G4VPA4_SCHMA Loading...

Ig-like domain-containing protein

AlphaFold DB , UniProt , Accession G4VPA4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 479 aa.

Structure Viewer

Loading PAE data...

(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	39.1	Very low	36	Very low	239 Å²	239	165.6 Å²	165.6	100%	1.177	83%	0.832	S	S	*	*				0	136.5	0	-97	163.3	145.1	0	0	107.3
2	K	37.2	Very low	35.9	Very low	196 Å²	196	162.8 Å²	162.8	85%	0.852	82%	0.821	S	S	*	*			trans	-71.3	127.9	-176.4	-73.3	173.9	172.2	179.6	0	110.1
3	D	38.2	Very low	36	Very low	155 Å²	155	160 Å²	160	83%	0.829	81%	0.81	S	S	*	*			trans	-92.2	104	164.2	-75	-36.2	0	0	0	108.8	H5	D3-H5 PolarHBondContact O-N 3.19Å
4	E	40.3	Very low	35.9	Very low	161 Å²	161	157.5 Å²	157.5	75%	0.752	80%	0.8	S	S	*	*			trans	-76.9	100.1	172	-71.7	-178.9	167.3	0	0	109.5	K6	E4-K6 PolarHBondContact O-N 3.4Å
5	H	37.5	Very low	36	Very low	184 Å²	184	154.8 Å²	154.8	85%	0.852	79%	0.787	S	S	*	*			trans	-71.5	96.6	165.1	-86.5	-40.3	0	0	0	110.2	D3 I7	D3-H5 PolarHBondContact O-N 3.19Å; H5-I7 PolarHBondContact O-N 2.9Å
6	K	35.9	Very low	36.4	Very low	187 Å²	187	149.6 Å²	149.6	81%	0.813	77%	0.769	S	S	*	*			trans	-63.5	113.9	164.5	-76.7	179.5	176.9	176.8	0	109.9	E4 P8	E4-K6 PolarHBondContact O-N 3.4Å; K6-P8 WeakPolarHBondContact O-CD 3.12Å
7	I	35.1	Very low	36.4	Very low	157 Å²	157	144 Å²	144	81%	0.805	75%	0.75	S	S	*	*			trans	-79	119	161.7	-61.7	171.4	0	0	0	107	H5 T9	H5-I7 PolarHBondContact O-N 2.9Å; I7-T9 PolarHBondContact O-N 3.08Å
8	P	36	Very low	36.3	Very low	115 Å²	115	144.8 Å²	144.8	75%	0.747	74%	0.742	S	S	*	*			trans	-77.3	118.7	-178.9	28.7	-30.4	0	0	0	110.9	K6 N10	K6-P8 WeakPolarHBondContact O-CD 3.12Å; P8-N10 PolarHBondContact O-N 2.92Å; P8-N10 VanDerWaalsContact O-N 3.16Å
9	T	31.9	Very low	36.3	Very low	135 Å²	135	140.4 Å²	140.4	83%	0.828	73%	0.726	S	S	*	*			trans	-67.2	99.7	168	44.2	0	0	0	0	110	I7	I7-T9 PolarHBondContact O-N 3.08Å
10	N	32.3	Very low	36.1	Very low	136 Å²	136	142.8 Å²	142.8	73%	0.727	73%	0.725	S	S	*	*			trans	-97.7	80	169.1	-161.7	2.4	0	0	0	108.3	P8	P8-N10 PolarHBondContact O-N 2.92Å; P8-N10 VanDerWaalsContact O-N 3.16Å
11	M	32.8	Very low	36.1	Very low	157 Å²	157	143.3 Å²	143.3	77%	0.773	72%	0.722	S	S	*	*			trans	-116.6	4.3	178.5	-94.2	-142.8	177.3	0	0	114.9
12	D	34.3	Very low	35.7	Very low	131 Å²	131	136.6 Å²	136.6	70%	0.701	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-9.8	-172.1	-69.4	-24.1	0	0	0	115.3
13	N	37	Very low	35.3	Very low	127 Å²	127	135.5 Å²	135.5	68%	0.679	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	-10.1	-178.2	-78.7	-12.8	0	0	0	115.5
14	N	34.9	Very low	34.8	Very low	125 Å²	125	135 Å²	135	67%	0.668	68%	0.679	S	S	*	*	H	α-helix	trans	-90.1	-19.6	-179.1	-94.3	-15	0	0	0	114.2	W18	N14-W18 PolarHBondContact O-N 3.42Å
15	I	37.2	Very low	34.3	Very low	117 Å²	117	130.9 Å²	130.9	60%	0.6	66%	0.664	S	S	*	*	H	α-helix	trans	-76.5	-31.7	-175	-59.4	171.1	0	0	0	111.2	S19	I15-S19 PolarHBondContact O-N 3.27Å; I15-S19 VanDerWaalsContact O-N 3.12Å; I15-S19 PolarHBondContact O-OG 3.36Å
16	S	43.1	Very low	34	Very low	72 Å²	72	127.5 Å²	127.5	50%	0.503	65%	0.651	S	S	.	*	H	α-helix	trans	-73.4	-37.7	-179.7	66	0	0	0	0	112.9	S19 R20	S16-S19 PolarHBondContact O-OG 3.24Å; S16-S19 VanDerWaalsContact O-OG 3.11Å; S16-R20 PolarHBondContact O-N 2.84Å; S16-R20 VanDerWaalsContact O-N 3.13Å
17	A	36.1	Very low	33.9	Very low	54 Å²	54	121.6 Å²	121.6	45%	0.446	63%	0.633	S	S	.	*	H	α-helix	trans	-69	-35	175.8	0	0	0	0	0	112.3	K21	A17-K21 WeakPolarHBondContact O-CB 3.46Å; A17-K21 PolarHBondContact O-N 3Å; A17-K21 VanDerWaalsContact O-N 3.12Å
18	W	35.5	Very low	33.8	Very low	158 Å²	158	118.6 Å²	118.6	60%	0.598	62%	0.622	S	S	*	*	H	α-helix	trans	-69.4	-41.9	175.7	-94.4	75.1	0	0	0	112.8	N14 K21 L22	N14-W18 PolarHBondContact O-N 3.42Å; W18-K21 PolarHBondContact O-N 2.73Å; W18-L22 WeakPolarHBondContact O-CB 3.27Å; W18-L22 PolarHBondContact O-N 3.39Å
19	S	36.4	Very low	34	Very low	62 Å²	62	119.8 Å²	119.8	43%	0.434	62%	0.622	S	S	.	*	H	α-helix	trans	-71.3	-34.6	179.1	60	0	0	0	0	113.3	I15 S16 K23	I15-S19 PolarHBondContact O-N 3.27Å; I15-S19 VanDerWaalsContact O-N 3.12Å; I15-S19 PolarHBondContact O-OG 3.36Å; S16-S19 PolarHBondContact O-OG 3.24Å; S16-S19 VanDerWaalsContact O-OG 3.11Å; S19-K23 PolarHBondContact O-N 2.97Å
20	R	32.4	Very low	34.2	Very low	188 Å²	188	115 Å²	115	71%	0.709	59%	0.591	S	S	*	*	H	α-helix	trans	-67	-44.1	171.3	-102.3	-174.9	-173.3	156.8	2.8	112.4	S16 L22 K23 E24	S16-R20 PolarHBondContact O-N 2.84Å; S16-R20 VanDerWaalsContact O-N 3.13Å; R20-L22 VanDerWaalsContact C-N 3.33Å; R20-L22 PolarHBondContact O-N 3.25Å; R20-K23 PolarHBondContact O-N 2.86Å; R20-E24 PolarHBondContact O-N 2.85Å
21	K	34.5	Very low	34.7	Very low	154 Å²	154	110.1 Å²	110.1	67%	0.67	57%	0.568	S	S	*	*	H	α-helix	trans	-64.6	-34.7	175.7	-87.1	-174.9	174	-178.2	0	112.9	A17 W18 V25	A17-K21 WeakPolarHBondContact O-CB 3.46Å; A17-K21 PolarHBondContact O-N 3Å; A17-K21 VanDerWaalsContact O-N 3.12Å; W18-K21 PolarHBondContact O-N 2.73Å; K21-V25 WeakPolarHBondContact O-CB 3.49Å; K21-V25 WeakPolarHBondContact O-CG2 3.39Å; K21-V25 PolarHBondContact O-N 3.44Å
22	L	31.1	Very low	35.6	Very low	97 Å²	97	108.6 Å²	108.6	51%	0.508	56%	0.563	S	S	.	*	H	α-helix	trans	-62.7	-48.9	170.7	-97.5	147	0	0	0	110.5	W18 R20 I26	W18-L22 WeakPolarHBondContact O-CB 3.27Å; W18-L22 PolarHBondContact O-N 3.39Å; R20-L22 VanDerWaalsContact C-N 3.33Å; R20-L22 PolarHBondContact O-N 3.25Å; L22-I26 HydrophobicContact CB-CD1 4.2Å; L22-I26 HydrophobicContact CD2-CD1 3.7Å; L22-I26 HydrophobicContact CD2-CG1 4.27Å; L22-I26 WeakPolarHBondContact O-CB 3.44Å; L22-I26 WeakPolarHBondContact O-CD1 3.42Å; L22-I26 WeakPolarHBondContact O-CG1 3.3Å; L22-I26 PolarHBondContact O-N 3.15Å
23	K	28.1	Very low	36.9	Very low	174 Å²	174	104.1 Å²	104.1	76%	0.757	54%	0.538	S	S	*	.	H	α-helix	trans	-70.6	-35.2	-177.3	-76.7	-174.5	175.7	-176	0	115.1	S19 R20	S19-K23 PolarHBondContact O-N 2.97Å; R20-K23 PolarHBondContact O-N 2.86Å
24	E	29.1	Very low	38.4	Very low	145 Å²	145	101.8 Å²	101.8	68%	0.678	53%	0.528	S	S	*	.	H	α-helix	trans	-79.5	-22.7	178.2	-84.9	178.3	155	0	0	113.5	R20	R20-E24 PolarHBondContact O-N 2.85Å
25	V	29.9	Very low	40.4	Very low	73 Å²	73	96.9 Å²	96.9	44%	0.442	50%	0.5	S	S	.	.	H	α-helix	trans	-102.9	-17.1	-176.7	-175.7	0	0	0	0	112.6	K21 S27	K21-V25 WeakPolarHBondContact O-CB 3.49Å; K21-V25 WeakPolarHBondContact O-CG2 3.39Å; K21-V25 PolarHBondContact O-N 3.44Å; V25-S27 PolarHBondContact O-N 2.77Å; V25-S27 VanDerWaalsContact O-N 3.14Å
26	I	31.4	Very low	42.4	Very low	113 Å²	113	92.1 Å²	92.1	58%	0.579	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-16.5	176.2	-81.7	166.1	0	0	0	113.2	L22	L22-I26 HydrophobicContact CB-CD1 4.2Å; L22-I26 HydrophobicContact CD2-CD1 3.7Å; L22-I26 HydrophobicContact CD2-CG1 4.27Å; L22-I26 WeakPolarHBondContact O-CB 3.44Å; L22-I26 WeakPolarHBondContact O-CD1 3.42Å; L22-I26 WeakPolarHBondContact O-CG1 3.3Å; L22-I26 PolarHBondContact O-N 3.15Å
27	S	32.4	Very low	44	Very low	64 Å²	64	90.4 Å²	90.4	45%	0.448	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-5.9	-161.2	59.6	0	0	0	0	119.3	V25 S31	V25-S27 PolarHBondContact O-N 2.77Å; V25-S27 VanDerWaalsContact O-N 3.14Å; S27-S31 PolarHBondContact O-OG 2.65Å
28	T	33.2	Very low	46	Very low	93 Å²	93	88.8 Å²	88.8	57%	0.571	45%	0.454	S	S	*	.	S	Bend	trans	-114.9	-28.1	-165.2	44.4	0	0	0	0	120
29	D	40.6	Very low	48.4	Very low	140 Å²	140	83.7 Å²	83.7	75%	0.749	44%	0.436	S	S	*	.	S	Bend	trans	-115.2	-23.2	-172.1	-91.8	-14.8	0	0	0	117.6
30	L	35.7	Very low	50.8	Low	34 Å²	34	85 Å²	85	18%	0.178	43%	0.432	C	S	.	.	S	Bend	trans	-111.1	-32	173.9	-101.3	87.9	0	0	0	113.5	N32 K33 L299	L30-N32 PolarHBondContact O-N 2.84Å; L30-N32 VanDerWaalsContact O-N 3.11Å; L30-K33 PolarHBondContact O-N 3.32Å; L30-K33 VanDerWaalsContact O-N 3.09Å; L30-L299 HydrophobicContact CD1-CD1 4.46Å; L30-L299 HydrophobicContact CD2-CD1 3.91Å; L30-L299 HydrophobicContact CD2-CG 4.21Å
31	S	44.1	Very low	53.5	Low	35 Å²	35	78.5 Å²	78.5	25%	0.245	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-16.8	-177	41.6	0	0	0	0	114.2	S27	S27-S31 PolarHBondContact O-OG 2.65Å
32	N	51.7	Low	56	Low	124 Å²	124	75.1 Å²	75.1	66%	0.663	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-0.6	178.3	-75.3	0.4	0	0	0	113.9	L30 T34	L30-N32 PolarHBondContact O-N 2.84Å; L30-N32 VanDerWaalsContact O-N 3.11Å; N32-T34 PolarHBondContact O-N 3.26Å; N32-T34 VanDerWaalsContact O-N 3.12Å
33	K	60.1	Low	58.7	Low	38 Å²	38	71 Å²	71	17%	0.165	38%	0.376	C	S	.	.			trans	-80.3	98.3	179.2	-67.9	-170.3	-179.7	-174.4	0	109.6	L30 T158	L30-K33 PolarHBondContact O-N 3.32Å; L30-K33 VanDerWaalsContact O-N 3.09Å; K33-T158 PolarHBondContact NZ-O 3.21Å
34	T	69.6	Low	61.4	Low	77 Å²	77	68 Å²	68	47%	0.472	36%	0.363	S	S	.	.			trans	-92.2	138.3	172.1	68.7	0	0	0	0	110.3	N32 K59	N32-T34 PolarHBondContact O-N 3.26Å; N32-T34 VanDerWaalsContact O-N 3.12Å; T34-K59 PolarHBondContact O-NZ 2.8Å
35	W	77.1	Confident	63.9	Low	23 Å²	23	64 Å²	64	9%	0.087	35%	0.346	C	S	.	.			trans	-129.4	161.4	176.2	58.8	-91.7	0	0	0	110.6	G37 P38 K59 L160 L161 I163 A227 N231	W35-G37 VanDerWaalsContact CZ3-O 3.3Å; W35-G37 WeakPolarHBondContact CZ3-O 3.19Å; W35-P38 HydrophobicContact CH2-CG 3.7Å; W35-P38 HydrophobicContact CZ3-CB 4.47Å; W35-P38 HydrophobicContact CZ3-CG 3.97Å; W35-K59 PolarHBondContact O-NZ 2.95Å; W35-L160 HydrophobicContact CB-CB 4.19Å; W35-L160 HydrophobicContact CB-CD2 3.75Å; W35-L160 HydrophobicContact CB-CG 3.64Å; W35-L160 HydrophobicContact CD2-CD2 3.9Å; W35-L160 HydrophobicContact CG-CD2 3.46Å; W35-L160 VanDerWaalsContact CG-CD2 3.46Å; W35-L160 HydrophobicContact CG-CG 3.95Å; W35-L161 CarbonylContact C-O 3.56Å; W35-L161 WeakPolarHBondContact CA-O 3.25Å; W35-I163 HydrophobicContact CD2-CD1 4.43Å; W35-I163 HydrophobicContact CE3-CB 4.12Å; W35-I163 HydrophobicContact CE3-CD1 4.12Å; W35-I163 HydrophobicContact CE3-CG1 3.97Å; W35-I163 HydrophobicContact CH2-CD1 4.39Å; W35-I163 HydrophobicContact CZ3-CB 3.87Å; W35-I163 HydrophobicContact CZ3-CD1 4.08Å; W35-I163 HydrophobicContact CZ3-CG1 4.1Å; W35-A227 HydrophobicContact CD2-CB 4.39Å; W35-A227 HydrophobicContact CZ2-CB 3.93Å; W35-A227 PolarHBondContact NE1-O 2.91Å; W35-N231 VanDerWaalsContact CZ2-ND2 3.27Å; W35-N231 WeakPolarHBondContact CZ2-ND2 3.48Å; W35-N231 PolarHBondContact NE1-ND2 3.41Å; W35-N231 PolarHBondContact NE1-OD1 3.2Å
36	E	78.1	Confident	66.4	Low	16 Å²	16	62.5 Å²	62.5	8%	0.075	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	139	-176	-62.4	-170.1	170.7	0	0	112.4	F39 I55 N56 K59 L161 S162 I163	E36-F39 HydrophobicContact CB-CE2 3.78Å; E36-F39 HydrophobicContact CB-CZ 3.93Å; E36-I55 WeakPolarHBondContact OE2-CA 3.44Å; E36-I55 WeakPolarHBondContact OE2-CB 3.39Å; E36-I55 PolarHBondContact OE2-N 3.29Å; E36-N56 WeakPolarHBondContact OE1-CA 3.32Å; E36-N56 WeakPolarHBondContact OE1-CB 3Å; E36-N56 PolarHBondContact OE1-N 3.01Å; E36-N56 PolarHBondContact OE2-N 3.39Å; E36-K59 HydrophobicContact CG-CD 3.65Å; E36-K59 VanDerWaalsContact CG-CE 3.48Å; E36-K59 VanDerWaalsContact CG-NZ 3.27Å; E36-K59 WeakPolarHBondContact OE1-CD 2.84Å; E36-L161 PolarHBondContact N-O 3.37Å; E36-S162 CarbonylContact O-C 3.58Å; E36-S162 VanDerWaalsContact O-CA 3.26Å; E36-S162 WeakPolarHBondContact O-CA 3.09Å; E36-I163 PolarHBondContact O-N 2.91Å
37	G	76.6	Confident	69	Low	36 Å²	36	59 Å²	59	37%	0.371	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	105.1	-156.4	179.5	0	0	0	0	0	112.8	W35	W35-G37 VanDerWaalsContact CZ3-O 3.3Å; W35-G37 WeakPolarHBondContact CZ3-O 3.19Å
38	P	78.7	Confident	71.6	Confident	20 Å²	20	61.8 Å²	61.8	13%	0.13	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	cis	-73.7	142.3	9.6	-9.4	26.2	0	0	0	111.7	W35 Y40 I163 M165 F224 W351	W35-P38 HydrophobicContact CH2-CG 3.7Å; W35-P38 HydrophobicContact CZ3-CB 4.47Å; W35-P38 HydrophobicContact CZ3-CG 3.97Å; P38-Y40 HydrophobicContact CB-CE1 4.07Å; P38-Y40 PolarHBondContact O-OH 3.09Å; P38-I163 WeakPolarHBondContact CA-O 3.25Å; P38-I163 HydrophobicContact CB-CG2 4.14Å; P38-M165 HydrophobicContact CB-CE 4.02Å; P38-M165 HydrophobicContact CB-CG 4.49Å; P38-M165 HydrophobicContact CG-CE 4.29Å; P38-F224 HydrophobicContact CG-CD2 4.27Å; P38-F224 HydrophobicContact CG-CE2 3.78Å; P38-W351 HydrophobicContact CB-CE3 4.47Å; P38-W351 HydrophobicContact CB-CZ3 3.72Å; P38-W351 HydrophobicContact CG-CE3 4.24Å; P38-W351 HydrophobicContact CG-CH2 3.78Å; P38-W351 HydrophobicContact CG-CZ3 3.35Å
39	F	84.8	Confident	74.3	Confident	52 Å²	52	58.1 Å²	58.1	23%	0.228	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	149.6	173.6	-58.8	-69.8	0	0	0	110.7	E36 Y41 I55 I163 H164 M165	E36-F39 HydrophobicContact CB-CE2 3.78Å; E36-F39 HydrophobicContact CB-CZ 3.93Å; F39-Y41 HydrophobicContact CB-CE2 3.63Å; F39-I55 HydrophobicContact CD1-CD1 4Å; F39-I55 HydrophobicContact CD2-CD1 4.22Å; F39-I55 HydrophobicContact CE1-CD1 3.41Å; F39-I55 VanDerWaalsContact CE1-CD1 3.41Å; F39-I55 HydrophobicContact CE2-CD1 3.65Å; F39-I55 HydrophobicContact CE2-CG1 4.2Å; F39-I55 HydrophobicContact CG-CD1 4.37Å; F39-I55 HydrophobicContact CZ-CD1 3.21Å; F39-I55 HydrophobicContact CZ-CG1 3.95Å; F39-I163 WeakPolarHBondContact CD2-O 3.43Å; F39-I163 PolarHBondContact N-O 2.68Å; F39-H164 AromaticContact CD2-CE1 3.51Å; F39-H164 AromaticContact CD2-ND1 3.8Å; F39-H164 CarbonylContact O-C 3.57Å; F39-H164 WeakPolarHBondContact O-CA 3.47Å; F39-M165 PolarHBondContact O-N 2.66Å
40	Y	87.7	Confident	76.6	Confident	90 Å²	90	53.9 Å²	53.9	35%	0.353	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	138.5	-176.5	-40.3	-64.2	0	0	0	111.2	P38 M165 V255 V256 W351	P38-Y40 HydrophobicContact CB-CE1 4.07Å; P38-Y40 PolarHBondContact O-OH 3.09Å; Y40-M165 WeakPolarHBondContact CA-O 3.31Å; Y40-M165 HydrophobicContact CD1-CB 4.21Å; Y40-M165 HydrophobicContact CD1-SD 4.21Å; Y40-M165 HydrophobicContact CE1-SD 4.08Å; Y40-V255 HydrophobicContact CD1-CB 4.37Å; Y40-V255 HydrophobicContact CD1-CG1 3.74Å; Y40-V255 HydrophobicContact CG-CG1 4.3Å; Y40-V256 HydrophobicContact CD1-CB 4.39Å; Y40-V256 HydrophobicContact CD1-CG2 3.4Å; Y40-V256 VanDerWaalsContact CD1-CG2 3.4Å; Y40-V256 HydrophobicContact CD2-CG2 4.31Å; Y40-V256 HydrophobicContact CE1-CB 4.23Å; Y40-V256 HydrophobicContact CE1-CG2 3.08Å; Y40-V256 HydrophobicContact CE2-CB 4.44Å; Y40-V256 HydrophobicContact CE2-CG2 4.04Å; Y40-V256 HydrophobicContact CG-CG2 4.02Å; Y40-V256 VanDerWaalsContact CZ-CG2 3.44Å; Y40-W351 HydrophobicContact CD1-CZ3 4.49Å; Y40-W351 AromaticContact CE1-CE3 3.52Å; Y40-W351 HydrophobicContact CE1-CE3 3.52Å; Y40-W351 HydrophobicContact CE1-CH2 4.2Å; Y40-W351 AromaticContact CE1-CZ3 3.18Å; Y40-W351 HydrophobicContact CE1-CZ3 3.18Å; Y40-W351 AromaticContact CZ-CH2 3.87Å; Y40-W351 AromaticContact CZ-CZ3 3.3Å; Y40-W351 WeakPolarHBondContact OH-CH2 3.22Å; Y40-W351 WeakPolarHBondContact OH-CZ3 3.27Å
41	Y	89.5	Confident	79.2	Confident	50 Å²	50	52.2 Å²	52.2	20%	0.196	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	121.2	177.4	-54.2	-89	0	0	0	109.4	F39 I49 L51 H164 M165 V166 R167	F39-Y41 HydrophobicContact CB-CE2 3.63Å; Y41-I49 VanDerWaalsContact CB-CD1 3.41Å; Y41-I49 HydrophobicContact CD1-CD1 3.49Å; Y41-I49 VanDerWaalsContact CD1-CD1 3.49Å; Y41-I49 HydrophobicContact CD1-CG1 4.47Å; Y41-I49 HydrophobicContact CD2-CD1 4.27Å; Y41-I49 HydrophobicContact CE1-CD1 4.3Å; Y41-I49 HydrophobicContact CG-CD1 3.45Å; Y41-I49 VanDerWaalsContact CG-CD1 3.45Å; Y41-L51 HydrophobicContact CD1-CD2 4.47Å; Y41-L51 HydrophobicContact CD2-CD2 3.76Å; Y41-L51 HydrophobicContact CE1-CD2 4.36Å; Y41-L51 HydrophobicContact CE2-CD2 3.69Å; Y41-L51 HydrophobicContact CG-CD2 4.16Å; Y41-H164 HydrophobicContact CD2-CB 4.26Å; Y41-H164 HydrophobicContact CE2-CB 3.78Å; Y41-H164 AromaticContact CE2-CG 3.92Å; Y41-H164 AromaticContact CE2-ND1 3.31Å; Y41-H164 VanDerWaalsContact CE2-ND1 3.31Å; Y41-H164 WeakPolarHBondContact CE2-ND1 3.32Å; Y41-H164 AromaticContact CZ-ND1 3.62Å; Y41-H164 PolarHBondContact OH-ND1 3.4Å; Y41-H164 VanDerWaalsContact OH-ND1 3.11Å; Y41-M165 PolarHBondContact N-O 2.88Å; Y41-V166 HydrophobicContact CD2-CG2 4.25Å; Y41-R167 PolarHBondContact O-N 2.92Å
42	D	86.7	Confident	81.2	Confident	83 Å²	83	52.5 Å²	52.5	44%	0.444	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	118.8	162.9	-73.3	-56.1	0	0	0	107.2	H169 V255	D42-H169 IonicContact OD1-CD2 2.68Å; D42-H169 IonicContact OD1-CE1 3.75Å; D42-H169 IonicContact OD1-NE2 2.88Å; D42-H169 PolarHBondContact OD1-NE2 2.79Å; D42-V255 WeakPolarHBondContact OD1-CG2 2.73Å
43	V	87.4	Confident	82.7	Confident	10 Å²	10	46.6 Å²	46.6	6%	0.061	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	144	-170.4	-172.7	0	0	0	0	109	S47 I49 V129 V166 R167 V168 H169	V43-S47 WeakPolarHBondContact CG1-OG 3.28Å; V43-I49 HydrophobicContact CG1-CB 4.3Å; V43-I49 HydrophobicContact CG1-CG2 4.35Å; V43-I49 HydrophobicContact CG2-CB 4.23Å; V43-I49 HydrophobicContact CG2-CD1 3.41Å; V43-I49 VanDerWaalsContact CG2-CD1 3.41Å; V43-I49 HydrophobicContact CG2-CG1 4.37Å; V43-I49 HydrophobicContact CG2-CG2 4.41Å; V43-V129 HydrophobicContact CB-CG1 4.35Å; V43-V129 HydrophobicContact CG1-CB 4.03Å; V43-V129 HydrophobicContact CG1-CG1 3.8Å; V43-V129 HydrophobicContact CG1-CG2 3.83Å; V43-V166 HydrophobicContact CG2-CG1 4.03Å; V43-R167 PolarHBondContact N-O 2.85Å; V43-V168 CarbonylContact O-C 3.16Å; V43-V168 VanDerWaalsContact O-CA 3.25Å; V43-V168 WeakPolarHBondContact O-CA 2.97Å; V43-H169 PolarHBondContact O-N 3.19Å
44	F	84.7	Confident	83.6	Confident	112 Å²	112	45.2 Å²	45.2	49%	0.491	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	151.4	175.9	-70	-74.8	0	0	0	111.3	G46 S47 H169 N171	F44-G46 PolarHBondContact O-N 3.3Å; F44-S47 PolarHBondContact N-OG 3.38Å; F44-S47 WeakPolarHBondContact O-CB 3.32Å; F44-S47 PolarHBondContact O-N 3.21Å; F44-S47 VanDerWaalsContact O-N 3.17Å; F44-S47 PolarHBondContact O-OG 3.07Å; F44-H169 WeakPolarHBondContact CA-O 3.36Å; F44-H169 HydrophobicContact CD1-CB 3.95Å; F44-H169 HydrophobicContact CE1-CB 4.08Å; F44-N171 WeakPolarHBondContact CE1-OD1 3.31Å
45	I	82.1	Confident	83.6	Confident	60 Å²	60	46 Å²	46	31%	0.308	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	140.6	170.2	-50.8	164.1	0	0	0	110.1	S47 V129 V168 H169 F195	I45-S47 PolarHBondContact O-N 3.45Å; I45-S47 VanDerWaalsContact O-N 3.12Å; I45-V129 CarbonylContact C-O 3.57Å; I45-V129 VanDerWaalsContact CA-O 3.26Å; I45-V129 WeakPolarHBondContact CA-O 3.3Å; I45-V129 WeakPolarHBondContact CG2-O 3.48Å; I45-V168 HydrophobicContact CG1-CG1 4.11Å; I45-H169 PolarHBondContact N-O 3.18Å; I45-H169 VanDerWaalsContact N-O 3.08Å; I45-F195 HydrophobicContact CD1-CD1 3.96Å; I45-F195 HydrophobicContact CD1-CE1 2.99Å; I45-F195 HydrophobicContact CD1-CE2 4.26Å; I45-F195 HydrophobicContact CD1-CZ 3.23Å; I45-F195 HydrophobicContact CG1-CE1 3.38Å; I45-F195 HydrophobicContact CG1-CZ 3.43Å; I45-F195 VanDerWaalsContact CG1-CZ 3.43Å
46	G	81.9	Confident	83.3	Confident	43 Å²	43	48.8 Å²	48.8	44%	0.443	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.2	-4	175.3	0	0	0	0	0	113.7	F44 D128 V129	F44-G46 PolarHBondContact O-N 3.3Å; G46-D128 WeakPolarHBondContact CA-OD1 3.43Å; G46-V129 PolarHBondContact N-O 2.78Å
47	S	85.8	Confident	82.9	Confident	39 Å²	39	53.7 Å²	53.7	27%	0.273	30%	0.299	S	S	.	.			trans	-78.2	174.5	172.5	73.6	0	0	0	0	111.2	V43 F44 I45 D128 V129	V43-S47 WeakPolarHBondContact CG1-OG 3.28Å; F44-S47 PolarHBondContact N-OG 3.38Å; F44-S47 WeakPolarHBondContact O-CB 3.32Å; F44-S47 PolarHBondContact O-N 3.21Å; F44-S47 VanDerWaalsContact O-N 3.17Å; F44-S47 PolarHBondContact O-OG 3.07Å; I45-S47 PolarHBondContact O-N 3.45Å; I45-S47 VanDerWaalsContact O-N 3.12Å; S47-D128 PolarHBondContact O-N 3.04Å; S47-V129 WeakPolarHBondContact O-CG2 3.23Å; S47-V129 PolarHBondContact O-N 3.2Å
48	M	88	Confident	82.4	Confident	123 Å²	123	54.7 Å²	54.7	61%	0.606	30%	0.3	S	S	*	.			trans	-116	136.3	176.5	179.3	-171.4	177.7	0	0	108.7	S125 I126 I127	M48-S125 WeakPolarHBondContact CE-OG 3.5Å; M48-I126 VanDerWaalsContact CA-O 3.31Å; M48-I126 WeakPolarHBondContact CA-O 3.49Å; M48-I127 HydrophobicContact CE-CG1 4.42Å; M48-I127 HydrophobicContact CG-CG1 4.27Å
49	I	89.8	Confident	81.8	Confident	16 Å²	16	55.1 Å²	55.1	8%	0.082	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	142.2	174	-179.1	166.9	0	0	0	110.7	Y41 V43 L51 S125 I126 V129	Y41-I49 VanDerWaalsContact CB-CD1 3.41Å; Y41-I49 HydrophobicContact CD1-CD1 3.49Å; Y41-I49 VanDerWaalsContact CD1-CD1 3.49Å; Y41-I49 HydrophobicContact CD1-CG1 4.47Å; Y41-I49 HydrophobicContact CD2-CD1 4.27Å; Y41-I49 HydrophobicContact CE1-CD1 4.3Å; Y41-I49 HydrophobicContact CG-CD1 3.45Å; Y41-I49 VanDerWaalsContact CG-CD1 3.45Å; V43-I49 HydrophobicContact CG1-CB 4.3Å; V43-I49 HydrophobicContact CG1-CG2 4.35Å; V43-I49 HydrophobicContact CG2-CB 4.23Å; V43-I49 HydrophobicContact CG2-CD1 3.41Å; V43-I49 VanDerWaalsContact CG2-CD1 3.41Å; V43-I49 HydrophobicContact CG2-CG1 4.37Å; V43-I49 HydrophobicContact CG2-CG2 4.41Å; I49-L51 HydrophobicContact CD1-CD2 3.58Å; I49-L51 HydrophobicContact CG1-CD2 3.85Å; I49-S125 WeakPolarHBondContact O-CA 3.49Å; I49-I126 HydrophobicContact CG2-CB 3.74Å; I49-I126 HydrophobicContact CG2-CD1 4.15Å; I49-I126 HydrophobicContact CG2-CG1 4.15Å; I49-I126 PolarHBondContact N-O 3.11Å; I49-I126 PolarHBondContact O-N 3.09Å; I49-V129 HydrophobicContact CG2-CG2 3.76Å
50	A	88.9	Confident	80.8	Confident	50 Å²	50	53 Å²	53	41%	0.413	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	124	169.8	0	0	0	0	0	110.1	Y123 L124	A50-Y123 HydrophobicContact CB-CD2 3.79Å; A50-Y123 HydrophobicContact CB-CE2 4.33Å; A50-Y123 HydrophobicContact CB-CG 4.33Å; A50-L124 CarbonylContact C-O 3.59Å; A50-L124 VanDerWaalsContact CA-O 3.31Å; A50-L124 WeakPolarHBondContact CA-O 3.17Å
51	L	90.1	Very high	79.6	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	111.7	176.9	-53.1	-179	0	0	0	109.2	Y41 I49 W82 Y123 L124 I126 Y137 H164 V166	Y41-L51 HydrophobicContact CD1-CD2 4.47Å; Y41-L51 HydrophobicContact CD2-CD2 3.76Å; Y41-L51 HydrophobicContact CE1-CD2 4.36Å; Y41-L51 HydrophobicContact CE2-CD2 3.69Å; Y41-L51 HydrophobicContact CG-CD2 4.16Å; I49-L51 HydrophobicContact CD1-CD2 3.58Å; I49-L51 HydrophobicContact CG1-CD2 3.85Å; L51-W82 HydrophobicContact CB-CH2 3.74Å; L51-W82 HydrophobicContact CB-CZ2 4.35Å; L51-W82 HydrophobicContact CB-CZ3 4.15Å; L51-W82 HydrophobicContact CD1-CZ3 4.41Å; L51-W82 WeakPolarHBondContact O-CH2 2.98Å; L51-W82 WeakPolarHBondContact O-CZ2 3.23Å; L51-Y123 CarbonylContact O-C 3.53Å; L51-Y123 WeakPolarHBondContact O-CA 3.3Å; L51-Y123 VanDerWaalsContact O-CB 3.22Å; L51-Y123 WeakPolarHBondContact O-CB 3.43Å; L51-L124 HydrophobicContact CB-CB 4.3Å; L51-L124 HydrophobicContact CD1-CD2 4.19Å; L51-L124 PolarHBondContact N-O 3.12Å; L51-L124 PolarHBondContact O-N 2.85Å; L51-I126 HydrophobicContact CD1-CD1 4.37Å; L51-Y137 HydrophobicContact CD1-CD1 4.23Å; L51-Y137 HydrophobicContact CD1-CD2 3.97Å; L51-Y137 HydrophobicContact CD1-CG 3.75Å; L51-H164 HydrophobicContact CD1-CB 4.12Å; L51-H164 HydrophobicContact CD2-CB 4.21Å; L51-V166 HydrophobicContact CD1-CG2 3.96Å; L51-V166 HydrophobicContact CD2-CG2 3.92Å
52	P	86	Confident	78.4	Confident	40 Å²	40	56.8 Å²	56.8	26%	0.26	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	136.2	179.5	29.4	-33.4	0	0	0	110.8	I55 H164	P52-I55 HydrophobicContact CB-CG1 4.4Å; P52-I55 HydrophobicContact CG-CD1 4.08Å; P52-I55 HydrophobicContact CG-CG1 4Å; P52-H164 PolarHBondContact O-CE1 2.92Å; P52-H164 PolarHBondContact O-NE2 3.03Å
53	C	83.6	Confident	77.5	Confident	0 Å²	0	53 Å²	53	0%	0	30%	0.296	C	S	.	.	S	Bend	trans	-75	-35.5	178.7	-179.5	0	0	0	0	113.2	L80 W82 A122 C139 L161 S162	C53-L80 HydrophobicContact CB-CD2 4.34Å; C53-W82 HydrophobicContact CB-CZ2 3.84Å; C53-A122 HydrophobicContact CB-CB 4.07Å; C53-A122 VanDerWaalsContact CB-O 3.22Å; C53-A122 WeakPolarHBondContact CB-O 3.36Å; C53-A122 PolarHBondContact N-O 2.85Å; C53-C139 HydrophobicContact CB-CB 3.81Å; C53-C139 WeakPolarHBondContact CB-SG 3.26Å; C53-C139 WeakPolarHBondContact SG-CB 3.44Å; C53-C139 CovalentContact SG-SG 2.02Å; C53-C139 PolarHBondContact SG-SG 3.38Å; C53-L161 WeakPolarHBondContact SG-CD1 3.43Å; C53-S162 WeakPolarHBondContact O-CB 3.48Å; C53-S162 PolarHBondContact O-OG 2.97Å
54	V	77.6	Confident	76.2	Confident	10 Å²	10	54.3 Å²	54.3	6%	0.061	30%	0.3	C	S	.	.			trans	-138.3	134.6	176.1	-175.6	0	0	0	0	108.2	N56 K59 I60 I119 L161	V54-N56 VanDerWaalsContact CG1-O 3.31Å; V54-N56 WeakPolarHBondContact CG1-O 3.36Å; V54-K59 HydrophobicContact CG1-CB 4.29Å; V54-I60 HydrophobicContact CB-CG1 4.28Å; V54-I60 HydrophobicContact CG1-CD1 4.17Å; V54-I60 HydrophobicContact CG1-CG1 3.63Å; V54-I119 HydrophobicContact CB-CG2 4.12Å; V54-I119 HydrophobicContact CG2-CG2 3.55Å; V54-L161 HydrophobicContact CG2-CB 4.41Å; V54-L161 HydrophobicContact CG2-CD1 4.34Å
55	I	70.6	Confident	75.3	Confident	92 Å²	92	53.4 Å²	53.4	47%	0.472	30%	0.3	S	S	.	.			trans	-105.8	-39	176.7	-52.5	-168.3	0	0	0	110.3	E36 F39 P52	E36-I55 WeakPolarHBondContact OE2-CA 3.44Å; E36-I55 WeakPolarHBondContact OE2-CB 3.39Å; E36-I55 PolarHBondContact OE2-N 3.29Å; F39-I55 HydrophobicContact CD1-CD1 4Å; F39-I55 HydrophobicContact CD2-CD1 4.22Å; F39-I55 HydrophobicContact CE1-CD1 3.41Å; F39-I55 VanDerWaalsContact CE1-CD1 3.41Å; F39-I55 HydrophobicContact CE2-CD1 3.65Å; F39-I55 HydrophobicContact CE2-CG1 4.2Å; F39-I55 HydrophobicContact CG-CD1 4.37Å; F39-I55 HydrophobicContact CZ-CD1 3.21Å; F39-I55 HydrophobicContact CZ-CG1 3.95Å; P52-I55 HydrophobicContact CB-CG1 4.4Å; P52-I55 HydrophobicContact CG-CD1 4.08Å; P52-I55 HydrophobicContact CG-CG1 4Å
56	N	71.6	Confident	74.4	Confident	83 Å²	83	53.6 Å²	53.6	44%	0.444	30%	0.303	S	S	.	.			trans	-92.9	116.7	-179.3	-168.5	-2.5	0	0	0	111.4	E36 V54 S58 K59	E36-N56 WeakPolarHBondContact OE1-CA 3.32Å; E36-N56 WeakPolarHBondContact OE1-CB 3Å; E36-N56 PolarHBondContact OE1-N 3.01Å; E36-N56 PolarHBondContact OE2-N 3.39Å; V54-N56 VanDerWaalsContact CG1-O 3.31Å; V54-N56 WeakPolarHBondContact CG1-O 3.36Å; N56-S58 VanDerWaalsContact CG-OG 3.31Å; N56-S58 PolarHBondContact ND2-OG 3.01Å; N56-S58 PolarHBondContact O-N 3.01Å; N56-S58 VanDerWaalsContact O-N 3.07Å; N56-S58 PolarHBondContact OD1-N 3.03Å; N56-S58 VanDerWaalsContact OD1-N 3.17Å; N56-S58 PolarHBondContact OD1-OG 3.09Å; N56-K59 PolarHBondContact O-N 2.92Å; N56-K59 VanDerWaalsContact O-N 3.12Å
57	D	67.8	Low	73.4	Confident	119 Å²	119	53.1 Å²	53.1	64%	0.636	29%	0.288	S	S	*	.	H	α-helix	trans	-54.4	-28.8	176.5	-66.1	-26.7	0	0	0	112.9	K59 I60 E61	D57-K59 VanDerWaalsContact C-N 3.29Å; D57-K59 PolarHBondContact O-N 3.17Å; D57-I60 VanDerWaalsContact O-CB 3.25Å; D57-I60 WeakPolarHBondContact O-CB 3.17Å; D57-I60 PolarHBondContact O-N 3.33Å; D57-I60 VanDerWaalsContact O-N 3.07Å; D57-E61 PolarHBondContact O-N 2.99Å
58	S	67	Low	72.2	Confident	57 Å²	57	56 Å²	56	40%	0.399	30%	0.3	S	S	.	.	H	α-helix	trans	-62.3	-33.7	-179.6	78.6	0	0	0	0	113.2	N56 I60 E61 D62	N56-S58 VanDerWaalsContact CG-OG 3.31Å; N56-S58 PolarHBondContact ND2-OG 3.01Å; N56-S58 PolarHBondContact O-N 3.01Å; N56-S58 VanDerWaalsContact O-N 3.07Å; N56-S58 PolarHBondContact OD1-N 3.03Å; N56-S58 VanDerWaalsContact OD1-N 3.17Å; N56-S58 PolarHBondContact OD1-OG 3.09Å; S58-I60 VanDerWaalsContact C-N 3.27Å; S58-E61 WeakPolarHBondContact O-CB 3.32Å; S58-E61 PolarHBondContact O-N 2.84Å; S58-D62 PolarHBondContact O-N 2.96Å
59	K	65.3	Low	70.9	Confident	28 Å²	28	54.1 Å²	54.1	12%	0.122	30%	0.296	C	S	.	.	H	α-helix	trans	-73.1	-27.7	177.8	-69.7	-160.3	-177.8	-169.5	0	112.2	T34 W35 E36 V54 N56 D57 E61 D62 I63	T34-K59 PolarHBondContact O-NZ 2.8Å; W35-K59 PolarHBondContact O-NZ 2.95Å; E36-K59 HydrophobicContact CG-CD 3.65Å; E36-K59 VanDerWaalsContact CG-CE 3.48Å; E36-K59 VanDerWaalsContact CG-NZ 3.27Å; E36-K59 WeakPolarHBondContact OE1-CD 2.84Å; V54-K59 HydrophobicContact CG1-CB 4.29Å; N56-K59 PolarHBondContact O-N 2.92Å; N56-K59 VanDerWaalsContact O-N 3.12Å; D57-K59 VanDerWaalsContact C-N 3.29Å; D57-K59 PolarHBondContact O-N 3.17Å; K59-E61 VanDerWaalsContact C-N 3.26Å; K59-D62 PolarHBondContact O-N 3.06Å; K59-I63 WeakPolarHBondContact O-CD1 3.25Å; K59-I63 WeakPolarHBondContact O-CG1 3.49Å; K59-I63 PolarHBondContact O-N 3.43Å; K59-I63 VanDerWaalsContact O-N 3.11Å
60	I	64.3	Low	69.4	Low	9 Å²	9	54.4 Å²	54.4	5%	0.046	30%	0.298	C	S	.	.	H	α-helix	trans	-63.7	-41	176.1	-45.6	-175.9	0	0	0	108.6	V54 D57 S58 I63 Y64 I119	V54-I60 HydrophobicContact CB-CG1 4.28Å; V54-I60 HydrophobicContact CG1-CD1 4.17Å; V54-I60 HydrophobicContact CG1-CG1 3.63Å; D57-I60 VanDerWaalsContact O-CB 3.25Å; D57-I60 WeakPolarHBondContact O-CB 3.17Å; D57-I60 PolarHBondContact O-N 3.33Å; D57-I60 VanDerWaalsContact O-N 3.07Å; S58-I60 VanDerWaalsContact C-N 3.27Å; I60-I63 WeakPolarHBondContact O-CB 3.34Å; I60-I63 PolarHBondContact O-N 3.18Å; I60-Y64 HydrophobicContact CB-CE2 4.06Å; I60-Y64 HydrophobicContact CG2-CD2 4.19Å; I60-Y64 HydrophobicContact CG2-CE1 4.46Å; I60-Y64 HydrophobicContact CG2-CE2 3.19Å; I60-Y64 WeakPolarHBondContact CG2-OH 3.19Å; I60-Y64 WeakPolarHBondContact O-CD2 3.41Å; I60-Y64 WeakPolarHBondContact O-CE2 3.35Å; I60-Y64 PolarHBondContact O-N 3.02Å; I60-I119 HydrophobicContact CG1-CG2 4.34Å; I60-I119 HydrophobicContact CG2-CB 4.24Å; I60-I119 HydrophobicContact CG2-CG2 4.18Å
61	E	63.6	Low	67.9	Low	128 Å²	128	54.5 Å²	54.5	60%	0.598	29%	0.294	S	S	*	.	H	α-helix	trans	-60.5	-46	175	-164.3	172.7	-173.2	0	0	113.4	D57 S58 K59 I63 Y64 I65	D57-E61 PolarHBondContact O-N 2.99Å; S58-E61 WeakPolarHBondContact O-CB 3.32Å; S58-E61 PolarHBondContact O-N 2.84Å; K59-E61 VanDerWaalsContact C-N 3.26Å; E61-I63 VanDerWaalsContact C-N 3.32Å; E61-I63 PolarHBondContact O-N 3.16Å; E61-Y64 WeakPolarHBondContact O-CB 3.49Å; E61-Y64 PolarHBondContact O-N 2.97Å; E61-Y64 VanDerWaalsContact O-N 3.07Å; E61-I65 HydrophobicContact CG-CD1 4.47Å; E61-I65 WeakPolarHBondContact O-CG1 3.45Å; E61-I65 PolarHBondContact O-N 3.2Å
62	D	64.6	Low	66	Low	90 Å²	90	61.5 Å²	61.5	48%	0.481	33%	0.331	S	S	.	.	H	α-helix	trans	-60	-42.7	176.6	-74.4	-26.8	0	0	0	112	S58 K59 Y64 I65 V66	S58-D62 PolarHBondContact O-N 2.96Å; K59-D62 PolarHBondContact O-N 3.06Å; D62-Y64 VanDerWaalsContact C-N 3.26Å; D62-Y64 PolarHBondContact O-N 3.34Å; D62-I65 PolarHBondContact O-N 2.66Å; D62-V66 WeakPolarHBondContact O-CG2 2.92Å; D62-V66 PolarHBondContact O-N 3.32Å
63	I	66	Low	64.5	Low	4 Å²	4	68 Å²	68	2%	0.021	36%	0.356	C	S	.	.	H	α-helix	trans	-60.5	-38.7	176	-66.9	164.2	0	0	0	110.4	K59 I60 E61 R67 I119 M141 L161	K59-I63 WeakPolarHBondContact O-CD1 3.25Å; K59-I63 WeakPolarHBondContact O-CG1 3.49Å; K59-I63 PolarHBondContact O-N 3.43Å; K59-I63 VanDerWaalsContact O-N 3.11Å; I60-I63 WeakPolarHBondContact O-CB 3.34Å; I60-I63 PolarHBondContact O-N 3.18Å; E61-I63 VanDerWaalsContact C-N 3.32Å; E61-I63 PolarHBondContact O-N 3.16Å; I63-R67 VanDerWaalsContact O-CB 3.3Å; I63-R67 WeakPolarHBondContact O-CB 3.4Å; I63-R67 PolarHBondContact O-N 2.92Å; I63-I119 HydrophobicContact CG2-CD1 3.93Å; I63-M141 HydrophobicContact CB-CE 4.2Å; I63-M141 HydrophobicContact CD1-CE 4.16Å; I63-M141 HydrophobicContact CG1-CE 3.72Å; I63-M141 HydrophobicContact CG2-CE 3.58Å; I63-M141 HydrophobicContact CG2-SD 3.5Å; I63-M141 VanDerWaalsContact CG2-SD 3.5Å; I63-L161 HydrophobicContact CD1-CD2 3.45Å; I63-L161 VanDerWaalsContact CD1-CD2 3.45Å; I63-L161 HydrophobicContact CG1-CD2 4.3Å
64	Y	61.8	Low	63	Low	37 Å²	37	71 Å²	71	15%	0.145	39%	0.386	C	S	.	.	H	α-helix	trans	-64.6	-46.3	175.7	-66.5	-48.4	0	0	0	113	I60 E61 D62 V66 R67 N68 I115 D116	I60-Y64 HydrophobicContact CB-CE2 4.06Å; I60-Y64 HydrophobicContact CG2-CD2 4.19Å; I60-Y64 HydrophobicContact CG2-CE1 4.46Å; I60-Y64 HydrophobicContact CG2-CE2 3.19Å; I60-Y64 WeakPolarHBondContact CG2-OH 3.19Å; I60-Y64 WeakPolarHBondContact O-CD2 3.41Å; I60-Y64 WeakPolarHBondContact O-CE2 3.35Å; I60-Y64 PolarHBondContact O-N 3.02Å; E61-Y64 WeakPolarHBondContact O-CB 3.49Å; E61-Y64 PolarHBondContact O-N 2.97Å; E61-Y64 VanDerWaalsContact O-N 3.07Å; D62-Y64 VanDerWaalsContact C-N 3.26Å; D62-Y64 PolarHBondContact O-N 3.34Å; Y64-V66 VanDerWaalsContact C-N 3.33Å; Y64-V66 PolarHBondContact O-N 3.04Å; Y64-R67 PolarHBondContact O-N 3.39Å; Y64-N68 WeakPolarHBondContact O-CB 3.39Å; Y64-N68 PolarHBondContact O-N 3.07Å; Y64-I115 HydrophobicContact CE1-CB 3.87Å; Y64-I115 HydrophobicContact CE1-CG2 3.86Å; Y64-I115 VanDerWaalsContact OH-C 3.25Å; Y64-I115 PolarHBondContact OH-O 2.89Å; Y64-D116 VanDerWaalsContact CE1-OD1 3.22Å; Y64-D116 WeakPolarHBondContact CE1-OD1 3.45Å; Y64-D116 VanDerWaalsContact CE2-OD1 3.27Å; Y64-D116 WeakPolarHBondContact CE2-OD1 3.34Å; Y64-D116 WeakPolarHBondContact OH-CA 3.38Å; Y64-D116 PolarHBondContact OH-N 2.02Å
65	I	64	Low	62	Low	94 Å²	94	79.8 Å²	79.8	48%	0.482	42%	0.423	S	S	.	.	H	α-helix	trans	-60.7	-46.2	179.6	-65.6	169	0	0	0	109.8	E61 D62 R67 T69	E61-I65 HydrophobicContact CG-CD1 4.47Å; E61-I65 WeakPolarHBondContact O-CG1 3.45Å; E61-I65 PolarHBondContact O-N 3.2Å; D62-I65 PolarHBondContact O-N 2.66Å; I65-R67 VanDerWaalsContact C-N 3.33Å; I65-R67 PolarHBondContact O-N 3.06Å; I65-T69 WeakPolarHBondContact O-CB 3.41Å; I65-T69 VanDerWaalsContact O-CG2 3.27Å; I65-T69 WeakPolarHBondContact O-CG2 3.49Å; I65-T69 PolarHBondContact O-N 3.34Å; I65-T69 VanDerWaalsContact O-N 3.15Å; I65-T69 PolarHBondContact O-OG1 3.35Å
66	V	65	Low	61.6	Low	63 Å²	63	80.6 Å²	80.6	38%	0.382	42%	0.423	S	S	.	.	H	α-helix	trans	-64.2	-38.7	177.9	176.9	0	0	0	0	111.1	D62 Y64 T69 T70 W78	D62-V66 WeakPolarHBondContact O-CG2 2.92Å; D62-V66 PolarHBondContact O-N 3.32Å; Y64-V66 VanDerWaalsContact C-N 3.33Å; Y64-V66 PolarHBondContact O-N 3.04Å; V66-T69 PolarHBondContact O-OG1 3.04Å; V66-T70 VanDerWaalsContact O-CB 3.3Å; V66-T70 WeakPolarHBondContact O-CB 3.3Å; V66-T70 PolarHBondContact O-N 3.11Å; V66-T70 PolarHBondContact O-OG1 2.73Å; V66-W78 HydrophobicContact CG1-CH2 3.87Å
67	R	59.8	Low	61.3	Low	34 Å²	34	78.8 Å²	78.8	13%	0.128	42%	0.417	C	S	.	.	H	α-helix	trans	-67.3	-54.4	177.6	-173.8	-175.9	-176.9	-144.1	2.9	111.8	I63 Y64 I65 T69 T70 T71 I112 P113 I115	I63-R67 VanDerWaalsContact O-CB 3.3Å; I63-R67 WeakPolarHBondContact O-CB 3.4Å; I63-R67 PolarHBondContact O-N 2.92Å; Y64-R67 PolarHBondContact O-N 3.39Å; I65-R67 VanDerWaalsContact C-N 3.33Å; I65-R67 PolarHBondContact O-N 3.06Å; R67-T69 PolarHBondContact O-N 3.39Å; R67-T70 CarbonylContact O-C 3.59Å; R67-T70 WeakPolarHBondContact O-CA 3.38Å; R67-T70 PolarHBondContact O-N 3.41Å; R67-T71 HydrophobicContact CG-CG2 3.88Å; R67-T71 PolarHBondContact O-N 3.46Å; R67-T71 PolarHBondContact O-OG1 2.81Å; R67-I112 PolarHBondContact NH1-O 3.07Å; R67-I112 PolarHBondContact NH2-O 3.36Å; R67-P113 PolarHBondContact NH1-O 3.01Å; R67-I115 VanDerWaalsContact NH1-CG1 3.32Å
68	N	61.7	Low	61.5	Low	99 Å²	99	74.5 Å²	74.5	53%	0.529	39%	0.392	S	S	.	.	H	α-helix	trans	-58.6	-36.8	-176.7	-81.6	-12.3	0	0	0	112.2	Y64 T70 N72	Y64-N68 WeakPolarHBondContact O-CB 3.39Å; Y64-N68 PolarHBondContact O-N 3.07Å; N68-T70 VanDerWaalsContact C-N 3.25Å; N68-T70 PolarHBondContact O-N 3.29Å; N68-N72 VanDerWaalsContact O-CG 3.32Å; N68-N72 PolarHBondContact O-ND2 3.04Å
69	T	60.3	Low	61.9	Low	84 Å²	84	72 Å²	72	52%	0.515	38%	0.375	S	S	.	.	H	α-helix	trans	-68.7	-24.2	174.2	53.4	0	0	0	0	113.1	I65 V66 R67	I65-T69 WeakPolarHBondContact O-CB 3.41Å; I65-T69 VanDerWaalsContact O-CG2 3.27Å; I65-T69 WeakPolarHBondContact O-CG2 3.49Å; I65-T69 PolarHBondContact O-N 3.34Å; I65-T69 VanDerWaalsContact O-N 3.15Å; I65-T69 PolarHBondContact O-OG1 3.35Å; V66-T69 PolarHBondContact O-OG1 3.04Å; R67-T69 PolarHBondContact O-N 3.39Å
70	T	58.9	Low	62.7	Low	21 Å²	21	72 Å²	72	13%	0.129	38%	0.376	C	S	.	.	H	α-helix	trans	-101.1	-35.8	-174.1	-51.7	0	0	0	0	114	V66 R67 N68 N72 K73 K76 W78	V66-T70 VanDerWaalsContact O-CB 3.3Å; V66-T70 WeakPolarHBondContact O-CB 3.3Å; V66-T70 PolarHBondContact O-N 3.11Å; V66-T70 PolarHBondContact O-OG1 2.73Å; R67-T70 CarbonylContact O-C 3.59Å; R67-T70 WeakPolarHBondContact O-CA 3.38Å; R67-T70 PolarHBondContact O-N 3.41Å; N68-T70 VanDerWaalsContact C-N 3.25Å; N68-T70 PolarHBondContact O-N 3.29Å; T70-N72 PolarHBondContact O-N 3.2Å; T70-K73 WeakPolarHBondContact O-CA 3.37Å; T70-K73 WeakPolarHBondContact O-CB 3.08Å; T70-K73 PolarHBondContact O-N 2.99Å; T70-K76 HydrophobicContact CG2-CB 4.09Å; T70-K76 HydrophobicContact CG2-CD 3.45Å; T70-K76 VanDerWaalsContact CG2-CD 3.45Å; T70-K76 HydrophobicContact CG2-CG 3.8Å; T70-W78 HydrophobicContact CG2-CZ2 4.13Å
71	T	55.5	Low	63.6	Low	53 Å²	53	71.6 Å²	71.6	33%	0.325	37%	0.374	S	S	.	.	H	α-helix	trans	-63.3	-32.8	173.3	41.5	0	0	0	0	111.3	R67 K73 G74	R67-T71 HydrophobicContact CG-CG2 3.88Å; R67-T71 PolarHBondContact O-N 3.46Å; R67-T71 PolarHBondContact O-OG1 2.81Å; T71-K73 PolarHBondContact O-N 2.84Å; T71-K73 VanDerWaalsContact O-N 3.08Å; T71-G74 PolarHBondContact O-N 3.46Å
72	N	52	Low	64.9	Low	146 Å²	146	65.6 Å²	65.6	78%	0.781	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-16.8	169.4	-74.8	-15	0	0	0	113.4	N68 T70	N68-N72 VanDerWaalsContact O-CG 3.32Å; N68-N72 PolarHBondContact O-ND2 3.04Å; T70-N72 PolarHBondContact O-N 3.2Å
73	K	54.4	Low	66	Low	178 Å²	178	61.3 Å²	61.3	77%	0.774	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	8.1	173.3	-62	-176	179.5	177.8	0	113.8	T70 T71 K75	T70-K73 WeakPolarHBondContact O-CA 3.37Å; T70-K73 WeakPolarHBondContact O-CB 3.08Å; T70-K73 PolarHBondContact O-N 2.99Å; T71-K73 PolarHBondContact O-N 2.84Å; T71-K73 VanDerWaalsContact O-N 3.08Å; K73-K75 PolarHBondContact O-N 3.11Å
74	G	51.1	Low	67.2	Low	61 Å²	61	61.4 Å²	61.4	63%	0.629	32%	0.323	S	S	*	.	S	Bend	trans	78.6	1	152.5	0	0	0	0	0	119.5	T71	T71-G74 PolarHBondContact O-N 3.46Å
75	K	57	Low	68.3	Low	196 Å²	196	60.2 Å²	60.2	85%	0.852	32%	0.32	S	S	*	.			trans	-143.5	8.1	-176.1	-70	-169.6	179.8	-179.2	0	117.7	K73	K73-K75 PolarHBondContact O-N 3.11Å
76	K	61.8	Low	69.2	Low	108 Å²	108	57 Å²	57	47%	0.47	31%	0.305	S	S	.	.			trans	-100.9	116.5	177.9	-59.3	-151.8	-161.7	173.1	0	111.1	T70	T70-K76 HydrophobicContact CG2-CB 4.09Å; T70-K76 HydrophobicContact CG2-CD 3.45Å; T70-K76 VanDerWaalsContact CG2-CD 3.45Å; T70-K76 HydrophobicContact CG2-CG 3.8Å
77	S	66.1	Low	70	Confident	45 Å²	45	54.6 Å²	54.6	32%	0.315	29%	0.288	S	S	.	.			trans	-81.9	144.6	164.4	51.4	0	0	0	0	109.3	T143 Y144 P145	S77-T143 CarbonylContact O-C 3.11Å; S77-T143 VanDerWaalsContact O-CA 3.23Å; S77-T143 WeakPolarHBondContact O-CA 3.16Å; S77-T143 VanDerWaalsContact O-O 3.06Å; S77-Y144 PolarHBondContact OG-O 2.96Å; S77-P145 WeakPolarHBondContact OG-CA 3.48Å; S77-P145 WeakPolarHBondContact OG-CB 3.34Å
78	W	72.4	Confident	71.1	Confident	30 Å²	30	57 Å²	57	11%	0.114	31%	0.307	C	S	.	.			trans	-118	133.4	178.9	-63	74.4	0	0	0	108.1	V66 T70 M141 V142 T143	V66-W78 HydrophobicContact CG1-CH2 3.87Å; T70-W78 HydrophobicContact CG2-CZ2 4.13Å; W78-M141 HydrophobicContact CE3-CE 4.22Å; W78-M141 HydrophobicContact CE3-CG 3.72Å; W78-M141 HydrophobicContact CE3-SD 3.46Å; W78-M141 HydrophobicContact CZ3-CE 3.86Å; W78-M141 HydrophobicContact CZ3-CG 4.18Å; W78-M141 HydrophobicContact CZ3-SD 3.73Å; W78-V142 VanDerWaalsContact CA-O 3.28Å; W78-V142 WeakPolarHBondContact CA-O 3.43Å; W78-T143 HydrophobicContact CD2-CG2 4.01Å; W78-T143 HydrophobicContact CE3-CG2 3.57Å; W78-T143 HydrophobicContact CH2-CG2 3.42Å; W78-T143 VanDerWaalsContact CH2-CG2 3.42Å; W78-T143 HydrophobicContact CZ2-CG2 3.87Å; W78-T143 HydrophobicContact CZ3-CG2 3.27Å
79	A	74.7	Confident	72.1	Confident	5 Å²	5	55.2 Å²	55.2	4%	0.041	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	144.9	174.4	0	0	0	0	0	110.6	W110 M141 V142 Y150	A79-W110 HydrophobicContact CB-CE3 3.87Å; A79-W110 HydrophobicContact CB-CH2 4.45Å; A79-W110 HydrophobicContact CB-CZ3 3.61Å; A79-M141 CarbonylContact O-C 3.51Å; A79-M141 WeakPolarHBondContact O-CA 3.46Å; A79-V142 HydrophobicContact CB-CG2 3.72Å; A79-V142 PolarHBondContact N-O 2.74Å; A79-V142 WeakPolarHBondContact O-CG2 3.48Å; A79-V142 PolarHBondContact O-N 2.85Å; A79-Y150 HydrophobicContact CB-CE1 3.92Å; A79-Y150 WeakPolarHBondContact CB-OH 3.17Å
80	L	80.9	Confident	73.2	Confident	28 Å²	28	52.5 Å²	52.5	15%	0.147	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	130.3	172.3	-163.6	74.1	0	0	0	108.5	C53 A122 V140 L161	C53-L80 HydrophobicContact CB-CD2 4.34Å; L80-A122 HydrophobicContact CD2-CB 3.45Å; L80-A122 VanDerWaalsContact CD2-CB 3.45Å; L80-V140 WeakPolarHBondContact CA-O 3.42Å; L80-L161 HydrophobicContact CD1-CD1 3.51Å
81	L	84.6	Confident	74.4	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	141.3	-179.8	-57.5	175.4	0	0	0	110	V90 P93 V140 V142 Y150 V153	L81-V90 HydrophobicContact CB-CG1 4.29Å; L81-V90 HydrophobicContact CD1-CG1 4.37Å; L81-V90 HydrophobicContact CD2-CG1 4.21Å; L81-P93 HydrophobicContact CD2-CB 4.43Å; L81-P93 HydrophobicContact CD2-CG 4.35Å; L81-V140 HydrophobicContact CB-CG2 3.9Å; L81-V140 PolarHBondContact N-O 2.9Å; L81-V140 PolarHBondContact O-N 3.04Å; L81-V142 HydrophobicContact CD1-CB 4.4Å; L81-V142 HydrophobicContact CD1-CG1 3.6Å; L81-V142 HydrophobicContact CD1-CG2 3.86Å; L81-V142 HydrophobicContact CG-CG1 4.39Å; L81-V142 HydrophobicContact CG-CG2 4.22Å; L81-Y150 HydrophobicContact CD1-CD1 3.76Å; L81-Y150 HydrophobicContact CD1-CG 3.86Å; L81-Y150 HydrophobicContact CD2-CD1 4.09Å; L81-Y150 HydrophobicContact CD2-CD2 3.77Å; L81-Y150 HydrophobicContact CD2-CE2 4.2Å; L81-Y150 HydrophobicContact CD2-CG 3.71Å; L81-Y150 HydrophobicContact CG-CD1 4.43Å; L81-Y150 HydrophobicContact CG-CG 4.41Å; L81-V153 HydrophobicContact CD1-CG2 4.4Å
82	W	89.7	Confident	75.4	Confident	1 Å²	1	51.9 Å²	51.9	0%	0.004	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	132.4	164.9	-76.7	99.4	0	0	0	110	L51 C53 I91 Y102 L124 A138 C139 H164	L51-W82 HydrophobicContact CB-CH2 3.74Å; L51-W82 HydrophobicContact CB-CZ2 4.35Å; L51-W82 HydrophobicContact CB-CZ3 4.15Å; L51-W82 HydrophobicContact CD1-CZ3 4.41Å; L51-W82 WeakPolarHBondContact O-CH2 2.98Å; L51-W82 WeakPolarHBondContact O-CZ2 3.23Å; C53-W82 HydrophobicContact CB-CZ2 3.84Å; W82-I91 HydrophobicContact CB-CB 4.31Å; W82-I91 HydrophobicContact CB-CD1 3.87Å; W82-I91 HydrophobicContact CB-CG1 4.33Å; W82-I91 PolarHBondContact O-N 2.89Å; W82-Y102 HydrophobicContact CB-CE1 4.41Å; W82-Y102 AromaticContact CD1-CD1 3.85Å; W82-Y102 AromaticContact CD1-CE1 3.46Å; W82-Y102 VanDerWaalsContact CD1-CE1 3.46Å; W82-Y102 AromaticContact CD1-CZ 3.88Å; W82-Y102 HydrophobicContact CG-CE1 4.31Å; W82-Y102 PolarHBondContact N-OH 3.28Å; W82-L124 HydrophobicContact CB-CD1 4.22Å; W82-L124 HydrophobicContact CB-CD2 4.32Å; W82-L124 HydrophobicContact CD2-CB 3.69Å; W82-L124 HydrophobicContact CD2-CD2 4.21Å; W82-L124 HydrophobicContact CD2-CG 4.42Å; W82-L124 HydrophobicContact CE3-CB 4.25Å; W82-L124 HydrophobicContact CE3-CD2 4.26Å; W82-L124 HydrophobicContact CG-CB 3.91Å; W82-L124 HydrophobicContact CG-CD1 4.08Å; W82-L124 HydrophobicContact CG-CD2 4.23Å; W82-L124 HydrophobicContact CG-CG 4.31Å; W82-L124 HydrophobicContact CH2-CB 4.47Å; W82-L124 HydrophobicContact CZ2-CB 3.97Å; W82-A138 WeakPolarHBondContact CA-O 3.34Å; W82-C139 HydrophobicContact CD2-CB 4.1Å; W82-C139 HydrophobicContact CE3-CB 4.02Å; W82-C139 HydrophobicContact CH2-CB 3.7Å; W82-C139 HydrophobicContact CZ2-CB 3.75Å; W82-C139 HydrophobicContact CZ3-CB 3.83Å; W82-H164 AromaticContact CH2-CD2 3.7Å; W82-H164 AromaticContact CH2-NE2 3.69Å; W82-H164 AromaticContact CZ3-CD2 3.64Å
83	I	88.8	Confident	76.1	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	137.8	-178.4	-53.2	174.3	0	0	0	107.7	T86 W87 N89 V90 Y137 A138 V140 V153 I223	I83-T86 WeakPolarHBondContact CG2-O 3.32Å; I83-W87 HydrophobicContact CD1-CD2 4.34Å; I83-W87 HydrophobicContact CD1-CE3 3.29Å; I83-W87 HydrophobicContact CD1-CH2 4.5Å; I83-W87 HydrophobicContact CD1-CZ3 3.41Å; I83-W87 VanDerWaalsContact CD1-CZ3 3.41Å; I83-N89 WeakPolarHBondContact CA-O 3.31Å; I83-V90 HydrophobicContact CG1-CG2 4.44Å; I83-Y137 CarbonylContact O-C 3.55Å; I83-Y137 VanDerWaalsContact O-CA 3.26Å; I83-Y137 WeakPolarHBondContact O-CA 3.32Å; I83-A138 PolarHBondContact N-O 3.39Å; I83-A138 PolarHBondContact O-N 3.16Å; I83-V140 HydrophobicContact CD1-CB 4.33Å; I83-V140 HydrophobicContact CD1-CG1 3.8Å; I83-V140 HydrophobicContact CD1-CG2 3.54Å; I83-V140 HydrophobicContact CG1-CG2 4.07Å; I83-V153 HydrophobicContact CD1-CB 4.18Å; I83-V153 HydrophobicContact CD1-CG1 4.17Å; I83-V153 HydrophobicContact CD1-CG2 3.62Å; I83-V153 HydrophobicContact CG1-CG2 4.17Å; I83-I223 HydrophobicContact CB-CD1 4.28Å; I83-I223 HydrophobicContact CG2-CD1 3.69Å; I83-I223 HydrophobicContact CG2-CG1 4.44Å
84	H	90.3	Very high	76.6	Confident	6 Å²	6	43.5 Å²	43.5	3%	0.028	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	124.5	179.8	176.7	-133.1	0	0	0	111.5	T86 N89 I91 R100 T132 V134 I136 Y137	H84-T86 PolarHBondContact O-N 3.28Å; H84-N89 PolarHBondContact N-O 3.12Å; H84-N89 PolarHBondContact ND1-ND2 3.1Å; H84-N89 VanDerWaalsContact O-CB 3.24Å; H84-N89 WeakPolarHBondContact O-CB 3.45Å; H84-N89 PolarHBondContact O-ND2 3.44Å; H84-I91 HydrophobicContact CB-CD1 4.49Å; H84-I91 HydrophobicContact CB-CG1 4.46Å; H84-R100 PolarHBondContact ND1-NH1 2.96Å; H84-R100 VanDerWaalsContact ND1-NH1 3.19Å; H84-T132 PolarHBondContact CE1-O 3.18Å; H84-T132 VanDerWaalsContact CE1-O 3.25Å; H84-V134 PolarHBondContact NE2-O 3.18Å; H84-I136 CarbonylContact C-O 3.49Å; H84-I136 WeakPolarHBondContact CA-O 3.47Å; H84-Y137 HydrophobicContact CB-CD1 3.98Å; H84-Y137 HydrophobicContact CB-CE1 3.75Å; H84-Y137 AromaticContact CD2-CD1 3.97Å; H84-Y137 AromaticContact CD2-CD2 3.94Å; H84-Y137 AromaticContact CD2-CE1 3.52Å; H84-Y137 AromaticContact CD2-CE2 3.48Å; H84-Y137 VanDerWaalsContact CD2-CE2 3.48Å; H84-Y137 WeakPolarHBondContact CD2-CE2 3.05Å; H84-Y137 AromaticContact CD2-CZ 3.24Å; H84-Y137 AromaticContact CG-CE1 3.66Å; H84-Y137 AromaticContact CG-CZ 3.76Å; H84-Y137 AromaticContact NE2-CE2 3.79Å; H84-Y137 AromaticContact NE2-CZ 3.62Å; H84-Y137 PolarHBondContact NE2-OH 2.84Å
85	N	86.1	Confident	77.4	Confident	13 Å²	13	47.7 Å²	47.7	7%	0.07	24%	0.236	C	C	.	.	S	Bend	trans	65.8	-50.4	175.9	-80.9	-22.4	0	0	0	116.4	V134 G135 I136 N220 I223	N85-V134 PolarHBondContact ND2-O 3.11Å; N85-G135 WeakPolarHBondContact OD1-CA 3.47Å; N85-I136 PolarHBondContact N-O 3.12Å; N85-I136 PolarHBondContact OD1-N 2.81Å; N85-N220 HydrophobicContact CB-CB 3.62Å; N85-N220 PolarHBondContact ND2-ND2 2.88Å; N85-I223 VanDerWaalsContact C-CD1 3.42Å; N85-I223 WeakPolarHBondContact O-CG1 3.33Å
86	T	82.8	Confident	78	Confident	27 Å²	27	38.7 Å²	38.7	17%	0.166	20%	0.199	C	C	.	.	S	Bend	trans	-130.3	150.2	-179.2	61.5	0	0	0	0	110.7	I83 H84 T88 N89	I83-T86 WeakPolarHBondContact CG2-O 3.32Å; H84-T86 PolarHBondContact O-N 3.28Å; T86-T88 PolarHBondContact O-N 3.17Å; T86-T88 PolarHBondContact OG1-OG1 3.49Å; T86-N89 PolarHBondContact O-N 3.5Å
87	W	81.1	Confident	78.6	Confident	11 Å²	11	37 Å²	37	4%	0.042	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-1.7	175.6	-66.1	103.7	0	0	0	115.1	I83 V140 V153 L155 T158 L160 I223 T226	I83-W87 HydrophobicContact CD1-CD2 4.34Å; I83-W87 HydrophobicContact CD1-CE3 3.29Å; I83-W87 HydrophobicContact CD1-CH2 4.5Å; I83-W87 HydrophobicContact CD1-CZ3 3.41Å; I83-W87 VanDerWaalsContact CD1-CZ3 3.41Å; W87-V140 HydrophobicContact CH2-CG1 4.01Å; W87-V140 HydrophobicContact CZ3-CG1 3.76Å; W87-V153 HydrophobicContact CE3-CB 4.16Å; W87-V153 HydrophobicContact CE3-CG1 4.04Å; W87-V153 HydrophobicContact CZ3-CG1 4.26Å; W87-V153 PolarHBondContact O-N 2.9Å; W87-L155 HydrophobicContact CB-CD2 4.34Å; W87-L155 HydrophobicContact CD2-CD2 3.31Å; W87-L155 HydrophobicContact CE3-CD2 3.22Å; W87-L155 HydrophobicContact CG-CD2 3.79Å; W87-L155 HydrophobicContact CH2-CD2 4.06Å; W87-L155 HydrophobicContact CZ2-CD2 4.13Å; W87-L155 HydrophobicContact CZ3-CD2 3.59Å; W87-T158 HydrophobicContact CZ3-CG2 4.34Å; W87-L160 HydrophobicContact CH2-CD1 4.32Å; W87-I223 HydrophobicContact CD2-CG1 4.48Å; W87-I223 HydrophobicContact CZ2-CG2 4.48Å; W87-T226 HydrophobicContact CZ2-CG2 3.74Å; W87-T226 PolarHBondContact NE1-OG1 2.98Å
88	T	82.1	Confident	79	Confident	86 Å²	86	38.3 Å²	38.3	53%	0.528	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-20.2	175.6	59.2	0	0	0	0	112.6	T86 V90 S151 P152	T86-T88 PolarHBondContact O-N 3.17Å; T86-T88 PolarHBondContact OG1-OG1 3.49Å; T88-V90 PolarHBondContact O-N 3.44Å; T88-S151 PolarHBondContact O-OG 2.79Å; T88-P152 HydrophobicContact CG2-CB 4.11Å
89	N	83.2	Confident	79.3	Confident	61 Å²	61	39.9 Å²	39.9	33%	0.326	22%	0.221	S	C	.	.			trans	-100.7	81.1	-175.3	-178.2	36.1	0	0	0	109.7	I83 H84 T86	I83-N89 WeakPolarHBondContact CA-O 3.31Å; H84-N89 PolarHBondContact N-O 3.12Å; H84-N89 PolarHBondContact ND1-ND2 3.1Å; H84-N89 VanDerWaalsContact O-CB 3.24Å; H84-N89 WeakPolarHBondContact O-CB 3.45Å; H84-N89 PolarHBondContact O-ND2 3.44Å; T86-N89 PolarHBondContact O-N 3.5Å
90	V	84.8	Confident	79.5	Confident	27 Å²	27	41.2 Å²	41.2	16%	0.164	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-88.4	127	178.6	-177.4	0	0	0	0	108.7	L81 I83 T88 D92 Y150 V153	L81-V90 HydrophobicContact CB-CG1 4.29Å; L81-V90 HydrophobicContact CD1-CG1 4.37Å; L81-V90 HydrophobicContact CD2-CG1 4.21Å; I83-V90 HydrophobicContact CG1-CG2 4.44Å; T88-V90 PolarHBondContact O-N 3.44Å; V90-D92 PolarHBondContact O-N 3.33Å; V90-Y150 WeakPolarHBondContact CG2-O 3.39Å; V90-V153 HydrophobicContact CG2-CG2 3.5Å; V90-V153 VanDerWaalsContact CG2-CG2 3.5Å
91	I	82.7	Confident	79.4	Confident	3 Å²	3	41.3 Å²	41.3	2%	0.015	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-70.8	129.4	175.4	-54.6	178.3	0	0	0	107.9	W82 H84 P93 R100 Y102 L124 Y137	W82-I91 HydrophobicContact CB-CB 4.31Å; W82-I91 HydrophobicContact CB-CD1 3.87Å; W82-I91 HydrophobicContact CB-CG1 4.33Å; W82-I91 PolarHBondContact O-N 2.89Å; H84-I91 HydrophobicContact CB-CD1 4.49Å; H84-I91 HydrophobicContact CB-CG1 4.46Å; I91-P93 WeakPolarHBondContact O-CD 3.22Å; I91-P93 VanDerWaalsContact O-N 3.1Å; I91-R100 HydrophobicContact CD1-CB 4.34Å; I91-R100 HydrophobicContact CG2-CB 3.96Å; I91-Y102 HydrophobicContact CB-CE2 4.14Å; I91-Y102 HydrophobicContact CG2-CE2 3.89Å; I91-Y102 PolarHBondContact O-OH 3.34Å; I91-L124 HydrophobicContact CD1-CD1 3.9Å; I91-L124 HydrophobicContact CD1-CD2 3.45Å; I91-L124 VanDerWaalsContact CD1-CD2 3.45Å; I91-L124 HydrophobicContact CD1-CG 4.33Å; I91-L124 HydrophobicContact CG2-CD1 4.32Å; I91-Y137 HydrophobicContact CD1-CD1 4.03Å; I91-Y137 HydrophobicContact CD1-CE1 3.89Å
92	D	77.2	Confident	78.9	Confident	58 Å²	58	42.9 Å²	42.9	31%	0.31	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-51.2	116.2	-179.6	-178.4	-38.1	0	0	0	110.5	V90 W94 L95 G96 Y102	V90-D92 PolarHBondContact O-N 3.33Å; D92-W94 VanDerWaalsContact C-N 3.32Å; D92-W94 PolarHBondContact O-N 3.14Å; D92-W94 WeakPolarHBondContact OD1-CA 3.34Å; D92-W94 WeakPolarHBondContact OD1-CB 3.31Å; D92-W94 VanDerWaalsContact OD1-CE3 3.28Å; D92-W94 PolarHBondContact OD1-N 3.32Å; D92-L95 PolarHBondContact OD1-N 3.44Å; D92-G96 WeakPolarHBondContact CB-O 2.97Å; D92-G96 WeakPolarHBondContact O-CA 3.46Å; D92-G96 PolarHBondContact O-N 2.84Å; D92-Y102 WeakPolarHBondContact O-CD2 3.15Å; D92-Y102 WeakPolarHBondContact O-CE2 3.44Å
93	P	66.8	Low	77.6	Confident	8 Å²	8	44.7 Å²	44.7	5%	0.052	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-13.9	-176.9	31.6	-35.4	0	0	0	114.5	L81 I91 Y102 W110 Y150	L81-P93 HydrophobicContact CD2-CB 4.43Å; L81-P93 HydrophobicContact CD2-CG 4.35Å; I91-P93 WeakPolarHBondContact O-CD 3.22Å; I91-P93 VanDerWaalsContact O-N 3.1Å; P93-Y102 VanDerWaalsContact CA-CE2 3.41Å; P93-Y102 HydrophobicContact CB-CE1 4.26Å; P93-Y102 HydrophobicContact CB-CE2 4.2Å; P93-W110 HydrophobicContact CB-CH2 4.21Å; P93-W110 HydrophobicContact CB-CZ2 4.09Å; P93-Y150 HydrophobicContact CG-CD2 4.19Å; P93-Y150 HydrophobicContact CG-CE2 4.37Å
94	W	65.1	Low	75.6	Confident	140 Å²	140	49.3 Å²	49.3	53%	0.53	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	-49.9	-175.2	-58.8	-78.2	0	0	0	112.7	D92 I146	D92-W94 VanDerWaalsContact C-N 3.32Å; D92-W94 PolarHBondContact O-N 3.14Å; D92-W94 WeakPolarHBondContact OD1-CA 3.34Å; D92-W94 WeakPolarHBondContact OD1-CB 3.31Å; D92-W94 VanDerWaalsContact OD1-CE3 3.28Å; D92-W94 PolarHBondContact OD1-N 3.32Å; W94-I146 HydrophobicContact CH2-CD1 4.3Å; W94-I146 HydrophobicContact CH2-CG1 4.49Å; W94-I146 HydrophobicContact CZ2-CD1 3.33Å; W94-I146 HydrophobicContact CZ2-CG1 3.92Å
95	L	67	Low	73.5	Confident	149 Å²	149	51.5 Å²	51.5	78%	0.78	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.6	-12.1	-176.9	-67.7	174.5	0	0	0	112.5	D92	D92-L95 PolarHBondContact OD1-N 3.44Å
96	G	69.5	Low	71.4	Confident	7 Å²	7	58.9 Å²	58.9	7%	0.072	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.2	-173.1	-155.8	0	0	0	0	0	111	D92 G98 R100	D92-G96 WeakPolarHBondContact CB-O 2.97Å; D92-G96 WeakPolarHBondContact O-CA 3.46Å; D92-G96 PolarHBondContact O-N 2.84Å; G96-G98 VanDerWaalsContact C-N 3.34Å; G96-R100 WeakPolarHBondContact CA-O 3.4Å
97	D	73.9	Confident	69.2	Low	73 Å²	73	62.4 Å²	62.4	39%	0.39	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	26.7	173.1	56.4	21.2	0	0	0	112.5	R99 R100	D97-R99 PolarHBondContact O-N 2.89Å; D97-R100 PolarHBondContact N-O 2.86Å; D97-R100 VanDerWaalsContact OD1-CB 3.24Å; D97-R100 WeakPolarHBondContact OD1-CB 3.16Å; D97-R100 PolarHBondContact OD1-N 3.26Å; D97-R100 IonicContact OD1-NE 3.03Å; D97-R100 IonicContact OD2-CZ 3.62Å; D97-R100 IonicContact OD2-NE 3.22Å; D97-R100 PolarHBondContact OD2-NE 2.82Å; D97-R100 IonicContact OD2-NH2 3.74Å; D97-R100 PolarHBondContact OD2-NH2 3.36Å
98	G	75.6	Confident	67.1	Low	72 Å²	72	66 Å²	66	74%	0.742	36%	0.363	S	S	*	.	S	Bend	trans	97.8	-52.1	-177.7	0	0	0	0	0	112.9	G96	G96-G98 VanDerWaalsContact C-N 3.34Å
99	R	78	Confident	65.1	Low	62 Å²	62	71.3 Å²	71.3	23%	0.234	37%	0.373	C	S	.	.	S	Bend	trans	-99.8	-38.1	-178.7	-84.5	175	35.9	-144.8	-19.5	113.6	D97 I127 D128 D130 D133	D97-R99 PolarHBondContact O-N 2.89Å; R99-I127 WeakPolarHBondContact CB-O 3.24Å; R99-I127 WeakPolarHBondContact CG-O 3.42Å; R99-I127 PolarHBondContact NE-O 3.41Å; R99-I127 PolarHBondContact O-N 2.62Å; R99-D128 VanDerWaalsContact CZ-O 3.25Å; R99-D128 PolarHBondContact NE-O 3.03Å; R99-D130 IonicContact CZ-OD1 2.87Å; R99-D130 IonicContact CZ-OD2 2.81Å; R99-D130 IonicContact NH1-OD1 3.45Å; R99-D130 IonicContact NH1-OD2 2.67Å; R99-D130 PolarHBondContact NH1-OD2 3.39Å; R99-D130 IonicContact NH2-OD1 3.76Å; R99-D130 PolarHBondContact NH2-OD1 3.38Å; R99-D130 IonicContact NH2-OD2 2.68Å; R99-D130 PolarHBondContact NH2-OD2 3.43Å; R99-D133 IonicContact CZ-OD2 3.67Å; R99-D133 IonicContact NH2-OD1 3.59Å; R99-D133 PolarHBondContact NH2-OD1 2.84Å; R99-D133 IonicContact NH2-OD2 3.58Å; R99-D133 PolarHBondContact NH2-OD2 2.93Å
100	R	80.4	Confident	63.4	Low	33 Å²	33	72.5 Å²	72.5	13%	0.125	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	106.5	175.7	-55.7	-177	-73.3	-137.7	-12.2	107.2	H84 I91 G96 D97 L124 S125 I126 D133	H84-R100 PolarHBondContact ND1-NH1 2.96Å; H84-R100 VanDerWaalsContact ND1-NH1 3.19Å; I91-R100 HydrophobicContact CD1-CB 4.34Å; I91-R100 HydrophobicContact CG2-CB 3.96Å; G96-R100 WeakPolarHBondContact CA-O 3.4Å; D97-R100 PolarHBondContact N-O 2.86Å; D97-R100 VanDerWaalsContact OD1-CB 3.24Å; D97-R100 WeakPolarHBondContact OD1-CB 3.16Å; D97-R100 PolarHBondContact OD1-N 3.26Å; D97-R100 IonicContact OD1-NE 3.03Å; D97-R100 IonicContact OD2-CZ 3.62Å; D97-R100 IonicContact OD2-NE 3.22Å; D97-R100 PolarHBondContact OD2-NE 2.82Å; D97-R100 IonicContact OD2-NH2 3.74Å; D97-R100 PolarHBondContact OD2-NH2 3.36Å; R100-L124 HydrophobicContact CB-CD1 4.36Å; R100-S125 WeakPolarHBondContact CA-O 3.4Å; R100-I126 HydrophobicContact CG-CG1 4.07Å; R100-I126 HydrophobicContact CG-CG2 4.11Å; R100-D133 IonicContact NH1-OD1 3.62Å
101	S	78.5	Confident	61.4	Low	31 Å²	31	80 Å²	80	22%	0.217	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	140.3	179.6	54.8	0	0	0	0	109.6	S125	S101-S125 PolarHBondContact N-O 2.79Å; S101-S125 PolarHBondContact O-N 2.6Å
102	Y	72.8	Confident	59.7	Low	33 Å²	33	81.2 Å²	81.2	13%	0.129	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	146.4	161.4	-66.6	-115.1	0	0	0	106.2	W82 I91 D92 P93 P104 L124	W82-Y102 HydrophobicContact CB-CE1 4.41Å; W82-Y102 AromaticContact CD1-CD1 3.85Å; W82-Y102 AromaticContact CD1-CE1 3.46Å; W82-Y102 VanDerWaalsContact CD1-CE1 3.46Å; W82-Y102 AromaticContact CD1-CZ 3.88Å; W82-Y102 HydrophobicContact CG-CE1 4.31Å; W82-Y102 PolarHBondContact N-OH 3.28Å; I91-Y102 HydrophobicContact CB-CE2 4.14Å; I91-Y102 HydrophobicContact CG2-CE2 3.89Å; I91-Y102 PolarHBondContact O-OH 3.34Å; D92-Y102 WeakPolarHBondContact O-CD2 3.15Å; D92-Y102 WeakPolarHBondContact O-CE2 3.44Å; P93-Y102 VanDerWaalsContact CA-CE2 3.41Å; P93-Y102 HydrophobicContact CB-CE1 4.26Å; P93-Y102 HydrophobicContact CB-CE2 4.2Å; Y102-P104 WeakPolarHBondContact O-CD 3.04Å; Y102-P104 VanDerWaalsContact O-N 3.08Å; Y102-L124 HydrophobicContact CD2-CD1 4.49Å
103	N	62.7	Low	58.2	Low	39 Å²	39	84.3 Å²	84.3	21%	0.209	44%	0.436	C	S	.	.			trans	-48.5	126.9	163.8	-175.2	10.2	0	0	0	107.1	L105 Y123	N103-L105 PolarHBondContact O-N 3.44Å; N103-Y123 HydrophobicContact CB-CD1 4.23Å; N103-Y123 HydrophobicContact CB-CD2 4.41Å; N103-Y123 HydrophobicContact CB-CE1 3.79Å; N103-Y123 HydrophobicContact CB-CE2 3.99Å; N103-Y123 PolarHBondContact N-O 2.93Å; N103-Y123 VanDerWaalsContact ND2-CE1 3.31Å; N103-Y123 WeakPolarHBondContact ND2-CE1 2.95Å; N103-Y123 PolarHBondContact OD1-OH 3.44Å
104	P	47.5	Very low	57.1	Low	97 Å²	97	89.4 Å²	89.4	63%	0.63	46%	0.463	S	S	*	.			trans	-61.7	89.3	170.1	25.4	-34	0	0	0	106.7	Y102 D106	Y102-P104 WeakPolarHBondContact O-CD 3.04Å; Y102-P104 VanDerWaalsContact O-N 3.08Å; P104-D106 PolarHBondContact O-N 3.48Å
105	L	45.4	Very low	56.4	Low	52 Å²	52	84 Å²	84	27%	0.272	44%	0.444	S	S	.	.			trans	-52.4	119	163.2	-67.9	168.8	0	0	0	104	N103 N107 N108	N103-L105 PolarHBondContact O-N 3.44Å; L105-N107 CarbonylContact O-C 3.55Å; L105-N107 PolarHBondContact O-N 3.27Å; L105-N108 PolarHBondContact O-N 3.26Å
106	D	42.5	Very low	55.4	Low	167 Å²	167	81.1 Å²	81.1	89%	0.893	43%	0.43	S	S	*	.	S	Bend	trans	-53.6	-13.3	177.1	-87.5	-31.4	0	0	0	111.7	P104	P104-D106 PolarHBondContact O-N 3.48Å
107	N	36.2	Very low	54.2	Low	101 Å²	101	86.4 Å²	86.4	54%	0.54	46%	0.456	S	S	.	.			trans	-121.9	81.1	172.9	-68.7	-38.8	0	0	0	112.2	L105 R109	L105-N107 CarbonylContact O-C 3.55Å; L105-N107 PolarHBondContact O-N 3.27Å; N107-R109 PolarHBondContact O-N 3.24Å
108	N	38.5	Very low	53.4	Low	88 Å²	88	84.1 Å²	84.1	47%	0.471	45%	0.445	S	S	.	.			trans	-70.1	38.3	162.4	-119.2	-0	0	0	0	112.5	L105	L105-N108 PolarHBondContact O-N 3.26Å
109	R	38.8	Very low	52.6	Low	196 Å²	196	81.2 Å²	81.2	74%	0.74	41%	0.413	S	S	*	.			trans	-102.3	89.9	174.1	-72.5	-170.2	-178	-168.1	1.5	108.2	N107 E111 I112	N107-R109 PolarHBondContact O-N 3.24Å; R109-E111 CarbonylContact O-C 3.58Å; R109-E111 PolarHBondContact O-N 3.12Å; R109-I112 WeakPolarHBondContact O-CG1 3.45Å; R109-I112 PolarHBondContact O-N 2.85Å
110	W	47.4	Very low	51.7	Low	86 Å²	86	81 Å²	81	33%	0.326	42%	0.42	S	S	.	.	S	Bend	trans	-52.9	-13.6	-179.6	-62.9	93.3	0	0	0	115.2	A79 P93 I112	A79-W110 HydrophobicContact CB-CE3 3.87Å; A79-W110 HydrophobicContact CB-CH2 4.45Å; A79-W110 HydrophobicContact CB-CZ3 3.61Å; P93-W110 HydrophobicContact CB-CH2 4.21Å; P93-W110 HydrophobicContact CB-CZ2 4.09Å; W110-I112 PolarHBondContact O-N 3.01Å
111	E	43.2	Very low	51	Low	185 Å²	185	84.1 Å²	84.1	86%	0.864	44%	0.436	S	S	*	.			trans	-82.1	62.6	156.5	-64.5	-178.3	173.5	0	0	111	R109 P113	R109-E111 CarbonylContact O-C 3.58Å; R109-E111 PolarHBondContact O-N 3.12Å; E111-P113 WeakPolarHBondContact O-CD 3.38Å
112	I	46.2	Very low	50.8	Low	29 Å²	29	83.1 Å²	83.1	15%	0.149	43%	0.43	C	S	.	.			trans	-85.7	109.4	175.9	-48.4	-178.9	0	0	0	107.8	R67 R109 W110 N114 I115	R67-I112 PolarHBondContact NH1-O 3.07Å; R67-I112 PolarHBondContact NH2-O 3.36Å; R109-I112 WeakPolarHBondContact O-CG1 3.45Å; R109-I112 PolarHBondContact O-N 2.85Å; W110-I112 PolarHBondContact O-N 3.01Å; I112-N114 WeakPolarHBondContact CG2-O 3.07Å; I112-N114 PolarHBondContact O-N 3.17Å; I112-I115 HydrophobicContact CB-CG1 4.27Å; I112-I115 HydrophobicContact CG2-CG1 4.42Å
113	P	46.3	Very low	51.4	Low	123 Å²	123	85.3 Å²	85.3	80%	0.799	44%	0.439	S	S	*	.	S	Bend	trans	-62.8	-34.2	176	22.4	-31	0	0	0	111.6	R67 E111	R67-P113 PolarHBondContact NH1-O 3.01Å; E111-P113 WeakPolarHBondContact O-CD 3.38Å
114	N	44.6	Very low	52.6	Low	114 Å²	114	83.5 Å²	83.5	61%	0.61	43%	0.429	S	S	*	.			trans	-120	105.1	-171.1	-148.4	2.1	0	0	0	112.5	I112	I112-N114 WeakPolarHBondContact CG2-O 3.07Å; I112-N114 PolarHBondContact O-N 3.17Å
115	I	49.7	Very low	54.5	Low	26 Å²	26	79.1 Å²	79.1	13%	0.133	40%	0.401	C	S	.	.			trans	-97.8	-11.9	-172	-71.9	180	0	0	0	113.2	Y64 R67 I112 L117 S118 I119	Y64-I115 HydrophobicContact CE1-CB 3.87Å; Y64-I115 HydrophobicContact CE1-CG2 3.86Å; Y64-I115 VanDerWaalsContact OH-C 3.25Å; Y64-I115 PolarHBondContact OH-O 2.89Å; R67-I115 VanDerWaalsContact NH1-CG1 3.32Å; I112-I115 HydrophobicContact CB-CG1 4.27Å; I112-I115 HydrophobicContact CG2-CG1 4.42Å; I115-L117 VanDerWaalsContact C-N 3.3Å; I115-L117 PolarHBondContact O-N 2.72Å; I115-L117 VanDerWaalsContact O-N 3.09Å; I115-S118 PolarHBondContact O-N 3.05Å; I115-I119 HydrophobicContact CG2-CB 4.29Å; I115-I119 HydrophobicContact CG2-CD1 3.25Å; I115-I119 HydrophobicContact CG2-CG1 3.39Å; I115-I119 PolarHBondContact O-N 3.02Å
116	D	46.1	Very low	56.6	Low	89 Å²	89	76.6 Å²	76.6	48%	0.476	39%	0.388	S	S	.	.	H	α-helix	trans	-39.6	-51.5	-179.5	-69.2	8	0	0	0	114.5	Y64 S120	Y64-D116 VanDerWaalsContact CE1-OD1 3.22Å; Y64-D116 WeakPolarHBondContact CE1-OD1 3.45Å; Y64-D116 VanDerWaalsContact CE2-OD1 3.27Å; Y64-D116 WeakPolarHBondContact CE2-OD1 3.34Å; Y64-D116 WeakPolarHBondContact OH-CA 3.38Å; Y64-D116 PolarHBondContact OH-N 2.02Å; D116-S120 PolarHBondContact O-OG 2.79Å
117	L	44.6	Very low	58.7	Low	118 Å²	118	72.6 Å²	72.6	62%	0.618	37%	0.365	S	S	*	.	H	α-helix	trans	-79.7	-21.6	179.6	-108.3	88.6	0	0	0	114.3	I115 S120 Q121	I115-L117 VanDerWaalsContact C-N 3.3Å; I115-L117 PolarHBondContact O-N 2.72Å; I115-L117 VanDerWaalsContact O-N 3.09Å; L117-S120 PolarHBondContact O-OG 2.92Å; L117-Q121 WeakPolarHBondContact O-CB 3.34Å; L117-Q121 VanDerWaalsContact O-CD 3.29Å; L117-Q121 WeakPolarHBondContact O-CG 3.45Å
118	S	55.8	Low	61	Low	25 Å²	25	72.2 Å²	72.2	18%	0.175	36%	0.363	C	S	.	.	H	α-helix	trans	-87.9	-37.7	-166.4	-58.4	0	0	0	0	113.3	I115 A122	I115-S118 PolarHBondContact O-N 3.05Å; S118-A122 WeakPolarHBondContact O-CB 3.23Å; S118-A122 PolarHBondContact O-N 3.48Å
119	I	59.5	Low	63.3	Low	12 Å²	12	68 Å²	68	6%	0.062	34%	0.341	C	S	.	.	H	α-helix	trans	-73.8	-43.8	178.2	-72.4	170.3	0	0	0	111.2	V54 I60 I63 I115 Q121 A122	V54-I119 HydrophobicContact CB-CG2 4.12Å; V54-I119 HydrophobicContact CG2-CG2 3.55Å; I60-I119 HydrophobicContact CG1-CG2 4.34Å; I60-I119 HydrophobicContact CG2-CB 4.24Å; I60-I119 HydrophobicContact CG2-CG2 4.18Å; I63-I119 HydrophobicContact CG2-CD1 3.93Å; I115-I119 HydrophobicContact CG2-CB 4.29Å; I115-I119 HydrophobicContact CG2-CD1 3.25Å; I115-I119 HydrophobicContact CG2-CG1 3.39Å; I115-I119 PolarHBondContact O-N 3.02Å; I119-Q121 PolarHBondContact O-N 2.9Å; I119-A122 WeakPolarHBondContact O-CB 3.15Å; I119-A122 PolarHBondContact O-N 2.83Å
120	S	59.6	Low	65.4	Low	56 Å²	56	59.2 Å²	59.2	39%	0.392	31%	0.308	S	S	.	.	H	α-helix	trans	-61.5	-30	178.1	51.6	0	0	0	0	112.4	D116 L117	D116-S120 PolarHBondContact O-OG 2.79Å; L117-S120 PolarHBondContact O-OG 2.92Å
121	Q	64.8	Low	66.9	Low	99 Å²	99	55.7 Å²	55.7	46%	0.463	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	1.6	175.7	-61.9	178.1	3.9	0	0	113.5	L117 I119 Y123	L117-Q121 WeakPolarHBondContact O-CB 3.34Å; L117-Q121 VanDerWaalsContact O-CD 3.29Å; L117-Q121 WeakPolarHBondContact O-CG 3.45Å; I119-Q121 PolarHBondContact O-N 2.9Å; Q121-Y123 WeakPolarHBondContact O-CD1 3.15Å; Q121-Y123 PolarHBondContact O-N 2.88Å
122	A	75.3	Confident	68.7	Low	10 Å²	10	50.2 Å²	50.2	8%	0.083	28%	0.276	C	S	.	.			trans	-77.4	111.7	-179.8	0	0	0	0	0	109.7	C53 L80 S118 I119	C53-A122 HydrophobicContact CB-CB 4.07Å; C53-A122 VanDerWaalsContact CB-O 3.22Å; C53-A122 WeakPolarHBondContact CB-O 3.36Å; C53-A122 PolarHBondContact N-O 2.85Å; L80-A122 HydrophobicContact CD2-CB 3.45Å; L80-A122 VanDerWaalsContact CD2-CB 3.45Å; S118-A122 WeakPolarHBondContact O-CB 3.23Å; S118-A122 PolarHBondContact O-N 3.48Å; I119-A122 WeakPolarHBondContact O-CB 3.15Å; I119-A122 PolarHBondContact O-N 2.83Å
123	Y	83.9	Confident	70.7	Confident	80 Å²	80	48.9 Å²	48.9	31%	0.314	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	150.6	170.2	60.3	-92.1	0	0	0	110.5	A50 L51 N103 Q121	A50-Y123 HydrophobicContact CB-CD2 3.79Å; A50-Y123 HydrophobicContact CB-CE2 4.33Å; A50-Y123 HydrophobicContact CB-CG 4.33Å; L51-Y123 CarbonylContact O-C 3.53Å; L51-Y123 WeakPolarHBondContact O-CA 3.3Å; L51-Y123 VanDerWaalsContact O-CB 3.22Å; L51-Y123 WeakPolarHBondContact O-CB 3.43Å; N103-Y123 HydrophobicContact CB-CD1 4.23Å; N103-Y123 HydrophobicContact CB-CD2 4.41Å; N103-Y123 HydrophobicContact CB-CE1 3.79Å; N103-Y123 HydrophobicContact CB-CE2 3.99Å; N103-Y123 PolarHBondContact N-O 2.93Å; N103-Y123 VanDerWaalsContact ND2-CE1 3.31Å; N103-Y123 WeakPolarHBondContact ND2-CE1 2.95Å; N103-Y123 PolarHBondContact OD1-OH 3.44Å; Q121-Y123 WeakPolarHBondContact O-CD1 3.15Å; Q121-Y123 PolarHBondContact O-N 2.88Å
124	L	88	Confident	72.6	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	123.8	164.9	-176.8	72.3	0	0	0	108.2	A50 L51 W82 I91 R100 Y102 I126 Y137	A50-L124 CarbonylContact C-O 3.59Å; A50-L124 VanDerWaalsContact CA-O 3.31Å; A50-L124 WeakPolarHBondContact CA-O 3.17Å; L51-L124 HydrophobicContact CB-CB 4.3Å; L51-L124 HydrophobicContact CD1-CD2 4.19Å; L51-L124 PolarHBondContact N-O 3.12Å; L51-L124 PolarHBondContact O-N 2.85Å; W82-L124 HydrophobicContact CB-CD1 4.22Å; W82-L124 HydrophobicContact CB-CD2 4.32Å; W82-L124 HydrophobicContact CD2-CB 3.69Å; W82-L124 HydrophobicContact CD2-CD2 4.21Å; W82-L124 HydrophobicContact CD2-CG 4.42Å; W82-L124 HydrophobicContact CE3-CB 4.25Å; W82-L124 HydrophobicContact CE3-CD2 4.26Å; W82-L124 HydrophobicContact CG-CB 3.91Å; W82-L124 HydrophobicContact CG-CD1 4.08Å; W82-L124 HydrophobicContact CG-CD2 4.23Å; W82-L124 HydrophobicContact CG-CG 4.31Å; W82-L124 HydrophobicContact CH2-CB 4.47Å; W82-L124 HydrophobicContact CZ2-CB 3.97Å; I91-L124 HydrophobicContact CD1-CD1 3.9Å; I91-L124 HydrophobicContact CD1-CD2 3.45Å; I91-L124 VanDerWaalsContact CD1-CD2 3.45Å; I91-L124 HydrophobicContact CD1-CG 4.33Å; I91-L124 HydrophobicContact CG2-CD1 4.32Å; R100-L124 HydrophobicContact CB-CD1 4.36Å; Y102-L124 HydrophobicContact CD2-CD1 4.49Å; L124-I126 HydrophobicContact CD2-CD1 4.34Å; L124-I126 HydrophobicContact CD2-CG1 4.19Å; L124-I126 HydrophobicContact CG-CG1 4.34Å; L124-Y137 HydrophobicContact CD2-CD1 3.68Å; L124-Y137 HydrophobicContact CD2-CE1 3.9Å
125	S	88.1	Confident	74.8	Confident	5 Å²	5	38 Å²	38	4%	0.035	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	123.3	171.7	-175.7	0	0	0	0	109.5	M48 I49 R100 S101	M48-S125 WeakPolarHBondContact CE-OG 3.5Å; I49-S125 WeakPolarHBondContact O-CA 3.49Å; R100-S125 WeakPolarHBondContact CA-O 3.4Å; S101-S125 PolarHBondContact N-O 2.79Å; S101-S125 PolarHBondContact O-N 2.6Å
126	I	88.9	Confident	76.7	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	113.6	170.5	-49.5	-178.7	0	0	0	106.7	M48 I49 L51 R100 L124 V129 D133 Y137	M48-I126 VanDerWaalsContact CA-O 3.31Å; M48-I126 WeakPolarHBondContact CA-O 3.49Å; I49-I126 HydrophobicContact CG2-CB 3.74Å; I49-I126 HydrophobicContact CG2-CD1 4.15Å; I49-I126 HydrophobicContact CG2-CG1 4.15Å; I49-I126 PolarHBondContact N-O 3.11Å; I49-I126 PolarHBondContact O-N 3.09Å; L51-I126 HydrophobicContact CD1-CD1 4.37Å; R100-I126 HydrophobicContact CG-CG1 4.07Å; R100-I126 HydrophobicContact CG-CG2 4.11Å; L124-I126 HydrophobicContact CD2-CD1 4.34Å; L124-I126 HydrophobicContact CD2-CG1 4.19Å; L124-I126 HydrophobicContact CG-CG1 4.34Å; I126-V129 HydrophobicContact CB-CG2 4.12Å; I126-V129 HydrophobicContact CG2-CG2 3.68Å; I126-D133 HydrophobicContact CG2-CB 4.42Å; I126-D133 WeakPolarHBondContact CG2-OD2 3.38Å; I126-Y137 HydrophobicContact CD1-CE1 4.04Å; I126-Y137 HydrophobicContact CD1-CE2 4.25Å
127	I	86.8	Confident	78.9	Confident	83 Å²	83	32.5 Å²	32.5	43%	0.426	18%	0.176	S	C	.	.			trans	-100.1	144.5	177.1	-54.6	171	0	0	0	107.7	M48 R99	M48-I127 HydrophobicContact CE-CG1 4.42Å; M48-I127 HydrophobicContact CG-CG1 4.27Å; R99-I127 WeakPolarHBondContact CB-O 3.24Å; R99-I127 WeakPolarHBondContact CG-O 3.42Å; R99-I127 PolarHBondContact NE-O 3.41Å; R99-I127 PolarHBondContact O-N 2.62Å
128	D	85.1	Confident	81.2	Confident	93 Å²	93	26.9 Å²	26.9	50%	0.497	15%	0.146	S	C	.	.	S	Bend	trans	55	58.1	179.5	-170.8	35.7	0	0	0	111.2	G46 S47 R99 D130	G46-D128 WeakPolarHBondContact CA-OD1 3.43Å; S47-D128 PolarHBondContact O-N 3.04Å; R99-D128 VanDerWaalsContact CZ-O 3.25Å; R99-D128 PolarHBondContact NE-O 3.03Å; D128-D130 PolarHBondContact O-N 3.14Å
129	V	85.9	Confident	82.7	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.138	C	C	.	.			trans	-56.9	134.7	-173	170.8	0	0	0	0	110.7	V43 I45 G46 S47 I49 I126 D133 V168	V43-V129 HydrophobicContact CB-CG1 4.35Å; V43-V129 HydrophobicContact CG1-CB 4.03Å; V43-V129 HydrophobicContact CG1-CG1 3.8Å; V43-V129 HydrophobicContact CG1-CG2 3.83Å; I45-V129 CarbonylContact C-O 3.57Å; I45-V129 VanDerWaalsContact CA-O 3.26Å; I45-V129 WeakPolarHBondContact CA-O 3.3Å; I45-V129 WeakPolarHBondContact CG2-O 3.48Å; G46-V129 PolarHBondContact N-O 2.78Å; S47-V129 WeakPolarHBondContact O-CG2 3.23Å; S47-V129 PolarHBondContact O-N 3.2Å; I49-V129 HydrophobicContact CG2-CG2 3.76Å; I126-V129 HydrophobicContact CB-CG2 4.12Å; I126-V129 HydrophobicContact CG2-CG2 3.68Å; V129-D133 WeakPolarHBondContact CA-OD2 3.08Å; V129-D133 HydrophobicContact CG1-CB 4.38Å; V129-V168 HydrophobicContact CG1-CB 4.21Å; V129-V168 HydrophobicContact CG1-CG1 3.79Å; V129-V168 HydrophobicContact CG1-CG2 3.34Å
130	D	83.2	Confident	84	Confident	10 Å²	10	25.1 Å²	25.1	5%	0.053	14%	0.135	C	C	.	.			trans	-127.6	174.4	178.7	86.1	-14.1	0	0	0	112	R99 D128 T132 D133 V168	R99-D130 IonicContact CZ-OD1 2.87Å; R99-D130 IonicContact CZ-OD2 2.81Å; R99-D130 IonicContact NH1-OD1 3.45Å; R99-D130 IonicContact NH1-OD2 2.67Å; R99-D130 PolarHBondContact NH1-OD2 3.39Å; R99-D130 IonicContact NH2-OD1 3.76Å; R99-D130 PolarHBondContact NH2-OD1 3.38Å; R99-D130 IonicContact NH2-OD2 2.68Å; R99-D130 PolarHBondContact NH2-OD2 3.43Å; D128-D130 PolarHBondContact O-N 3.14Å; D130-T132 VanDerWaalsContact CG-OG1 3.25Å; D130-T132 PolarHBondContact O-N 3.13Å; D130-T132 WeakPolarHBondContact OD1-CA 3.44Å; D130-T132 WeakPolarHBondContact OD1-CB 3.45Å; D130-T132 PolarHBondContact OD1-N 3.38Å; D130-T132 PolarHBondContact OD1-OG1 2.99Å; D130-T132 PolarHBondContact OD2-OG1 2.79Å; D130-D133 PolarHBondContact N-OD2 2.96Å; D130-D133 WeakPolarHBondContact O-CB 3.31Å; D130-D133 PolarHBondContact O-N 3.37Å; D130-D133 VanDerWaalsContact O-N 3.12Å; D130-D133 PolarHBondContact OD1-N 3.05Å; D130-V168 WeakPolarHBondContact O-CG2 3.17Å
131	P	79.6	Confident	85	Confident	13 Å²	13	23 Å²	23	8%	0.084	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-59.7	-25.9	176.7	-29.2	39.1	0	0	0	115.4	D133 V134 F195 W198	P131-D133 PolarHBondContact O-N 3.18Å; P131-V134 VanDerWaalsContact O-CB 3.24Å; P131-V134 WeakPolarHBondContact O-CB 3.49Å; P131-V134 WeakPolarHBondContact O-CG2 3.37Å; P131-V134 PolarHBondContact O-N 3.13Å; P131-V134 VanDerWaalsContact O-N 3.13Å; P131-F195 HydrophobicContact CB-CD1 4.47Å; P131-F195 HydrophobicContact CB-CE1 4.31Å; P131-F195 HydrophobicContact CG-CD1 3.15Å; P131-F195 HydrophobicContact CG-CD2 4.4Å; P131-F195 HydrophobicContact CG-CE1 2.94Å; P131-F195 HydrophobicContact CG-CE2 4.21Å; P131-F195 HydrophobicContact CG-CG 3.89Å; P131-F195 HydrophobicContact CG-CZ 3.5Å; P131-W198 HydrophobicContact CG-CG 4.49Å
132	T	81.3	Confident	85.7	Confident	70 Å²	70	18.2 Å²	18.2	43%	0.429	10%	0.097	S	C	.	.	G	3₁₀ helix	trans	-74.7	-16.8	-179.2	76.9	0	0	0	0	111.7	H84 D130 V134	H84-T132 PolarHBondContact CE1-O 3.18Å; H84-T132 VanDerWaalsContact CE1-O 3.25Å; D130-T132 VanDerWaalsContact CG-OG1 3.25Å; D130-T132 PolarHBondContact O-N 3.13Å; D130-T132 WeakPolarHBondContact OD1-CA 3.44Å; D130-T132 WeakPolarHBondContact OD1-CB 3.45Å; D130-T132 PolarHBondContact OD1-N 3.38Å; D130-T132 PolarHBondContact OD1-OG1 2.99Å; D130-T132 PolarHBondContact OD2-OG1 2.79Å; T132-V134 PolarHBondContact O-N 3.28Å
133	D	87.2	Confident	85.7	Confident	1 Å²	1	18.7 Å²	18.7	1%	0.005	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-76.3	-8.2	169.5	-62.6	-39.6	0	0	0	113	R99 R100 I126 V129 D130 P131 G135 Y137 V168	R99-D133 IonicContact CZ-OD2 3.67Å; R99-D133 IonicContact NH2-OD1 3.59Å; R99-D133 PolarHBondContact NH2-OD1 2.84Å; R99-D133 IonicContact NH2-OD2 3.58Å; R99-D133 PolarHBondContact NH2-OD2 2.93Å; R100-D133 IonicContact NH1-OD1 3.62Å; I126-D133 HydrophobicContact CG2-CB 4.42Å; I126-D133 WeakPolarHBondContact CG2-OD2 3.38Å; V129-D133 WeakPolarHBondContact CA-OD2 3.08Å; V129-D133 HydrophobicContact CG1-CB 4.38Å; D130-D133 PolarHBondContact N-OD2 2.96Å; D130-D133 WeakPolarHBondContact O-CB 3.31Å; D130-D133 PolarHBondContact O-N 3.37Å; D130-D133 VanDerWaalsContact O-N 3.12Å; D130-D133 PolarHBondContact OD1-N 3.05Å; P131-D133 PolarHBondContact O-N 3.18Å; D133-G135 PolarHBondContact O-N 2.69Å; D133-Y137 VanDerWaalsContact CA-OH 3.27Å; D133-Y137 WeakPolarHBondContact CA-OH 3.24Å; D133-Y137 WeakPolarHBondContact CB-OH 3.22Å; D133-Y137 WeakPolarHBondContact O-CE2 3.4Å; D133-Y137 PolarHBondContact O-OH 2.99Å; D133-V168 HydrophobicContact CB-CG2 4.46Å
134	V	87.1	Confident	85.3	Confident	6 Å²	6	15.3 Å²	15.3	4%	0.036	9%	0.085	C	C	.	.			trans	-63	128.8	174.2	176.9	0	0	0	0	109.5	H84 N85 P131 T132 V166 V168 E355	H84-V134 PolarHBondContact NE2-O 3.18Å; N85-V134 PolarHBondContact ND2-O 3.11Å; P131-V134 VanDerWaalsContact O-CB 3.24Å; P131-V134 WeakPolarHBondContact O-CB 3.49Å; P131-V134 WeakPolarHBondContact O-CG2 3.37Å; P131-V134 PolarHBondContact O-N 3.13Å; P131-V134 VanDerWaalsContact O-N 3.13Å; T132-V134 PolarHBondContact O-N 3.28Å; V134-V166 WeakPolarHBondContact CA-O 3.19Å; V134-V168 HydrophobicContact CG2-CB 3.64Å; V134-V168 HydrophobicContact CG2-CG2 3.7Å; V134-E355 HydrophobicContact CG1-CB 4.03Å
135	G	89.9	Confident	84.4	Confident	2 Å²	2	17.3 Å²	17.3	2%	0.021	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	153.8	-165.2	179	0	0	0	0	0	115.1	N85 D133 V166 T353	N85-G135 WeakPolarHBondContact OD1-CA 3.47Å; D133-G135 PolarHBondContact O-N 2.69Å; G135-V166 PolarHBondContact N-O 2.95Å; G135-V166 PolarHBondContact O-N 3.02Å; G135-T353 WeakPolarHBondContact CA-O 3.38Å
136	I	90.5	Very high	83.5	Confident	0 Å²	0	20 Å²	20	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	125.2	177.2	-60.1	162.1	0	0	0	108.9	H84 N85 I163 H164 M165 I223 F224 T353	H84-I136 CarbonylContact C-O 3.49Å; H84-I136 WeakPolarHBondContact CA-O 3.47Å; N85-I136 PolarHBondContact N-O 3.12Å; N85-I136 PolarHBondContact OD1-N 2.81Å; I136-I163 HydrophobicContact CG2-CG2 3.73Å; I136-H164 CarbonylContact C-O 3.52Å; I136-H164 WeakPolarHBondContact CA-O 3.41Å; I136-M165 HydrophobicContact CG1-CG 4.37Å; I136-I223 HydrophobicContact CG2-CB 3.94Å; I136-I223 HydrophobicContact CG2-CG2 3.65Å; I136-F224 HydrophobicContact CD1-CB 3.56Å; I136-T353 HydrophobicContact CD1-CG2 3.6Å; I136-T353 HydrophobicContact CG1-CG2 4.37Å
137	Y	92.6	Very high	82.5	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	136.8	170.4	-65.9	-98	0	0	0	109.8	L51 I83 H84 I91 L124 I126 D133 I163 H164 V166	L51-Y137 HydrophobicContact CD1-CD1 4.23Å; L51-Y137 HydrophobicContact CD1-CD2 3.97Å; L51-Y137 HydrophobicContact CD1-CG 3.75Å; I83-Y137 CarbonylContact O-C 3.55Å; I83-Y137 VanDerWaalsContact O-CA 3.26Å; I83-Y137 WeakPolarHBondContact O-CA 3.32Å; H84-Y137 HydrophobicContact CB-CD1 3.98Å; H84-Y137 HydrophobicContact CB-CE1 3.75Å; H84-Y137 AromaticContact CD2-CD1 3.97Å; H84-Y137 AromaticContact CD2-CD2 3.94Å; H84-Y137 AromaticContact CD2-CE1 3.52Å; H84-Y137 AromaticContact CD2-CE2 3.48Å; H84-Y137 VanDerWaalsContact CD2-CE2 3.48Å; H84-Y137 WeakPolarHBondContact CD2-CE2 3.05Å; H84-Y137 AromaticContact CD2-CZ 3.24Å; H84-Y137 AromaticContact CG-CE1 3.66Å; H84-Y137 AromaticContact CG-CZ 3.76Å; H84-Y137 AromaticContact NE2-CE2 3.79Å; H84-Y137 AromaticContact NE2-CZ 3.62Å; H84-Y137 PolarHBondContact NE2-OH 2.84Å; I91-Y137 HydrophobicContact CD1-CD1 4.03Å; I91-Y137 HydrophobicContact CD1-CE1 3.89Å; L124-Y137 HydrophobicContact CD2-CD1 3.68Å; L124-Y137 HydrophobicContact CD2-CE1 3.9Å; I126-Y137 HydrophobicContact CD1-CE1 4.04Å; I126-Y137 HydrophobicContact CD1-CE2 4.25Å; D133-Y137 VanDerWaalsContact CA-OH 3.27Å; D133-Y137 WeakPolarHBondContact CA-OH 3.24Å; D133-Y137 WeakPolarHBondContact CB-OH 3.22Å; D133-Y137 WeakPolarHBondContact O-CE2 3.4Å; D133-Y137 PolarHBondContact O-OH 2.99Å; Y137-I163 CarbonylContact O-C 3.59Å; Y137-I163 WeakPolarHBondContact O-CA 3.48Å; Y137-H164 PolarHBondContact N-O 2.73Å; Y137-H164 PolarHBondContact O-N 2.88Å; Y137-V166 HydrophobicContact CD2-CB 4.2Å; Y137-V166 HydrophobicContact CD2-CG2 3.72Å; Y137-V166 HydrophobicContact CE2-CB 3.97Å; Y137-V166 HydrophobicContact CE2-CG2 3.87Å
138	A	91	Very high	81.8	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	131.1	170.4	0	0	0	0	0	110.2	W82 I83 V140 L160 S162 I163 I223	W82-A138 WeakPolarHBondContact CA-O 3.34Å; I83-A138 PolarHBondContact N-O 3.39Å; I83-A138 PolarHBondContact O-N 3.16Å; A138-V140 HydrophobicContact CB-CG1 4.09Å; A138-L160 HydrophobicContact CB-CD1 3.74Å; A138-S162 WeakPolarHBondContact CA-O 3.32Å; A138-I163 HydrophobicContact CB-CG1 4.41Å; A138-I223 HydrophobicContact CB-CG2 3.55Å
139	C	88.7	Confident	81.3	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	127.3	163.9	-166.2	0	0	0	0	108.9	C53 W82 L161 S162	C53-C139 HydrophobicContact CB-CB 3.81Å; C53-C139 WeakPolarHBondContact CB-SG 3.26Å; C53-C139 WeakPolarHBondContact SG-CB 3.44Å; C53-C139 CovalentContact SG-SG 2.02Å; C53-C139 PolarHBondContact SG-SG 3.38Å; W82-C139 HydrophobicContact CD2-CB 4.1Å; W82-C139 HydrophobicContact CE3-CB 4.02Å; W82-C139 HydrophobicContact CH2-CB 3.7Å; W82-C139 HydrophobicContact CZ2-CB 3.75Å; W82-C139 HydrophobicContact CZ3-CB 3.83Å; C139-L161 HydrophobicContact CB-CB 4.36Å; C139-L161 WeakPolarHBondContact O-CB 3.32Å; C139-L161 PolarHBondContact O-N 3.45Å; C139-S162 VanDerWaalsContact CB-OG 3.32Å; C139-S162 WeakPolarHBondContact CB-OG 3.18Å; C139-S162 PolarHBondContact N-O 3.31Å; C139-S162 PolarHBondContact O-N 2.78Å
140	V	85.9	Confident	80.9	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	149.8	-177.8	-50.3	0	0	0	0	111.7	L80 L81 I83 W87 A138 V142 T158 Q159 L160	L80-V140 WeakPolarHBondContact CA-O 3.42Å; L81-V140 HydrophobicContact CB-CG2 3.9Å; L81-V140 PolarHBondContact N-O 2.9Å; L81-V140 PolarHBondContact O-N 3.04Å; I83-V140 HydrophobicContact CD1-CB 4.33Å; I83-V140 HydrophobicContact CD1-CG1 3.8Å; I83-V140 HydrophobicContact CD1-CG2 3.54Å; I83-V140 HydrophobicContact CG1-CG2 4.07Å; W87-V140 HydrophobicContact CH2-CG1 4.01Å; W87-V140 HydrophobicContact CZ3-CG1 3.76Å; A138-V140 HydrophobicContact CB-CG1 4.09Å; V140-V142 HydrophobicContact CG2-CG1 4.33Å; V140-T158 HydrophobicContact CB-CG2 3.56Å; V140-T158 HydrophobicContact CG1-CG2 4.18Å; V140-T158 HydrophobicContact CG2-CG2 3.76Å; V140-Q159 CarbonylContact C-O 3.55Å; V140-Q159 WeakPolarHBondContact CA-O 3.14Å; V140-L160 HydrophobicContact CG1-CD1 3.86Å
141	M	81.6	Confident	80.7	Confident	10 Å²	10	32.9 Å²	32.9	5%	0.049	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	124	174.8	178.2	175.3	51.4	0	0	109.4	I63 W78 A79 T158 Q159 L161	I63-M141 HydrophobicContact CB-CE 4.2Å; I63-M141 HydrophobicContact CD1-CE 4.16Å; I63-M141 HydrophobicContact CG1-CE 3.72Å; I63-M141 HydrophobicContact CG2-CE 3.58Å; I63-M141 HydrophobicContact CG2-SD 3.5Å; I63-M141 VanDerWaalsContact CG2-SD 3.5Å; W78-M141 HydrophobicContact CE3-CE 4.22Å; W78-M141 HydrophobicContact CE3-CG 3.72Å; W78-M141 HydrophobicContact CE3-SD 3.46Å; W78-M141 HydrophobicContact CZ3-CE 3.86Å; W78-M141 HydrophobicContact CZ3-CG 4.18Å; W78-M141 HydrophobicContact CZ3-SD 3.73Å; A79-M141 CarbonylContact O-C 3.51Å; A79-M141 WeakPolarHBondContact O-CA 3.46Å; M141-T158 CarbonylContact O-C 3.51Å; M141-T158 WeakPolarHBondContact O-CA 3.34Å; M141-Q159 HydrophobicContact CE-CB 4.13Å; M141-Q159 HydrophobicContact CE-CG 4.33Å; M141-Q159 PolarHBondContact N-O 2.98Å; M141-Q159 PolarHBondContact O-N 2.81Å; M141-L161 HydrophobicContact CB-CD1 4.03Å; M141-L161 HydrophobicContact CB-CG 4.32Å; M141-L161 HydrophobicContact CE-CD2 4.33Å
142	V	79.9	Confident	80.6	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	148.6	179.7	-59.6	0	0	0	0	111.2	W78 A79 L81 V140 Y144 Y150 V153 T158	W78-V142 VanDerWaalsContact CA-O 3.28Å; W78-V142 WeakPolarHBondContact CA-O 3.43Å; A79-V142 HydrophobicContact CB-CG2 3.72Å; A79-V142 PolarHBondContact N-O 2.74Å; A79-V142 WeakPolarHBondContact O-CG2 3.48Å; A79-V142 PolarHBondContact O-N 2.85Å; L81-V142 HydrophobicContact CD1-CB 4.4Å; L81-V142 HydrophobicContact CD1-CG1 3.6Å; L81-V142 HydrophobicContact CD1-CG2 3.86Å; L81-V142 HydrophobicContact CG-CG1 4.39Å; L81-V142 HydrophobicContact CG-CG2 4.22Å; V140-V142 HydrophobicContact CG2-CG1 4.33Å; V142-Y144 HydrophobicContact CB-CD1 3.92Å; V142-Y144 HydrophobicContact CB-CE1 3.49Å; V142-Y144 VanDerWaalsContact CB-CE1 3.49Å; V142-Y144 HydrophobicContact CG1-CE1 3.67Å; V142-Y144 HydrophobicContact CG2-CE1 4.2Å; V142-Y150 HydrophobicContact CG2-CD1 4.09Å; V142-Y150 HydrophobicContact CG2-CE1 3.88Å; V142-V153 HydrophobicContact CG1-CG1 4.25Å; V142-T158 HydrophobicContact CG1-CG2 4.15Å
143	T	75.4	Confident	80.5	Confident	19 Å²	19	33.8 Å²	33.8	12%	0.117	19%	0.187	C	C	.	.			trans	-111.9	9.1	-174.3	59.7	0	0	0	0	114.7	S77 W78 Q157	S77-T143 CarbonylContact O-C 3.11Å; S77-T143 VanDerWaalsContact O-CA 3.23Å; S77-T143 WeakPolarHBondContact O-CA 3.16Å; S77-T143 VanDerWaalsContact O-O 3.06Å; W78-T143 HydrophobicContact CD2-CG2 4.01Å; W78-T143 HydrophobicContact CE3-CG2 3.57Å; W78-T143 HydrophobicContact CH2-CG2 3.42Å; W78-T143 VanDerWaalsContact CH2-CG2 3.42Å; W78-T143 HydrophobicContact CZ2-CG2 3.87Å; W78-T143 HydrophobicContact CZ3-CG2 3.27Å; T143-Q157 PolarHBondContact N-O 3.45Å; T143-Q157 PolarHBondContact OG1-O 3.08Å
144	Y	74	Confident	80.1	Confident	9 Å²	9	36.5 Å²	36.5	4%	0.035	20%	0.201	C	C	.	.	S	Bend	trans	-109.4	156.6	-178.3	59	-96.8	0	0	0	112.1	S77 V142 F148 G149 Y150 D154 Q157	S77-Y144 PolarHBondContact OG-O 2.96Å; V142-Y144 HydrophobicContact CB-CD1 3.92Å; V142-Y144 HydrophobicContact CB-CE1 3.49Å; V142-Y144 VanDerWaalsContact CB-CE1 3.49Å; V142-Y144 HydrophobicContact CG1-CE1 3.67Å; V142-Y144 HydrophobicContact CG2-CE1 4.2Å; Y144-F148 HydrophobicContact CD2-CB 4.34Å; Y144-G149 VanDerWaalsContact CE2-O 3.3Å; Y144-G149 WeakPolarHBondContact CE2-O 3.26Å; Y144-Y150 AromaticContact CE2-CD1 3.68Å; Y144-Y150 HydrophobicContact CE2-CD1 3.68Å; Y144-Y150 HydrophobicContact CE2-CE1 4.12Å; Y144-Y150 PolarHBondContact OH-O 3.45Å; Y144-D154 HydrophobicContact CD1-CB 4.42Å; Y144-D154 HydrophobicContact CE1-CB 4.07Å; Y144-Q157 HydrophobicContact CD1-CB 3.8Å
145	P	69.8	Low	79.6	Confident	43 Å²	43	36.8 Å²	36.8	28%	0.279	20%	0.202	S	C	.	.			trans	-77	150.9	-178.4	29.3	-34.3	0	0	0	113.7	S77 H147 F148	S77-P145 WeakPolarHBondContact OG-CA 3.48Å; S77-P145 WeakPolarHBondContact OG-CB 3.34Å; P145-H147 PolarHBondContact O-N 2.85Å; P145-F148 HydrophobicContact CG-CD2 3.59Å; P145-F148 HydrophobicContact CG-CE2 3.51Å; P145-F148 PolarHBondContact O-N 2.82Å; P145-F148 VanDerWaalsContact O-N 3.09Å
146	I	69.9	Low	78.9	Confident	60 Å²	60	41.2 Å²	41.2	31%	0.308	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-56.2	-25	-177.1	-160	158.6	0	0	0	114	W94 F148 G149 Y150	W94-I146 HydrophobicContact CH2-CD1 4.3Å; W94-I146 HydrophobicContact CH2-CG1 4.49Å; W94-I146 HydrophobicContact CZ2-CD1 3.33Å; W94-I146 HydrophobicContact CZ2-CG1 3.92Å; I146-F148 PolarHBondContact O-N 3.35Å; I146-G149 PolarHBondContact O-N 3.16Å; I146-Y150 HydrophobicContact CB-CE2 4.26Å; I146-Y150 WeakPolarHBondContact CB-OH 3.47Å; I146-Y150 HydrophobicContact CD1-CE2 3.63Å; I146-Y150 HydrophobicContact CG1-CD2 4.3Å; I146-Y150 HydrophobicContact CG1-CE2 3.51Å
147	H	68.2	Low	78.2	Confident	175 Å²	175	45.2 Å²	45.2	81%	0.81	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-62.2	-20.4	177.8	-58.9	-56.3	0	0	0	113.7	P145 G149	P145-H147 PolarHBondContact O-N 2.85Å; H147-G149 VanDerWaalsContact C-N 3.29Å
148	F	70.3	Confident	77.5	Confident	162 Å²	162	45.3 Å²	45.3	71%	0.711	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-82.4	-6.8	173.3	-66.4	-65.5	0	0	0	113.4	Y144 P145 I146	Y144-F148 HydrophobicContact CD2-CB 4.34Å; P145-F148 HydrophobicContact CG-CD2 3.59Å; P145-F148 HydrophobicContact CG-CE2 3.51Å; P145-F148 PolarHBondContact O-N 2.82Å; P145-F148 VanDerWaalsContact O-N 3.09Å; I146-F148 PolarHBondContact O-N 3.35Å
149	G	75.1	Confident	77	Confident	34 Å²	34	47.7 Å²	47.7	35%	0.351	25%	0.252	S	S	.	.			trans	74	151	-168.6	0	0	0	0	0	111.7	Y144 I146 H147	Y144-G149 VanDerWaalsContact CE2-O 3.3Å; Y144-G149 WeakPolarHBondContact CE2-O 3.26Å; I146-G149 PolarHBondContact O-N 3.16Å; H147-G149 VanDerWaalsContact C-N 3.29Å
150	Y	77.3	Confident	76.8	Confident	20 Å²	20	47.8 Å²	47.8	8%	0.078	25%	0.252	C	S	.	.	S	Bend	trans	-92.6	-14	178.9	-68.7	-48.6	0	0	0	113.8	A79 L81 V90 P93 V142 Y144 I146 P152 V153	A79-Y150 HydrophobicContact CB-CE1 3.92Å; A79-Y150 WeakPolarHBondContact CB-OH 3.17Å; L81-Y150 HydrophobicContact CD1-CD1 3.76Å; L81-Y150 HydrophobicContact CD1-CG 3.86Å; L81-Y150 HydrophobicContact CD2-CD1 4.09Å; L81-Y150 HydrophobicContact CD2-CD2 3.77Å; L81-Y150 HydrophobicContact CD2-CE2 4.2Å; L81-Y150 HydrophobicContact CD2-CG 3.71Å; L81-Y150 HydrophobicContact CG-CD1 4.43Å; L81-Y150 HydrophobicContact CG-CG 4.41Å; V90-Y150 WeakPolarHBondContact CG2-O 3.39Å; P93-Y150 HydrophobicContact CG-CD2 4.19Å; P93-Y150 HydrophobicContact CG-CE2 4.37Å; V142-Y150 HydrophobicContact CG2-CD1 4.09Å; V142-Y150 HydrophobicContact CG2-CE1 3.88Å; Y144-Y150 AromaticContact CE2-CD1 3.68Å; Y144-Y150 HydrophobicContact CE2-CD1 3.68Å; Y144-Y150 HydrophobicContact CE2-CE1 4.12Å; Y144-Y150 PolarHBondContact OH-O 3.45Å; I146-Y150 HydrophobicContact CB-CE2 4.26Å; I146-Y150 WeakPolarHBondContact CB-OH 3.47Å; I146-Y150 HydrophobicContact CD1-CE2 3.63Å; I146-Y150 HydrophobicContact CG1-CD2 4.3Å; I146-Y150 HydrophobicContact CG1-CE2 3.51Å; Y150-P152 CarbonylContact O-C 2.96Å; Y150-V153 VanDerWaalsContact O-CG2 3.23Å; Y150-V153 WeakPolarHBondContact O-CG2 2.95Å
151	S	79.3	Confident	76.7	Confident	66 Å²	66	48 Å²	48	46%	0.462	25%	0.253	S	S	.	.	S	Bend	trans	-119.1	132.4	175.2	176.6	0	0	0	0	110.9	T88	T88-S151 PolarHBondContact O-OG 2.79Å
152	P	78.7	Confident	77	Confident	94 Å²	94	47.5 Å²	47.5	61%	0.61	25%	0.251	S	S	*	.	S	Bend	cis	-72.4	155.2	-7.6	32.9	-36.6	0	0	0	111.9	T88 Y150 D154	T88-P152 HydrophobicContact CG2-CB 4.11Å; Y150-P152 CarbonylContact O-C 2.96Å; P152-D154 PolarHBondContact O-N 2.89Å
153	V	78	Confident	77.4	Confident	9 Å²	9	47.5 Å²	47.5	6%	0.055	25%	0.251	C	S	.	.			trans	-75	122.8	-177.2	173.9	0	0	0	0	110.4	L81 I83 W87 V90 V142 Y150 L155 T158	L81-V153 HydrophobicContact CD1-CG2 4.4Å; I83-V153 HydrophobicContact CD1-CB 4.18Å; I83-V153 HydrophobicContact CD1-CG1 4.17Å; I83-V153 HydrophobicContact CD1-CG2 3.62Å; I83-V153 HydrophobicContact CG1-CG2 4.17Å; W87-V153 HydrophobicContact CE3-CB 4.16Å; W87-V153 HydrophobicContact CE3-CG1 4.04Å; W87-V153 HydrophobicContact CZ3-CG1 4.26Å; W87-V153 PolarHBondContact O-N 2.9Å; V90-V153 HydrophobicContact CG2-CG2 3.5Å; V90-V153 VanDerWaalsContact CG2-CG2 3.5Å; V142-V153 HydrophobicContact CG1-CG1 4.25Å; Y150-V153 VanDerWaalsContact O-CG2 3.23Å; Y150-V153 WeakPolarHBondContact O-CG2 2.95Å; V153-L155 HydrophobicContact CG1-CD2 4.49Å; V153-L155 PolarHBondContact O-N 2.93Å; V153-T158 HydrophobicContact CG1-CG2 3.82Å; V153-T158 WeakPolarHBondContact CG1-OG1 3.24Å
154	D	78.5	Confident	78.2	Confident	57 Å²	57	46.6 Å²	46.6	31%	0.305	25%	0.246	S	C	.	.			trans	-71.6	99.9	173.2	-180	6.3	0	0	0	111	Y144 P152 K156 Q157 T158	Y144-D154 HydrophobicContact CD1-CB 4.42Å; Y144-D154 HydrophobicContact CE1-CB 4.07Å; P152-D154 PolarHBondContact O-N 2.89Å; D154-K156 PolarHBondContact O-N 3.46Å; D154-K156 VanDerWaalsContact O-N 3.11Å; D154-K156 WeakPolarHBondContact OD1-CB 3.36Å; D154-K156 PolarHBondContact OD1-N 2.96Å; D154-Q157 HydrophobicContact CB-CB 4.5Å; D154-Q157 CarbonylContact O-C 3.47Å; D154-Q157 PolarHBondContact O-N 3.24Å; D154-Q157 WeakPolarHBondContact OD2-CG 3.29Å; D154-Q157 PolarHBondContact OD2-NE2 3.46Å; D154-T158 WeakPolarHBondContact O-CB 3.45Å; D154-T158 PolarHBondContact O-N 2.81Å; D154-T158 PolarHBondContact O-OG1 3.24Å
155	L	76.4	Confident	79	Confident	12 Å²	12	46.2 Å²	46.2	6%	0.063	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-59.5	-25.1	-177.6	-51.5	176	0	0	0	113.4	W87 V153 T226 L299	W87-L155 HydrophobicContact CB-CD2 4.34Å; W87-L155 HydrophobicContact CD2-CD2 3.31Å; W87-L155 HydrophobicContact CE3-CD2 3.22Å; W87-L155 HydrophobicContact CG-CD2 3.79Å; W87-L155 HydrophobicContact CH2-CD2 4.06Å; W87-L155 HydrophobicContact CZ2-CD2 4.13Å; W87-L155 HydrophobicContact CZ3-CD2 3.59Å; V153-L155 HydrophobicContact CG1-CD2 4.49Å; V153-L155 PolarHBondContact O-N 2.93Å; L155-T226 HydrophobicContact CD1-CG2 4.42Å; L155-L299 HydrophobicContact CB-CB 3.82Å; L155-L299 HydrophobicContact CB-CD1 3.64Å; L155-L299 HydrophobicContact CB-CD2 3.87Å; L155-L299 HydrophobicContact CB-CG 3.95Å; L155-L299 HydrophobicContact CD1-CB 4.23Å; L155-L299 HydrophobicContact CD1-CD2 3.58Å; L155-L299 HydrophobicContact CD1-CG 4.4Å; L155-L299 HydrophobicContact CG-CD2 4.3Å
156	K	75.1	Confident	79.9	Confident	95 Å²	95	44.4 Å²	44.4	41%	0.413	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-67.7	-38.7	176.3	-73.8	179.2	157.1	170.9	0	111.8	D154 T158 N298	D154-K156 PolarHBondContact O-N 3.46Å; D154-K156 VanDerWaalsContact O-N 3.11Å; D154-K156 WeakPolarHBondContact OD1-CB 3.36Å; D154-K156 PolarHBondContact OD1-N 2.96Å; K156-T158 VanDerWaalsContact C-N 3.34Å; K156-N298 WeakPolarHBondContact CE-OD1 3.49Å; K156-N298 VanDerWaalsContact NZ-CG 3.31Å; K156-N298 PolarHBondContact NZ-ND2 2.73Å
157	Q	76.4	Confident	80.8	Confident	84 Å²	84	41.7 Å²	41.7	39%	0.393	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-98.8	14.5	-177.1	-66.4	-176.2	70.2	0	0	112.8	T143 Y144 D154	T143-Q157 PolarHBondContact N-O 3.45Å; T143-Q157 PolarHBondContact OG1-O 3.08Å; Y144-Q157 HydrophobicContact CD1-CB 3.8Å; D154-Q157 HydrophobicContact CB-CB 4.5Å; D154-Q157 CarbonylContact O-C 3.47Å; D154-Q157 PolarHBondContact O-N 3.24Å; D154-Q157 WeakPolarHBondContact OD2-CG 3.29Å; D154-Q157 PolarHBondContact OD2-NE2 3.46Å
158	T	77.7	Confident	81.6	Confident	3 Å²	3	33.6 Å²	33.6	2%	0.018	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	140.2	-177.1	-58.2	0	0	0	0	111.1	K33 W87 V140 M141 V142 V153 D154 K156	K33-T158 PolarHBondContact NZ-O 3.21Å; W87-T158 HydrophobicContact CZ3-CG2 4.34Å; V140-T158 HydrophobicContact CB-CG2 3.56Å; V140-T158 HydrophobicContact CG1-CG2 4.18Å; V140-T158 HydrophobicContact CG2-CG2 3.76Å; M141-T158 CarbonylContact O-C 3.51Å; M141-T158 WeakPolarHBondContact O-CA 3.34Å; V142-T158 HydrophobicContact CG1-CG2 4.15Å; V153-T158 HydrophobicContact CG1-CG2 3.82Å; V153-T158 WeakPolarHBondContact CG1-OG1 3.24Å; D154-T158 WeakPolarHBondContact O-CB 3.45Å; D154-T158 PolarHBondContact O-N 2.81Å; D154-T158 PolarHBondContact O-OG1 3.24Å; K156-T158 VanDerWaalsContact C-N 3.34Å
159	Q	80.3	Confident	82	Confident	49 Å²	49	28.1 Å²	28.1	23%	0.229	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	123.7	168.6	-178.1	172.2	-5.9	0	0	108.8	V140 M141 L161	V140-Q159 CarbonylContact C-O 3.55Å; V140-Q159 WeakPolarHBondContact CA-O 3.14Å; M141-Q159 HydrophobicContact CE-CB 4.13Å; M141-Q159 HydrophobicContact CE-CG 4.33Å; M141-Q159 PolarHBondContact N-O 2.98Å; M141-Q159 PolarHBondContact O-N 2.81Å; Q159-L161 HydrophobicContact CG-CD2 4.31Å
160	L	84.7	Confident	81.7	Confident	2 Å²	2	28.3 Å²	28.3	1%	0.01	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	127.5	172.8	178.5	64.2	0	0	0	109	W35 W87 A138 V140 I163 A227 M230	W35-L160 HydrophobicContact CB-CB 4.19Å; W35-L160 HydrophobicContact CB-CD2 3.75Å; W35-L160 HydrophobicContact CB-CG 3.64Å; W35-L160 HydrophobicContact CD2-CD2 3.9Å; W35-L160 HydrophobicContact CG-CD2 3.46Å; W35-L160 VanDerWaalsContact CG-CD2 3.46Å; W35-L160 HydrophobicContact CG-CG 3.95Å; W87-L160 HydrophobicContact CH2-CD1 4.32Å; A138-L160 HydrophobicContact CB-CD1 3.74Å; V140-L160 HydrophobicContact CG1-CD1 3.86Å; L160-I163 HydrophobicContact CD1-CD1 4.29Å; L160-I163 HydrophobicContact CD1-CG1 3.92Å; L160-I163 HydrophobicContact CD2-CD1 3.73Å; L160-I163 HydrophobicContact CD2-CG1 4.08Å; L160-I163 HydrophobicContact CG-CG1 4.4Å; L160-A227 HydrophobicContact CD2-CB 3.41Å; L160-A227 VanDerWaalsContact CD2-CB 3.41Å; L160-M230 HydrophobicContact CB-SD 4.16Å; L160-M230 HydrophobicContact CD2-SD 4.32Å
161	L	84.2	Confident	80.8	Confident	5 Å²	5	32.5 Å²	32.5	3%	0.026	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	-55.5	-178.9	-62.3	-179.6	0	0	0	111.1	W35 E36 C53 V54 I63 L80 C139 M141 Q159	W35-L161 CarbonylContact C-O 3.56Å; W35-L161 WeakPolarHBondContact CA-O 3.25Å; E36-L161 PolarHBondContact N-O 3.37Å; C53-L161 WeakPolarHBondContact SG-CD1 3.43Å; V54-L161 HydrophobicContact CG2-CB 4.41Å; V54-L161 HydrophobicContact CG2-CD1 4.34Å; I63-L161 HydrophobicContact CD1-CD2 3.45Å; I63-L161 VanDerWaalsContact CD1-CD2 3.45Å; I63-L161 HydrophobicContact CG1-CD2 4.3Å; L80-L161 HydrophobicContact CD1-CD1 3.51Å; C139-L161 HydrophobicContact CB-CB 4.36Å; C139-L161 WeakPolarHBondContact O-CB 3.32Å; C139-L161 PolarHBondContact O-N 3.45Å; M141-L161 HydrophobicContact CB-CD1 4.03Å; M141-L161 HydrophobicContact CB-CG 4.32Å; M141-L161 HydrophobicContact CE-CD2 4.33Å; Q159-L161 HydrophobicContact CG-CD2 4.31Å
162	S	87	Confident	79.6	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	157.5	-179.2	67.1	0	0	0	0	112.4	E36 C53 A138 C139 H164	E36-S162 CarbonylContact O-C 3.58Å; E36-S162 VanDerWaalsContact O-CA 3.26Å; E36-S162 WeakPolarHBondContact O-CA 3.09Å; C53-S162 WeakPolarHBondContact O-CB 3.48Å; C53-S162 PolarHBondContact O-OG 2.97Å; A138-S162 WeakPolarHBondContact CA-O 3.32Å; C139-S162 VanDerWaalsContact CB-OG 3.32Å; C139-S162 WeakPolarHBondContact CB-OG 3.18Å; C139-S162 PolarHBondContact N-O 3.31Å; C139-S162 PolarHBondContact O-N 2.78Å; S162-H164 VanDerWaalsContact CB-NE2 3.34Å; S162-H164 WeakPolarHBondContact CB-NE2 3.47Å; S162-H164 PolarHBondContact OG-CD2 3.31Å; S162-H164 PolarHBondContact OG-NE2 2.62Å
163	I	90	Very high	78.1	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	133.6	171.1	-66.2	-173.5	0	0	0	110.1	W35 E36 P38 F39 I136 Y137 A138 L160 I223 A227	W35-I163 HydrophobicContact CD2-CD1 4.43Å; W35-I163 HydrophobicContact CE3-CB 4.12Å; W35-I163 HydrophobicContact CE3-CD1 4.12Å; W35-I163 HydrophobicContact CE3-CG1 3.97Å; W35-I163 HydrophobicContact CH2-CD1 4.39Å; W35-I163 HydrophobicContact CZ3-CB 3.87Å; W35-I163 HydrophobicContact CZ3-CD1 4.08Å; W35-I163 HydrophobicContact CZ3-CG1 4.1Å; E36-I163 PolarHBondContact O-N 2.91Å; P38-I163 WeakPolarHBondContact CA-O 3.25Å; P38-I163 HydrophobicContact CB-CG2 4.14Å; F39-I163 WeakPolarHBondContact CD2-O 3.43Å; F39-I163 PolarHBondContact N-O 2.68Å; I136-I163 HydrophobicContact CG2-CG2 3.73Å; Y137-I163 CarbonylContact O-C 3.59Å; Y137-I163 WeakPolarHBondContact O-CA 3.48Å; A138-I163 HydrophobicContact CB-CG1 4.41Å; L160-I163 HydrophobicContact CD1-CD1 4.29Å; L160-I163 HydrophobicContact CD1-CG1 3.92Å; L160-I163 HydrophobicContact CD2-CD1 3.73Å; L160-I163 HydrophobicContact CD2-CG1 4.08Å; L160-I163 HydrophobicContact CG-CG1 4.4Å; I163-I223 HydrophobicContact CD1-CG2 4.2Å; I163-A227 HydrophobicContact CD1-CB 3.1Å; I163-A227 HydrophobicContact CG1-CB 4.47Å
164	H	90.6	Very high	76.6	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	134.1	179.3	-55.2	-99.8	0	0	0	108.7	F39 Y41 L51 P52 W82 I136 Y137 S162	F39-H164 AromaticContact CD2-CE1 3.51Å; F39-H164 AromaticContact CD2-ND1 3.8Å; F39-H164 CarbonylContact O-C 3.57Å; F39-H164 WeakPolarHBondContact O-CA 3.47Å; Y41-H164 HydrophobicContact CD2-CB 4.26Å; Y41-H164 HydrophobicContact CE2-CB 3.78Å; Y41-H164 AromaticContact CE2-CG 3.92Å; Y41-H164 AromaticContact CE2-ND1 3.31Å; Y41-H164 VanDerWaalsContact CE2-ND1 3.31Å; Y41-H164 WeakPolarHBondContact CE2-ND1 3.32Å; Y41-H164 AromaticContact CZ-ND1 3.62Å; Y41-H164 PolarHBondContact OH-ND1 3.4Å; Y41-H164 VanDerWaalsContact OH-ND1 3.11Å; L51-H164 HydrophobicContact CD1-CB 4.12Å; L51-H164 HydrophobicContact CD2-CB 4.21Å; P52-H164 PolarHBondContact O-CE1 2.92Å; P52-H164 PolarHBondContact O-NE2 3.03Å; W82-H164 AromaticContact CH2-CD2 3.7Å; W82-H164 AromaticContact CH2-NE2 3.69Å; W82-H164 AromaticContact CZ3-CD2 3.64Å; I136-H164 CarbonylContact C-O 3.52Å; I136-H164 WeakPolarHBondContact CA-O 3.41Å; Y137-H164 PolarHBondContact N-O 2.73Å; Y137-H164 PolarHBondContact O-N 2.88Å; S162-H164 VanDerWaalsContact CB-NE2 3.34Å; S162-H164 WeakPolarHBondContact CB-NE2 3.47Å; S162-H164 PolarHBondContact OG-CD2 3.31Å; S162-H164 PolarHBondContact OG-NE2 2.62Å
165	M	90.8	Very high	75	Confident	1 Å²	1	35.8 Å²	35.8	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	117.7	173.2	-62.3	-173	176.7	0	0	107.5	P38 F39 Y40 Y41 I136 F224 V255 W351	P38-M165 HydrophobicContact CB-CE 4.02Å; P38-M165 HydrophobicContact CB-CG 4.49Å; P38-M165 HydrophobicContact CG-CE 4.29Å; F39-M165 PolarHBondContact O-N 2.66Å; Y40-M165 WeakPolarHBondContact CA-O 3.31Å; Y40-M165 HydrophobicContact CD1-CB 4.21Å; Y40-M165 HydrophobicContact CD1-SD 4.21Å; Y40-M165 HydrophobicContact CE1-SD 4.08Å; Y41-M165 PolarHBondContact N-O 2.88Å; I136-M165 HydrophobicContact CG1-CG 4.37Å; M165-F224 HydrophobicContact CE-CB 4.46Å; M165-F224 HydrophobicContact CE-CD2 3.21Å; M165-F224 HydrophobicContact CE-CE2 3.45Å; M165-F224 VanDerWaalsContact CE-CE2 3.45Å; M165-F224 HydrophobicContact CE-CG 3.92Å; M165-F224 HydrophobicContact CE-CZ 4.29Å; M165-V255 HydrophobicContact CB-CG1 3.6Å; M165-V255 HydrophobicContact SD-CG1 4.23Å; M165-W351 HydrophobicContact CE-CB 4.21Å; M165-W351 HydrophobicContact CE-CD2 4.23Å; M165-W351 HydrophobicContact CE-CE3 3.5Å; M165-W351 HydrophobicContact CE-CZ3 4.14Å; M165-W351 HydrophobicContact SD-CB 4.26Å; M165-W351 HydrophobicContact SD-CE3 3.59Å; M165-W351 VanDerWaalsContact SD-CE3 3.59Å; M165-W351 HydrophobicContact SD-CZ3 4.35Å
166	V	90.1	Very high	73.4	Confident	4 Å²	4	40.5 Å²	40.5	2%	0.024	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	125.8	-178.4	-178.1	0	0	0	0	108	Y41 V43 L51 V134 G135 Y137 V168	Y41-V166 HydrophobicContact CD2-CG2 4.25Å; V43-V166 HydrophobicContact CG2-CG1 4.03Å; L51-V166 HydrophobicContact CD1-CG2 3.96Å; L51-V166 HydrophobicContact CD2-CG2 3.92Å; V134-V166 WeakPolarHBondContact CA-O 3.19Å; G135-V166 PolarHBondContact N-O 2.95Å; G135-V166 PolarHBondContact O-N 3.02Å; Y137-V166 HydrophobicContact CD2-CB 4.2Å; Y137-V166 HydrophobicContact CD2-CG2 3.72Å; Y137-V166 HydrophobicContact CE2-CB 3.97Å; Y137-V166 HydrophobicContact CE2-CG2 3.87Å; V166-V168 HydrophobicContact CG1-CG2 4.35Å
167	R	87.8	Confident	71.8	Confident	4 Å²	4	43.6 Å²	43.6	2%	0.015	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	137.1	170.4	-179.2	-175.3	-174.1	156.2	10.9	109.3	Y41 V43 D251 T253 V255 L352 E355	Y41-R167 PolarHBondContact O-N 2.92Å; V43-R167 PolarHBondContact N-O 2.85Å; R167-D251 IonicContact CZ-OD2 2.75Å; R167-D251 IonicContact NH2-OD2 3.38Å; R167-D251 PolarHBondContact NH2-OD2 3.03Å; R167-T253 VanDerWaalsContact NH1-C 3.34Å; R167-T253 PolarHBondContact NH1-O 3.39Å; R167-T253 PolarHBondContact NH1-OG1 2.88Å; R167-V255 HydrophobicContact CB-CG2 3.43Å; R167-V255 VanDerWaalsContact CB-CG2 3.43Å; R167-V255 HydrophobicContact CG-CG2 4.4Å; R167-L352 HydrophobicContact CB-CD2 4.22Å; R167-L352 VanDerWaalsContact CD-CD2 3.46Å; R167-L352 HydrophobicContact CG-CD2 3.79Å; R167-E355 IonicContact CZ-OE2 3.78Å; R167-E355 IonicContact NE-OE2 3.6Å; R167-E355 IonicContact NH2-OE2 2.85Å; R167-E355 PolarHBondContact NH2-OE2 3.41Å
168	V	85.4	Confident	70.5	Confident	5 Å²	5	41.5 Å²	41.5	3%	0.03	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	123.9	-177.7	-176.3	0	0	0	0	109.3	V43 I45 V129 D130 D133 V134 V166	V43-V168 CarbonylContact O-C 3.16Å; V43-V168 VanDerWaalsContact O-CA 3.25Å; V43-V168 WeakPolarHBondContact O-CA 2.97Å; I45-V168 HydrophobicContact CG1-CG1 4.11Å; V129-V168 HydrophobicContact CG1-CB 4.21Å; V129-V168 HydrophobicContact CG1-CG1 3.79Å; V129-V168 HydrophobicContact CG1-CG2 3.34Å; D130-V168 WeakPolarHBondContact O-CG2 3.17Å; D133-V168 HydrophobicContact CB-CG2 4.46Å; V134-V168 HydrophobicContact CG2-CB 3.64Å; V134-V168 HydrophobicContact CG2-CG2 3.7Å; V166-V168 HydrophobicContact CG1-CG2 4.35Å
169	H	79.6	Confident	69	Low	47 Å²	47	49 Å²	49	22%	0.218	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	131.3	177	-70.1	-80.1	0	0	0	110	D42 V43 F44 I45	D42-H169 IonicContact OD1-CD2 2.68Å; D42-H169 IonicContact OD1-CE1 3.75Å; D42-H169 IonicContact OD1-NE2 2.88Å; D42-H169 PolarHBondContact OD1-NE2 2.79Å; V43-H169 PolarHBondContact O-N 3.19Å; F44-H169 WeakPolarHBondContact CA-O 3.36Å; F44-H169 HydrophobicContact CD1-CB 3.95Å; F44-H169 HydrophobicContact CE1-CB 4.08Å; I45-H169 PolarHBondContact N-O 3.18Å; I45-H169 VanDerWaalsContact N-O 3.08Å
170	S	68.8	Low	67.3	Low	38 Å²	38	53.1 Å²	53.1	27%	0.266	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-81.9	132.1	159.6	56.7	0	0	0	0	110.1	F195	S170-F195 WeakPolarHBondContact OG-CE2 3.39Å
171	N	57.5	Low	65.4	Low	108 Å²	108	61.9 Å²	61.9	58%	0.578	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-63	136.9	146.5	-75.3	-18	0	0	0	107.5	F44 I173	F44-N171 WeakPolarHBondContact CE1-OD1 3.31Å; N171-I173 VanDerWaalsContact C-N 3.35Å; N171-I173 PolarHBondContact O-N 2.98Å
172	L	54.4	Low	63.5	Low	101 Å²	101	68.2 Å²	68.2	53%	0.529	36%	0.36	S	S	.	.			trans	-61.4	96.5	174.7	-69.3	160.4	0	0	0	108.4	K192	L172-K192 HydrophobicContact CB-CB 4.31Å; L172-K192 HydrophobicContact CB-CD 4.34Å; L172-K192 HydrophobicContact CD1-CD 4.21Å; L172-K192 HydrophobicContact CD2-CB 3.92Å; L172-K192 HydrophobicContact CD2-CD 4.37Å
173	I	46.2	Very low	61.6	Low	108 Å²	108	75.5 Å²	75.5	55%	0.554	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-88.9	134	172.8	-59.9	168.1	0	0	0	107.6	N171 K192 T193	N171-I173 VanDerWaalsContact C-N 3.35Å; N171-I173 PolarHBondContact O-N 2.98Å; I173-K192 CarbonylContact O-C 3.58Å; I173-T193 CarbonylContact O-C 3.41Å; I173-T193 VanDerWaalsContact O-C 3.28Å; I173-T193 WeakPolarHBondContact O-CA 3.3Å; I173-T193 PolarHBondContact O-N 2.94Å; I173-T193 VanDerWaalsContact O-O 3.09Å
174	V	47.1	Very low	59.4	Low	80 Å²	80	82.7 Å²	82.7	49%	0.485	44%	0.438	S	S	.	.	B	Isolated β-bridge	trans	-75.1	132.7	173.9	179.9	0	0	0	0	108.4	C178 C191	V174-C178 HydrophobicContact CG1-CB 3.87Å; V174-C191 WeakPolarHBondContact CA-O 3.33Å
175	A	45.8	Very low	57.3	Low	6 Å²	6	88.8 Å²	88.8	5%	0.05	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-58.7	142.8	176.5	0	0	0	0	0	110.5	E177 C178 C191 T193	A175-E177 PolarHBondContact O-N 3.16Å; A175-C178 WeakPolarHBondContact O-CB 3.13Å; A175-C178 PolarHBondContact O-N 3.36Å; A175-C191 PolarHBondContact N-O 3.01Å; A175-T193 VanDerWaalsContact CA-OG1 3.28Å; A175-T193 WeakPolarHBondContact CA-OG1 3.27Å; A175-T193 HydrophobicContact CB-CG2 3.79Å; A175-T193 VanDerWaalsContact CB-OG1 3.28Å; A175-T193 WeakPolarHBondContact CB-OG1 3.48Å; A175-T193 PolarHBondContact N-OG1 3.29Å
176	P	41	Very low	55	Low	111 Å²	111	98.2 Å²	98.2	72%	0.721	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-55.9	-35.3	174.3	-22.5	32	0	0	0	112.9	C178 Q179	P176-C178 PolarHBondContact O-N 2.9Å; P176-Q179 PolarHBondContact O-N 2.9Å; P176-Q179 VanDerWaalsContact O-N 3.15Å
177	E	43.2	Very low	52.7	Low	159 Å²	159	103.7 Å²	103.7	74%	0.743	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-63.1	-10	177.7	-59.5	173.6	178.3	0	0	113.7	A175	A175-E177 PolarHBondContact O-N 3.16Å
178	C	47.8	Very low	50.4	Low	40 Å²	40	104.9 Å²	104.9	27%	0.27	56%	0.556	S	S	.	*	G	3₁₀ helix	trans	-106.1	14	179.3	-63.8	0	0	0	0	113.1	V174 A175 P176 C191	V174-C178 HydrophobicContact CG1-CB 3.87Å; A175-C178 WeakPolarHBondContact O-CB 3.13Å; A175-C178 PolarHBondContact O-N 3.36Å; P176-C178 PolarHBondContact O-N 2.9Å; C178-C191 HydrophobicContact CB-CB 3.56Å; C178-C191 WeakPolarHBondContact CB-SG 3.49Å; C178-C191 VanDerWaalsContact SG-CA 3.52Å; C178-C191 WeakPolarHBondContact SG-CB 3.4Å; C178-C191 CovalentContact SG-SG 2.05Å; C178-C191 PolarHBondContact SG-SG 2.95Å
179	Q	47.7	Very low	48.5	Very low	162 Å²	162	108.9 Å²	108.9	76%	0.757	58%	0.578	S	S	*	*			trans	-72	-18	168.5	-76.4	-171.5	-11.9	0	0	112.6	P176 E181	P176-Q179 PolarHBondContact O-N 2.9Å; P176-Q179 VanDerWaalsContact O-N 3.15Å; Q179-E181 PolarHBondContact O-N 3.37Å
180	D	44.8	Very low	46.7	Very low	134 Å²	134	115.2 Å²	115.2	72%	0.717	60%	0.601	S	S	*	*	S	Bend	trans	-80.2	115	179.6	-65.4	-28.3	0	0	0	109.9	D182	D180-D182 PolarHBondContact O-N 3.18Å
181	E	43.8	Very low	45.6	Very low	186 Å²	186	115.7 Å²	115.7	87%	0.869	60%	0.604	S	S	*	*			trans	-67.4	51.4	-174.1	-60.8	-178.2	150	0	0	113.9	Q179 D183	Q179-E181 PolarHBondContact O-N 3.37Å; E181-D183 PolarHBondContact O-N 3.11Å
182	D	43.7	Very low	45	Very low	138 Å²	138	115.1 Å²	115.1	74%	0.738	60%	0.596	S	S	*	*			trans	-85.3	110.7	172	-78.2	-22.5	0	0	0	110.5	D180 D184	D180-D182 PolarHBondContact O-N 3.18Å; D182-D184 PolarHBondContact O-N 3.07Å
183	D	48	Very low	44.7	Very low	153 Å²	153	111.2 Å²	111.2	82%	0.818	58%	0.576	S	S	*	*	S	Bend	trans	-52.8	20.6	-172.2	-90.9	-38.9	0	0	0	118.6	E181 L185	E181-D183 PolarHBondContact O-N 3.11Å; D183-L185 PolarHBondContact O-N 3.02Å
184	D	43.9	Very low	44.8	Very low	152 Å²	152	106.7 Å²	106.7	81%	0.813	56%	0.556	S	S	*	*			trans	-84.4	31.4	174.4	-79.6	-22.8	0	0	0	113.3	D182 Q186 N187	D182-D184 PolarHBondContact O-N 3.07Å; D184-Q186 VanDerWaalsContact C-N 3.26Å; D184-Q186 PolarHBondContact O-N 3.1Å; D184-Q186 VanDerWaalsContact O-N 3.1Å; D184-N187 PolarHBondContact O-N 2.81Å
185	L	45.5	Very low	44.9	Very low	128 Å²	128	103.5 Å²	103.5	67%	0.67	54%	0.536	S	S	*	.	G	3₁₀ helix	trans	-75.6	13.2	-172.5	-102.4	143.8	0	0	0	116.1	D183	D183-L185 PolarHBondContact O-N 3.02Å
186	Q	42.2	Very low	45.2	Very low	199 Å²	199	107.1 Å²	107.1	93%	0.93	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-75.6	-13.9	163.5	-73.7	-164.8	3.9	0	0	113	D184	D184-Q186 VanDerWaalsContact C-N 3.26Å; D184-Q186 PolarHBondContact O-N 3.1Å; D184-Q186 VanDerWaalsContact O-N 3.1Å
187	N	41.8	Very low	45.9	Very low	119 Å²	119	109.5 Å²	109.5	64%	0.636	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-118.2	36.6	175.8	-81.9	-31.1	0	0	0	112.8	D184 N189 Y190	D184-N187 PolarHBondContact O-N 2.81Å; N187-N189 PolarHBondContact O-N 2.68Å; N187-Y190 HydrophobicContact CB-CD2 4.37Å; N187-Y190 HydrophobicContact CB-CE2 4.38Å; N187-Y190 WeakPolarHBondContact O-CD2 3.44Å; N187-Y190 PolarHBondContact O-N 2.69Å
188	G	40.7	Very low	46.8	Very low	28 Å²	28	107.8 Å²	107.8	29%	0.289	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	16.1	-179.1	0	0	0	0	0	117.8
189	N	44.2	Very low	47.9	Very low	90 Å²	90	107.1 Å²	107.1	48%	0.481	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-18.3	172.8	-74.4	-9	0	0	0	113.4	N187 Y247	N187-N189 PolarHBondContact O-N 2.68Å; N189-Y247 WeakPolarHBondContact O-CE1 2.98Å
190	Y	42.8	Very low	49.3	Very low	180 Å²	180	104.5 Å²	104.5	71%	0.706	52%	0.518	S	S	*	.	S	Bend	trans	-76.3	-29.3	-178.2	-70.6	-77.7	0	0	0	113.3	N187	N187-Y190 HydrophobicContact CB-CD2 4.37Å; N187-Y190 HydrophobicContact CB-CE2 4.38Å; N187-Y190 WeakPolarHBondContact O-CD2 3.44Å; N187-Y190 PolarHBondContact O-N 2.69Å
191	C	45	Very low	50.9	Low	48 Å²	48	101.8 Å²	101.8	32%	0.324	50%	0.504	S	S	.	.	S	Bend	trans	-87.6	-6.5	-172.3	-82.8	0	0	0	0	116.3	V174 A175 C178 T193	V174-C191 WeakPolarHBondContact CA-O 3.33Å; A175-C191 PolarHBondContact N-O 3.01Å; C178-C191 HydrophobicContact CB-CB 3.56Å; C178-C191 WeakPolarHBondContact CB-SG 3.49Å; C178-C191 VanDerWaalsContact SG-CA 3.52Å; C178-C191 WeakPolarHBondContact SG-CB 3.4Å; C178-C191 CovalentContact SG-SG 2.05Å; C178-C191 PolarHBondContact SG-SG 2.95Å; C191-T193 PolarHBondContact O-N 2.91Å
192	K	45.7	Very low	52.4	Low	95 Å²	95	93.3 Å²	93.3	41%	0.413	47%	0.465	S	S	.	.	B	Isolated β-bridge	trans	-87.9	84.4	175.8	-62.4	-177.4	-176.3	177.7	0	109.4	L172 I173 Y247	L172-K192 HydrophobicContact CB-CB 4.31Å; L172-K192 HydrophobicContact CB-CD 4.34Å; L172-K192 HydrophobicContact CD1-CD 4.21Å; L172-K192 HydrophobicContact CD2-CB 3.92Å; L172-K192 HydrophobicContact CD2-CD 4.37Å; I173-K192 CarbonylContact O-C 3.58Å; K192-Y247 PolarHBondContact O-OH 3.25Å
193	T	48.3	Very low	53.9	Low	19 Å²	19	92.3 Å²	92.3	12%	0.117	45%	0.451	C	S	.	.			trans	-92.8	95.7	-177.4	56	0	0	0	0	111.7	I173 A175 C191 F195 E196	I173-T193 CarbonylContact O-C 3.41Å; I173-T193 VanDerWaalsContact O-C 3.28Å; I173-T193 WeakPolarHBondContact O-CA 3.3Å; I173-T193 PolarHBondContact O-N 2.94Å; I173-T193 VanDerWaalsContact O-O 3.09Å; A175-T193 VanDerWaalsContact CA-OG1 3.28Å; A175-T193 WeakPolarHBondContact CA-OG1 3.27Å; A175-T193 HydrophobicContact CB-CG2 3.79Å; A175-T193 VanDerWaalsContact CB-OG1 3.28Å; A175-T193 WeakPolarHBondContact CB-OG1 3.48Å; A175-T193 PolarHBondContact N-OG1 3.29Å; C191-T193 PolarHBondContact O-N 2.91Å; T193-F195 VanDerWaalsContact C-N 3.33Å; T193-F195 PolarHBondContact O-N 2.72Å; T193-E196 HydrophobicContact CG2-CG 4.03Å
194	G	47.3	Very low	54.9	Low	13 Å²	13	87.7 Å²	87.7	13%	0.134	42%	0.423	C	S	.	.	S	Bend	trans	-67.3	-25.8	168.8	0	0	0	0	0	114.7
195	F	50.5	Low	56	Low	14 Å²	14	81.8 Å²	81.8	6%	0.061	39%	0.393	C	S	.	.			trans	-159.5	64.2	-162	-68.1	-61.2	0	0	0	116.1	I45 P131 S170 T193 R199	I45-F195 HydrophobicContact CD1-CD1 3.96Å; I45-F195 HydrophobicContact CD1-CE1 2.99Å; I45-F195 HydrophobicContact CD1-CE2 4.26Å; I45-F195 HydrophobicContact CD1-CZ 3.23Å; I45-F195 HydrophobicContact CG1-CE1 3.38Å; I45-F195 HydrophobicContact CG1-CZ 3.43Å; I45-F195 VanDerWaalsContact CG1-CZ 3.43Å; P131-F195 HydrophobicContact CB-CD1 4.47Å; P131-F195 HydrophobicContact CB-CE1 4.31Å; P131-F195 HydrophobicContact CG-CD1 3.15Å; P131-F195 HydrophobicContact CG-CD2 4.4Å; P131-F195 HydrophobicContact CG-CE1 2.94Å; P131-F195 HydrophobicContact CG-CE2 4.21Å; P131-F195 HydrophobicContact CG-CG 3.89Å; P131-F195 HydrophobicContact CG-CZ 3.5Å; S170-F195 WeakPolarHBondContact OG-CE2 3.39Å; T193-F195 VanDerWaalsContact C-N 3.33Å; T193-F195 PolarHBondContact O-N 2.72Å; F195-R199 WeakPolarHBondContact O-CD 3.45Å; F195-R199 WeakPolarHBondContact O-CG 3.21Å; F195-R199 PolarHBondContact O-NE 3.12Å
196	E	52.1	Low	56.7	Low	81 Å²	81	79.5 Å²	79.5	38%	0.379	38%	0.384	S	S	.	.	S	Bend	trans	-68.1	-39.4	179.7	-68.6	-120.8	120.8	0	0	114	T193 W198 R199 K359	T193-E196 HydrophobicContact CG2-CG 4.03Å; E196-W198 VanDerWaalsContact C-N 3.32Å; E196-W198 PolarHBondContact O-N 2.81Å; E196-R199 IonicContact OE1-NH1 3.94Å; E196-K359 IonicContact OE1-NZ 2.82Å; E196-K359 PolarHBondContact OE1-NZ 3.39Å
197	Q	54.5	Low	57.5	Low	161 Å²	161	75.9 Å²	75.9	75%	0.752	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-27.8	-173.5	-69.3	179.1	-9.4	0	0	114.1
198	W	63.5	Low	58.1	Low	123 Å²	123	72.8 Å²	72.8	47%	0.466	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	7.8	-169.4	-46.4	121	0	0	0	113.9	P131 E196	P131-W198 HydrophobicContact CG-CG 4.49Å; E196-W198 VanDerWaalsContact C-N 3.32Å; E196-W198 PolarHBondContact O-N 2.81Å
199	R	71	Confident	58.8	Low	26 Å²	26	79.9 Å²	79.9	10%	0.098	39%	0.385	C	S	.	.	S	Bend	trans	-76.2	129.6	172.4	-80.2	161.1	-161.5	-176	2.4	109.6	F195 E196 N201 Y247 H357 K359	F195-R199 WeakPolarHBondContact O-CD 3.45Å; F195-R199 WeakPolarHBondContact O-CG 3.21Å; F195-R199 PolarHBondContact O-NE 3.12Å; E196-R199 IonicContact OE1-NH1 3.94Å; R199-N201 PolarHBondContact O-N 2.9Å; R199-Y247 VanDerWaalsContact CZ-CE2 3.46Å; R199-Y247 PolarHBondContact NH1-OH 2.73Å; R199-Y247 VanDerWaalsContact NH2-CE2 3.26Å; R199-Y247 PolarHBondContact NH2-OH 2.75Å; R199-H357 WeakPolarHBondContact CA-O 3.47Å; R199-H357 HydrophobicContact CG-CB 3.79Å; R199-K359 HydrophobicContact CB-CB 4.05Å; R199-K359 HydrophobicContact CG-CB 4.46Å
200	F	77.1	Confident	59.7	Low	107 Å²	107	80.6 Å²	80.6	47%	0.469	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	109.5	165.1	-69.7	-82	0	0	0	108.9	V202 F215 V356 H357 V358 K359	F200-V202 HydrophobicContact CB-CG2 4.47Å; F200-V202 PolarHBondContact O-N 3.14Å; F200-F215 HydrophobicContact CB-CD2 4.17Å; F200-F215 HydrophobicContact CB-CE2 3.57Å; F200-F215 HydrophobicContact CB-CZ 3.92Å; F200-F215 HydrophobicContact CD1-CD2 4.41Å; F200-F215 AromaticContact CD1-CE2 3.42Å; F200-F215 HydrophobicContact CD1-CE2 3.42Å; F200-F215 VanDerWaalsContact CD1-CE2 3.42Å; F200-F215 HydrophobicContact CD1-CZ 4.03Å; F200-F215 AromaticContact CD2-CE2 3.85Å; F200-F215 HydrophobicContact CD2-CE2 3.85Å; F200-F215 AromaticContact CD2-CZ 3.58Å; F200-F215 HydrophobicContact CD2-CZ 3.58Å; F200-F215 HydrophobicContact CE1-CE2 4Å; F200-F215 HydrophobicContact CE1-CZ 4.44Å; F200-F215 HydrophobicContact CE2-CE2 4.39Å; F200-F215 HydrophobicContact CE2-CZ 4.05Å; F200-F215 HydrophobicContact CG-CD2 4.33Å; F200-F215 AromaticContact CG-CE2 3.32Å; F200-F215 HydrophobicContact CG-CE2 3.32Å; F200-F215 AromaticContact CG-CZ 3.56Å; F200-F215 HydrophobicContact CG-CZ 3.56Å; F200-F215 HydrophobicContact CZ-CE2 4.45Å; F200-F215 HydrophobicContact CZ-CZ 4.44Å; F200-V356 HydrophobicContact CD2-CG1 3.56Å; F200-V356 HydrophobicContact CE2-CG1 3.7Å; F200-H357 PolarHBondContact N-O 3.2Å; F200-V358 HydrophobicContact CB-CG2 4.47Å; F200-V358 WeakPolarHBondContact O-CA 3.27Å; F200-K359 PolarHBondContact O-N 3.05Å
201	N	78.4	Confident	60.8	Low	77 Å²	77	76.1 Å²	76.1	41%	0.412	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	108.4	173.1	-69.9	-33.8	0	0	0	108.8	R199 Y203 K359 I361	R199-N201 PolarHBondContact O-N 2.9Å; N201-Y203 HydrophobicContact CB-CE2 4.32Å; N201-K359 WeakPolarHBondContact CA-O 3.49Å; N201-I361 HydrophobicContact CB-CD1 3.98Å
202	V	75.3	Confident	62	Low	8 Å²	8	77.1 Å²	77.1	5%	0.048	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	113	-179.1	179.6	0	0	0	0	108.8	F200 L214 F215 V358 K359 I360 I361	F200-V202 HydrophobicContact CB-CG2 4.47Å; F200-V202 PolarHBondContact O-N 3.14Å; V202-L214 HydrophobicContact CG1-CB 3.62Å; V202-L214 HydrophobicContact CG1-CD1 4.39Å; V202-F215 HydrophobicContact CG1-CB 4.21Å; V202-F215 HydrophobicContact CG2-CB 3.65Å; V202-F215 HydrophobicContact CG2-CD2 3.89Å; V202-F215 HydrophobicContact CG2-CG 3.83Å; V202-V358 HydrophobicContact CB-CG1 4.06Å; V202-V358 HydrophobicContact CG2-CG1 3.55Å; V202-K359 PolarHBondContact N-O 3.45Å; V202-I360 WeakPolarHBondContact O-CA 3.29Å; V202-I361 PolarHBondContact O-N 3.05Å
203	Y	74.1	Confident	63.3	Low	117 Å²	117	74.5 Å²	74.5	46%	0.459	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	120.5	-178.3	-59.9	-82.4	0	0	0	110.8	N201 I361 T366	N201-Y203 HydrophobicContact CB-CE2 4.32Å; Y203-I361 WeakPolarHBondContact CA-O 3.47Å; Y203-I361 HydrophobicContact CD1-CB 3.86Å; Y203-I361 HydrophobicContact CD1-CD1 4.38Å; Y203-I361 HydrophobicContact CD1-CG2 4.01Å; Y203-I361 HydrophobicContact CE1-CB 4.04Å; Y203-I361 HydrophobicContact CE1-CD1 3.73Å; Y203-I361 HydrophobicContact CE1-CG1 4.46Å; Y203-I361 HydrophobicContact CE1-CG2 4.05Å; Y203-T366 HydrophobicContact CD1-CG2 3.89Å; Y203-T366 HydrophobicContact CE1-CG2 3.93Å
204	Y	69.5	Low	64.4	Low	57 Å²	57	75.8 Å²	75.8	22%	0.224	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	119.7	177.8	-152.2	-85.2	0	0	0	110.3	T206 L214 S319 I321 I360 I361 R363	Y204-T206 PolarHBondContact O-N 2.81Å; Y204-L214 HydrophobicContact CD2-CD1 3.63Å; Y204-L214 HydrophobicContact CE2-CD1 3.89Å; Y204-L214 HydrophobicContact CG-CD1 4.33Å; Y204-S319 VanDerWaalsContact CZ-O 3.3Å; Y204-S319 VanDerWaalsContact OH-C 3.23Å; Y204-S319 PolarHBondContact OH-O 3.46Å; Y204-I321 PolarHBondContact OH-O 3.48Å; Y204-I360 HydrophobicContact CD2-CG2 4.44Å; Y204-I361 PolarHBondContact N-O 3.3Å; Y204-R363 WeakPolarHBondContact O-CB 3.01Å; Y204-R363 PolarHBondContact O-N 2.75Å; Y204-R363 VanDerWaalsContact O-N 3.16Å
205	P	66.5	Low	65.7	Low	28 Å²	28	76 Å²	76	18%	0.182	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-64.1	135.8	-178.2	25.8	-33.1	0	0	0	110.9	D207 L214	P205-D207 VanDerWaalsContact C-N 3.29Å; P205-L214 HydrophobicContact CG-CD2 4.12Å
206	T	59.7	Low	67.1	Low	79 Å²	79	79.5 Å²	79.5	49%	0.485	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-32.6	172	39.5	0	0	0	0	112.2	Y204 G208 R363 K364	Y204-T206 PolarHBondContact O-N 2.81Å; T206-G208 PolarHBondContact O-N 2.87Å; T206-R363 HydrophobicContact CG2-CB 4.29Å; T206-K364 HydrophobicContact CG2-CB 4.4Å
207	D	59.8	Low	68.3	Low	123 Å²	123	75.9 Å²	75.9	66%	0.658	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	15.8	-162.1	-52.7	-13.4	0	0	0	113.8	P205 R209	P205-D207 VanDerWaalsContact C-N 3.29Å; D207-R209 PolarHBondContact O-N 3.32Å
208	G	54.1	Low	69.4	Low	54 Å²	54	70.7 Å²	70.7	56%	0.557	36%	0.362	S	S	*	.			trans	58	22.4	174.1	0	0	0	0	0	114.6	T206 V210	T206-G208 PolarHBondContact O-N 2.87Å; G208-V210 WeakPolarHBondContact O-CG2 3.44Å; G208-V210 PolarHBondContact O-N 3.12Å
209	R	56.1	Low	70.2	Confident	177 Å²	177	65.2 Å²	65.2	67%	0.668	34%	0.342	S	S	*	.			trans	-58.1	99.8	172.7	-74.9	-169.7	-173.5	-172.9	2.6	108.5	D207 V212 S319	D207-R209 PolarHBondContact O-N 3.32Å; R209-V212 HydrophobicContact CB-CG2 4.17Å; R209-S319 WeakPolarHBondContact O-CB 3.42Å; R209-S319 PolarHBondContact O-OG 3.45Å
210	V	62.3	Low	70.5	Confident	106 Å²	106	65.3 Å²	65.3	64%	0.642	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	134.5	-174.6	-165.8	0	0	0	0	108.9	G208	G208-V210 WeakPolarHBondContact O-CG2 3.44Å; G208-V210 PolarHBondContact O-N 3.12Å
211	N	65.3	Low	70.6	Confident	85 Å²	85	60.2 Å²	60.2	46%	0.455	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.7	35.4	173.6	-58.9	-28.1	0	0	0	117.2	S319 S320	N211-S319 PolarHBondContact N-OG 2.86Å; N211-S320 PolarHBondContact OD1-OG 3.2Å
212	V	71.2	Confident	70.5	Confident	69 Å²	69	59.6 Å²	59.6	42%	0.418	32%	0.319	S	S	.	.			trans	-92.4	133.7	164.1	-177.7	0	0	0	0	108.8	R209 L214 N318 S319	R209-V212 HydrophobicContact CB-CG2 4.17Å; V212-L214 PolarHBondContact O-N 3.09Å; V212-N318 WeakPolarHBondContact O-CA 3.24Å; V212-S319 PolarHBondContact N-OG 3.45Å; V212-S319 PolarHBondContact O-N 3.31Å; V212-S319 PolarHBondContact O-OG 3.25Å
213	T	72.6	Confident	70.8	Confident	41 Å²	41	59.2 Å²	59.2	25%	0.252	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	110.1	169.1	-55	0	0	0	0	108.3	F215 H216 A316 L317 N318	T213-F215 WeakPolarHBondContact CG2-O 3.49Å; T213-H216 HydrophobicContact CG2-CB 4.21Å; T213-A316 HydrophobicContact CG2-CB 4.29Å; T213-L317 CarbonylContact C-O 3.28Å; T213-N318 PolarHBondContact OG1-OD1 3.39Å
214	L	71.6	Confident	71.2	Confident	45 Å²	45	53.8 Å²	53.8	24%	0.236	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	-31.4	180	-61.4	179	0	0	0	111.9	V202 Y204 P205 V212 L317	V202-L214 HydrophobicContact CG1-CB 3.62Å; V202-L214 HydrophobicContact CG1-CD1 4.39Å; Y204-L214 HydrophobicContact CD2-CD1 3.63Å; Y204-L214 HydrophobicContact CE2-CD1 3.89Å; Y204-L214 HydrophobicContact CG-CD1 4.33Å; P205-L214 HydrophobicContact CG-CD2 4.12Å; V212-L214 PolarHBondContact O-N 3.09Å; L214-L317 WeakPolarHBondContact CB-O 3.2Å; L214-L317 PolarHBondContact N-O 2.92Å
215	F	75.7	Confident	71.4	Confident	19 Å²	19	51.5 Å²	51.5	8%	0.083	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	139.5	-177.4	-179.2	-112.3	0	0	0	109.4	F200 V202 T213 A217 L315 A316 L317 V356 V358	F200-F215 HydrophobicContact CB-CD2 4.17Å; F200-F215 HydrophobicContact CB-CE2 3.57Å; F200-F215 HydrophobicContact CB-CZ 3.92Å; F200-F215 HydrophobicContact CD1-CD2 4.41Å; F200-F215 AromaticContact CD1-CE2 3.42Å; F200-F215 HydrophobicContact CD1-CE2 3.42Å; F200-F215 VanDerWaalsContact CD1-CE2 3.42Å; F200-F215 HydrophobicContact CD1-CZ 4.03Å; F200-F215 AromaticContact CD2-CE2 3.85Å; F200-F215 HydrophobicContact CD2-CE2 3.85Å; F200-F215 AromaticContact CD2-CZ 3.58Å; F200-F215 HydrophobicContact CD2-CZ 3.58Å; F200-F215 HydrophobicContact CE1-CE2 4Å; F200-F215 HydrophobicContact CE1-CZ 4.44Å; F200-F215 HydrophobicContact CE2-CE2 4.39Å; F200-F215 HydrophobicContact CE2-CZ 4.05Å; F200-F215 HydrophobicContact CG-CD2 4.33Å; F200-F215 AromaticContact CG-CE2 3.32Å; F200-F215 HydrophobicContact CG-CE2 3.32Å; F200-F215 AromaticContact CG-CZ 3.56Å; F200-F215 HydrophobicContact CG-CZ 3.56Å; F200-F215 HydrophobicContact CZ-CE2 4.45Å; F200-F215 HydrophobicContact CZ-CZ 4.44Å; V202-F215 HydrophobicContact CG1-CB 4.21Å; V202-F215 HydrophobicContact CG2-CB 3.65Å; V202-F215 HydrophobicContact CG2-CD2 3.89Å; V202-F215 HydrophobicContact CG2-CG 3.83Å; T213-F215 WeakPolarHBondContact CG2-O 3.49Å; F215-A217 HydrophobicContact CE1-CB 3.75Å; F215-A217 HydrophobicContact CZ-CB 3.81Å; F215-L315 HydrophobicContact CD1-CD2 4.22Å; F215-L315 HydrophobicContact CE1-CD2 3.97Å; F215-A316 WeakPolarHBondContact O-CA 3.39Å; F215-L317 HydrophobicContact CB-CB 4.04Å; F215-L317 HydrophobicContact CB-CD1 3.86Å; F215-L317 HydrophobicContact CB-CG 3.96Å; F215-L317 HydrophobicContact CD1-CD1 3.67Å; F215-L317 HydrophobicContact CD1-CG 3.92Å; F215-L317 HydrophobicContact CG-CD1 4.13Å; F215-L317 HydrophobicContact CG-CG 4.43Å; F215-L317 PolarHBondContact N-O 3.46Å; F215-L317 PolarHBondContact O-N 3.43Å; F215-V356 HydrophobicContact CE1-CG1 3.8Å; F215-V356 HydrophobicContact CZ-CG1 3.65Å; F215-V358 HydrophobicContact CD1-CG2 3.94Å; F215-V358 HydrophobicContact CE1-CG2 3.62Å; F215-V358 HydrophobicContact CZ-CG2 4.18Å
216	H	78.9	Confident	71.8	Confident	87 Å²	87	50.8 Å²	50.8	40%	0.403	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	138.7	166.9	67.1	94.2	0	0	0	112.4	T213 W314 L315	T213-H216 HydrophobicContact CG2-CB 4.21Å; H216-W314 HydrophobicContact CB-CE3 4.25Å; H216-W314 AromaticContact ND1-CE3 3.5Å; H216-W314 AromaticContact ND1-CZ3 3.37Å; H216-W314 WeakPolarHBondContact ND1-CZ3 3.38Å; H216-L315 CarbonylContact C-O 3.46Å; H216-L315 WeakPolarHBondContact CA-O 3.16Å
217	A	77.5	Confident	72.5	Confident	5 Å²	5	47 Å²	47	4%	0.041	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	135.8	175.5	0	0	0	0	0	110.6	F215 W314 L315 V356	F215-A217 HydrophobicContact CE1-CB 3.75Å; F215-A217 HydrophobicContact CZ-CB 3.81Å; A217-W314 CarbonylContact O-C 3.56Å; A217-W314 WeakPolarHBondContact O-CA 3.41Å; A217-L315 HydrophobicContact CB-CB 4.38Å; A217-L315 PolarHBondContact N-O 2.99Å; A217-L315 PolarHBondContact O-N 3.47Å; A217-V356 HydrophobicContact CB-CG1 4.37Å; A217-V356 HydrophobicContact CB-CG2 4.13Å
218	P	77.9	Confident	73.1	Confident	52 Å²	52	41.8 Å²	41.8	34%	0.338	23%	0.231	S	C	.	.			trans	-75.5	149.4	175.4	31.8	-32.3	0	0	0	110.7	W314 N354	P218-W314 HydrophobicContact CB-CE3 4.1Å; P218-W314 HydrophobicContact CB-CH2 3.98Å; P218-W314 HydrophobicContact CB-CZ2 4.38Å; P218-W314 HydrophobicContact CB-CZ3 3.82Å; P218-W314 HydrophobicContact CG-CH2 4.34Å; P218-W314 HydrophobicContact CG-CZ3 4.05Å; P218-N354 PolarHBondContact O-ND2 3.26Å
219	C	78.7	Confident	73.8	Confident	7 Å²	7	39.8 Å²	39.8	5%	0.047	21%	0.208	C	C	.	.			trans	-85.1	113.8	163.3	178.8	0	0	0	0	108.9	A221 I240 W242 C330 T353	C219-A221 PolarHBondContact O-N 3.45Å; C219-I240 HydrophobicContact CB-CG2 4.04Å; C219-I240 VanDerWaalsContact SG-CG2 3.51Å; C219-W242 HydrophobicContact CB-CZ2 3.85Å; C219-C330 HydrophobicContact CB-CB 3.83Å; C219-C330 WeakPolarHBondContact CB-SG 3.3Å; C219-C330 WeakPolarHBondContact SG-CB 3.36Å; C219-C330 CovalentContact SG-SG 2Å; C219-C330 PolarHBondContact SG-SG 2.82Å; C219-T353 PolarHBondContact SG-OG1 2.7Å
220	N	78.8	Confident	74.4	Confident	28 Å²	28	31.5 Å²	31.5	15%	0.15	18%	0.177	C	C	.	.			trans	-79.6	61	-176.6	-67.6	-21.9	0	0	0	111.8	N85 N354	N85-N220 HydrophobicContact CB-CB 3.62Å; N85-N220 PolarHBondContact ND2-ND2 2.88Å; N220-N354 PolarHBondContact ND2-ND2 3.4Å
221	A	77.8	Confident	74.6	Confident	1 Å²	1	29.6 Å²	29.6	1%	0.008	16%	0.163	C	C	.	.			trans	-85.2	-20	-178.5	0	0	0	0	0	113	C219 I223 F224 L225 I240 I332	C219-A221 PolarHBondContact O-N 3.45Å; A221-I223 VanDerWaalsContact C-N 3.32Å; A221-I223 PolarHBondContact O-N 3.05Å; A221-F224 PolarHBondContact O-N 2.84Å; A221-L225 HydrophobicContact CB-CD1 3.83Å; A221-L225 HydrophobicContact CB-CD2 3.88Å; A221-L225 HydrophobicContact CB-CG 3.8Å; A221-L225 VanDerWaalsContact O-CG 3.31Å; A221-L225 WeakPolarHBondContact O-CG 3.31Å; A221-L225 PolarHBondContact O-N 3.49Å; A221-I240 HydrophobicContact CB-CD1 4Å; A221-I332 HydrophobicContact CB-CD1 3.68Å; A221-I332 HydrophobicContact CB-CG1 4.31Å
222	D	77.3	Confident	74.5	Confident	64 Å²	64	30.1 Å²	30.1	34%	0.342	17%	0.166	S	C	.	.	H	α-helix	trans	-44.7	-47.6	-163.9	-66.5	-5.1	0	0	0	115	T226	D222-T226 VanDerWaalsContact O-CB 3.29Å; D222-T226 WeakPolarHBondContact O-CB 3.16Å; D222-T226 PolarHBondContact O-N 3.45Å; D222-T226 PolarHBondContact O-OG1 3.19Å
223	I	82.2	Confident	74.2	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.4	-51.7	-179.6	-67.9	175.1	0	0	0	110.8	I83 N85 W87 I136 A138 I163 A221 L225 T226 A227	I83-I223 HydrophobicContact CB-CD1 4.28Å; I83-I223 HydrophobicContact CG2-CD1 3.69Å; I83-I223 HydrophobicContact CG2-CG1 4.44Å; N85-I223 VanDerWaalsContact C-CD1 3.42Å; N85-I223 WeakPolarHBondContact O-CG1 3.33Å; W87-I223 HydrophobicContact CD2-CG1 4.48Å; W87-I223 HydrophobicContact CZ2-CG2 4.48Å; I136-I223 HydrophobicContact CG2-CB 3.94Å; I136-I223 HydrophobicContact CG2-CG2 3.65Å; A138-I223 HydrophobicContact CB-CG2 3.55Å; I163-I223 HydrophobicContact CD1-CG2 4.2Å; A221-I223 VanDerWaalsContact C-N 3.32Å; A221-I223 PolarHBondContact O-N 3.05Å; I223-L225 PolarHBondContact O-N 3.4Å; I223-T226 PolarHBondContact O-N 3.01Å; I223-A227 WeakPolarHBondContact O-CB 3.23Å; I223-A227 PolarHBondContact O-N 2.97Å
224	F	81	Confident	73.8	Confident	2 Å²	2	31 Å²	31	1%	0.009	17%	0.168	C	C	.	.	H	α-helix	trans	-63.2	-42.7	-179.3	176.5	-100.6	0	0	0	111.6	P38 I136 M165 A221 T226 A227 L228 W238 I332 W351	P38-F224 HydrophobicContact CG-CD2 4.27Å; P38-F224 HydrophobicContact CG-CE2 3.78Å; I136-F224 HydrophobicContact CD1-CB 3.56Å; M165-F224 HydrophobicContact CE-CB 4.46Å; M165-F224 HydrophobicContact CE-CD2 3.21Å; M165-F224 HydrophobicContact CE-CE2 3.45Å; M165-F224 VanDerWaalsContact CE-CE2 3.45Å; M165-F224 HydrophobicContact CE-CG 3.92Å; M165-F224 HydrophobicContact CE-CZ 4.29Å; A221-F224 PolarHBondContact O-N 2.84Å; F224-T226 PolarHBondContact O-N 3.11Å; F224-A227 WeakPolarHBondContact O-CB 3.38Å; F224-A227 PolarHBondContact O-N 2.93Å; F224-L228 HydrophobicContact CD1-CD1 3.83Å; F224-L228 HydrophobicContact CD1-CG 4.29Å; F224-L228 HydrophobicContact CE1-CD1 3.33Å; F224-L228 HydrophobicContact CE1-CD2 4.48Å; F224-L228 HydrophobicContact CE1-CG 3.96Å; F224-L228 HydrophobicContact CE2-CG 4.49Å; F224-L228 HydrophobicContact CZ-CD1 3.82Å; F224-L228 HydrophobicContact CZ-CD2 4.14Å; F224-L228 HydrophobicContact CZ-CG 4.07Å; F224-L228 WeakPolarHBondContact O-CG 3.11Å; F224-L228 PolarHBondContact O-N 2.75Å; F224-W238 HydrophobicContact CZ-CH2 4.5Å; F224-I332 HydrophobicContact CB-CD1 4.48Å; F224-I332 HydrophobicContact CD1-CD1 3.38Å; F224-I332 HydrophobicContact CD1-CG2 4.47Å; F224-I332 HydrophobicContact CE1-CB 4.44Å; F224-I332 HydrophobicContact CE1-CD1 3.91Å; F224-I332 HydrophobicContact CE1-CG2 4.01Å; F224-I332 HydrophobicContact CG-CD1 4.25Å; F224-W351 HydrophobicContact CE2-CD2 4.28Å; F224-W351 HydrophobicContact CE2-CE3 4.21Å; F224-W351 HydrophobicContact CE2-CZ3 4.37Å; F224-W351 HydrophobicContact CZ-CD2 4.05Å; F224-W351 HydrophobicContact CZ-CE3 4.44Å; F224-W351 HydrophobicContact CZ-CG 4.13Å
225	L	75.5	Confident	73.3	Confident	10 Å²	10	30 Å²	30	5%	0.052	17%	0.165	C	C	.	.	H	α-helix	trans	-60.3	-47.6	177.3	-57.5	-168.3	0	0	0	111.9	A221 I223 A227 L228 T229 I240 W310 I332	A221-L225 HydrophobicContact CB-CD1 3.83Å; A221-L225 HydrophobicContact CB-CD2 3.88Å; A221-L225 HydrophobicContact CB-CG 3.8Å; A221-L225 VanDerWaalsContact O-CG 3.31Å; A221-L225 WeakPolarHBondContact O-CG 3.31Å; A221-L225 PolarHBondContact O-N 3.49Å; I223-L225 PolarHBondContact O-N 3.4Å; L225-A227 PolarHBondContact O-N 3.48Å; L225-L228 PolarHBondContact O-N 3.49Å; L225-T229 WeakPolarHBondContact O-CG2 3.43Å; L225-T229 PolarHBondContact O-N 2.94Å; L225-I240 HydrophobicContact CD1-CD1 4.03Å; L225-W310 VanDerWaalsContact CA-CH2 3.48Å; L225-W310 HydrophobicContact CB-CE3 4.07Å; L225-W310 HydrophobicContact CB-CH2 3.23Å; L225-W310 HydrophobicContact CB-CZ2 3.75Å; L225-W310 HydrophobicContact CB-CZ3 3.49Å; L225-W310 VanDerWaalsContact CB-CZ3 3.49Å; L225-W310 HydrophobicContact CD1-CB 4.46Å; L225-W310 HydrophobicContact CD1-CD2 3.69Å; L225-W310 HydrophobicContact CD1-CE3 3.22Å; L225-W310 HydrophobicContact CD1-CG 4.4Å; L225-W310 HydrophobicContact CD1-CH2 4.04Å; L225-W310 HydrophobicContact CD1-CZ2 4.32Å; L225-W310 HydrophobicContact CD1-CZ3 3.56Å; L225-W310 HydrophobicContact CD2-CE3 3.4Å; L225-W310 VanDerWaalsContact CD2-CE3 3.4Å; L225-W310 HydrophobicContact CD2-CH2 3.68Å; L225-W310 HydrophobicContact CD2-CZ3 2.94Å; L225-W310 HydrophobicContact CG-CD2 4.37Å; L225-W310 HydrophobicContact CG-CE3 3.59Å; L225-W310 HydrophobicContact CG-CH2 3.68Å; L225-W310 HydrophobicContact CG-CZ2 4.34Å; L225-W310 HydrophobicContact CG-CZ3 3.32Å; L225-I332 HydrophobicContact CD2-CD1 3.58Å
226	T	73.8	Confident	72.7	Confident	12 Å²	12	31.7 Å²	31.7	7%	0.074	18%	0.177	C	C	.	.	H	α-helix	trans	-58.1	-43.2	178.3	-58.6	0	0	0	0	110	W87 L155 D222 I223 F224 T229 M230 L299	W87-T226 HydrophobicContact CZ2-CG2 3.74Å; W87-T226 PolarHBondContact NE1-OG1 2.98Å; L155-T226 HydrophobicContact CD1-CG2 4.42Å; D222-T226 VanDerWaalsContact O-CB 3.29Å; D222-T226 WeakPolarHBondContact O-CB 3.16Å; D222-T226 PolarHBondContact O-N 3.45Å; D222-T226 PolarHBondContact O-OG1 3.19Å; I223-T226 PolarHBondContact O-N 3.01Å; F224-T226 PolarHBondContact O-N 3.11Å; T226-T229 PolarHBondContact O-N 2.81Å; T226-T229 PolarHBondContact O-OG1 2.97Å; T226-M230 HydrophobicContact CG2-CE 3.77Å; T226-M230 HydrophobicContact CG2-SD 4.4Å; T226-M230 WeakPolarHBondContact O-CG 3.44Å; T226-M230 PolarHBondContact O-N 2.88Å; T226-L299 HydrophobicContact CG2-CD2 3.72Å
227	A	74.5	Confident	72.1	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-66.3	-39.6	179	0	0	0	0	0	114.1	W35 L160 I163 I223 F224 L225 T229 M230 N231	W35-A227 HydrophobicContact CD2-CB 4.39Å; W35-A227 HydrophobicContact CZ2-CB 3.93Å; W35-A227 PolarHBondContact NE1-O 2.91Å; L160-A227 HydrophobicContact CD2-CB 3.41Å; L160-A227 VanDerWaalsContact CD2-CB 3.41Å; I163-A227 HydrophobicContact CD1-CB 3.1Å; I163-A227 HydrophobicContact CG1-CB 4.47Å; I223-A227 WeakPolarHBondContact O-CB 3.23Å; I223-A227 PolarHBondContact O-N 2.97Å; F224-A227 WeakPolarHBondContact O-CB 3.38Å; F224-A227 PolarHBondContact O-N 2.93Å; L225-A227 PolarHBondContact O-N 3.48Å; A227-T229 VanDerWaalsContact C-N 3.32Å; A227-T229 PolarHBondContact O-N 3.25Å; A227-M230 WeakPolarHBondContact O-CB 3.27Å; A227-M230 PolarHBondContact O-N 2.76Å; A227-N231 PolarHBondContact O-N 3.35Å; A227-N231 VanDerWaalsContact O-N 3.07Å
228	L	72.3	Confident	71.9	Confident	13 Å²	13	30.7 Å²	30.7	7%	0.068	17%	0.169	C	C	.	.	H	α-helix	trans	-58.2	-46.8	171.5	-73.1	177.3	0	0	0	110.9	F224 L225 M230 N231 V233 W238	F224-L228 HydrophobicContact CD1-CD1 3.83Å; F224-L228 HydrophobicContact CD1-CG 4.29Å; F224-L228 HydrophobicContact CE1-CD1 3.33Å; F224-L228 HydrophobicContact CE1-CD2 4.48Å; F224-L228 HydrophobicContact CE1-CG 3.96Å; F224-L228 HydrophobicContact CE2-CG 4.49Å; F224-L228 HydrophobicContact CZ-CD1 3.82Å; F224-L228 HydrophobicContact CZ-CD2 4.14Å; F224-L228 HydrophobicContact CZ-CG 4.07Å; F224-L228 WeakPolarHBondContact O-CG 3.11Å; F224-L228 PolarHBondContact O-N 2.75Å; L225-L228 PolarHBondContact O-N 3.49Å; L228-M230 VanDerWaalsContact C-N 3.27Å; L228-M230 PolarHBondContact O-N 2.95Å; L228-N231 PolarHBondContact O-N 3.47Å; L228-N231 VanDerWaalsContact O-N 3.11Å; L228-V233 HydrophobicContact CB-CB 4.29Å; L228-V233 HydrophobicContact CD2-CB 4.35Å; L228-V233 HydrophobicContact CD2-CG1 4.33Å; L228-V233 HydrophobicContact CD2-CG2 4.4Å; L228-V233 WeakPolarHBondContact O-CB 3.34Å; L228-V233 PolarHBondContact O-N 2.81Å; L228-V233 VanDerWaalsContact O-N 3.07Å; L228-W238 HydrophobicContact CD1-CD2 3.87Å; L228-W238 HydrophobicContact CD1-CG 3.99Å; L228-W238 HydrophobicContact CD1-CZ2 4.11Å; L228-W238 HydrophobicContact CD2-CZ2 4.05Å
229	T	68.8	Low	71.6	Confident	13 Å²	13	30 Å²	30	8%	0.08	17%	0.166	C	C	.	.	H	α-helix	trans	-65.9	-30.3	178.3	67.9	0	0	0	0	112.9	L225 T226 A227 N231 N232 P235 R302 W310	L225-T229 WeakPolarHBondContact O-CG2 3.43Å; L225-T229 PolarHBondContact O-N 2.94Å; T226-T229 PolarHBondContact O-N 2.81Å; T226-T229 PolarHBondContact O-OG1 2.97Å; A227-T229 VanDerWaalsContact C-N 3.32Å; A227-T229 PolarHBondContact O-N 3.25Å; T229-N231 VanDerWaalsContact C-N 3.34Å; T229-N232 PolarHBondContact O-N 2.95Å; T229-P235 HydrophobicContact CG2-CB 4.05Å; T229-P235 HydrophobicContact CG2-CG 3.99Å; T229-R302 PolarHBondContact O-NH1 3.43Å; T229-W310 HydrophobicContact CG2-CH2 4.33Å; T229-W310 HydrophobicContact CG2-CZ2 3.82Å
230	M	67.9	Low	71.5	Confident	2 Å²	2	30.4 Å²	30.4	1%	0.01	17%	0.167	C	C	.	.	H	α-helix	trans	-67.4	-35.1	173.7	-73.8	177.3	175.4	0	0	111.5	L160 T226 A227 L228 N232 L299	L160-M230 HydrophobicContact CB-SD 4.16Å; L160-M230 HydrophobicContact CD2-SD 4.32Å; T226-M230 HydrophobicContact CG2-CE 3.77Å; T226-M230 HydrophobicContact CG2-SD 4.4Å; T226-M230 WeakPolarHBondContact O-CG 3.44Å; T226-M230 PolarHBondContact O-N 2.88Å; A227-M230 WeakPolarHBondContact O-CB 3.27Å; A227-M230 PolarHBondContact O-N 2.76Å; L228-M230 VanDerWaalsContact C-N 3.27Å; L228-M230 PolarHBondContact O-N 2.95Å; M230-N232 PolarHBondContact O-N 3.24Å; M230-L299 HydrophobicContact CE-CD1 3.8Å; M230-L299 HydrophobicContact CE-CD2 3.98Å
231	N	67	Low	71.4	Confident	67 Å²	67	29.4 Å²	29.4	36%	0.358	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	13.3	175.4	-81.9	-3.6	0	0	0	114.5	W35 A227 L228 T229 V233	W35-N231 VanDerWaalsContact CZ2-ND2 3.27Å; W35-N231 WeakPolarHBondContact CZ2-ND2 3.48Å; W35-N231 PolarHBondContact NE1-ND2 3.41Å; W35-N231 PolarHBondContact NE1-OD1 3.2Å; A227-N231 PolarHBondContact O-N 3.35Å; A227-N231 VanDerWaalsContact O-N 3.07Å; L228-N231 PolarHBondContact O-N 3.47Å; L228-N231 VanDerWaalsContact O-N 3.11Å; T229-N231 VanDerWaalsContact C-N 3.34Å; N231-V233 HydrophobicContact CB-CG2 4.13Å; N231-V233 PolarHBondContact O-N 3.03Å; N231-V233 VanDerWaalsContact O-N 3.1Å
232	N	63.4	Low	71.5	Confident	95 Å²	95	29.4 Å²	29.4	51%	0.508	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	21.3	-172.5	-55.2	-44.2	0	0	0	113.9	T229 M230 D234	T229-N232 PolarHBondContact O-N 2.95Å; M230-N232 PolarHBondContact O-N 3.24Å; N232-D234 PolarHBondContact O-N 3.48Å
233	V	66.2	Low	71.6	Confident	52 Å²	52	28.2 Å²	28.2	32%	0.315	16%	0.155	S	C	.	.			trans	-76.7	124.7	170.2	179.7	0	0	0	0	107	L228 N231 P235	L228-V233 HydrophobicContact CB-CB 4.29Å; L228-V233 HydrophobicContact CD2-CB 4.35Å; L228-V233 HydrophobicContact CD2-CG1 4.33Å; L228-V233 HydrophobicContact CD2-CG2 4.4Å; L228-V233 WeakPolarHBondContact O-CB 3.34Å; L228-V233 PolarHBondContact O-N 2.81Å; L228-V233 VanDerWaalsContact O-N 3.07Å; N231-V233 HydrophobicContact CB-CG2 4.13Å; N231-V233 PolarHBondContact O-N 3.03Å; N231-V233 VanDerWaalsContact O-N 3.1Å; V233-P235 VanDerWaalsContact O-CD 3.23Å; V233-P235 WeakPolarHBondContact O-CD 3.32Å; V233-P235 VanDerWaalsContact O-N 3.14Å
234	D	63.6	Low	71.5	Confident	76 Å²	76	30.3 Å²	30.3	41%	0.406	17%	0.165	S	C	.	.			trans	-65.1	117.8	174.9	-175.2	-21.7	0	0	0	108.2	N232 T236 F237	N232-D234 PolarHBondContact O-N 3.48Å; D234-T236 PolarHBondContact O-N 3.21Å; D234-T236 WeakPolarHBondContact OD1-CB 3.37Å; D234-T236 WeakPolarHBondContact OD1-CG2 3.19Å; D234-T236 PolarHBondContact OD1-N 3.34Å; D234-T236 PolarHBondContact OD1-OG1 3.48Å; D234-T236 PolarHBondContact OD2-OG1 3.35Å; D234-F237 HydrophobicContact CB-CD2 3.7Å; D234-F237 HydrophobicContact CB-CE2 3.71Å; D234-F237 PolarHBondContact O-N 3.07Å
235	P	61.4	Low	71.3	Confident	25 Å²	25	30.9 Å²	30.9	16%	0.162	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-68.4	-19.3	-177	28.9	-38.7	0	0	0	115.3	T229 V233 F237 W238 W310	T229-P235 HydrophobicContact CG2-CB 4.05Å; T229-P235 HydrophobicContact CG2-CG 3.99Å; V233-P235 VanDerWaalsContact O-CD 3.23Å; V233-P235 WeakPolarHBondContact O-CD 3.32Å; V233-P235 VanDerWaalsContact O-N 3.14Å; P235-F237 PolarHBondContact O-N 2.67Å; P235-W238 WeakPolarHBondContact O-CB 3.43Å; P235-W238 PolarHBondContact O-N 3.23Å; P235-W310 HydrophobicContact CB-CD2 4.11Å; P235-W310 HydrophobicContact CB-CE3 4.43Å; P235-W310 HydrophobicContact CB-CH2 3.19Å; P235-W310 HydrophobicContact CB-CZ2 2.84Å; P235-W310 HydrophobicContact CB-CZ3 3.93Å; P235-W310 VanDerWaalsContact CB-NE1 3.3Å; P235-W310 HydrophobicContact CG-CH2 4.46Å; P235-W310 HydrophobicContact CG-CZ2 3.76Å
236	T	63.2	Low	71.1	Confident	55 Å²	55	32 Å²	32	34%	0.337	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-66.1	-18.3	-178.4	61.5	0	0	0	0	112.9	D234 W238 Y309	D234-T236 PolarHBondContact O-N 3.21Å; D234-T236 WeakPolarHBondContact OD1-CB 3.37Å; D234-T236 WeakPolarHBondContact OD1-CG2 3.19Å; D234-T236 PolarHBondContact OD1-N 3.34Å; D234-T236 PolarHBondContact OD1-OG1 3.48Å; D234-T236 PolarHBondContact OD2-OG1 3.35Å; T236-W238 PolarHBondContact O-N 3.06Å; T236-Y309 HydrophobicContact CG2-CD1 4.1Å; T236-Y309 HydrophobicContact CG2-CG 4.22Å
237	F	66.2	Low	70.9	Confident	43 Å²	43	34.3 Å²	34.3	19%	0.189	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-76	7.1	170.6	-63.9	-66.8	0	0	0	113.7	D234 P235 R334 S335 T343	D234-F237 HydrophobicContact CB-CD2 3.7Å; D234-F237 HydrophobicContact CB-CE2 3.71Å; D234-F237 PolarHBondContact O-N 3.07Å; P235-F237 PolarHBondContact O-N 2.67Å; F237-R334 CarbonylContact O-C 3.6Å; F237-R334 VanDerWaalsContact O-CA 3.3Å; F237-R334 WeakPolarHBondContact O-CA 3.42Å; F237-R334 WeakPolarHBondContact O-CG 2.97Å; F237-S335 VanDerWaalsContact CA-OG 3.3Å; F237-S335 WeakPolarHBondContact CA-OG 3.43Å; F237-S335 PolarHBondContact O-N 2.89Å; F237-S335 PolarHBondContact O-OG 2.81Å; F237-S335 VanDerWaalsContact O-OG 3.05Å; F237-T343 HydrophobicContact CD1-CG2 3.73Å; F237-T343 HydrophobicContact CE1-CG2 3.62Å
238	W	72.4	Confident	70.3	Confident	27 Å²	27	35.8 Å²	35.8	10%	0.102	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	140.2	-179.9	-60.2	87.1	0	0	0	110.1	F224 L228 P235 T236 W310 I332 Q333 R334 W351	F224-W238 HydrophobicContact CZ-CH2 4.5Å; L228-W238 HydrophobicContact CD1-CD2 3.87Å; L228-W238 HydrophobicContact CD1-CG 3.99Å; L228-W238 HydrophobicContact CD1-CZ2 4.11Å; L228-W238 HydrophobicContact CD2-CZ2 4.05Å; P235-W238 WeakPolarHBondContact O-CB 3.43Å; P235-W238 PolarHBondContact O-N 3.23Å; T236-W238 PolarHBondContact O-N 3.06Å; W238-W310 HydrophobicContact CB-CZ3 4.34Å; W238-I332 HydrophobicContact CB-CG2 4.2Å; W238-I332 HydrophobicContact CD2-CG2 4.4Å; W238-I332 HydrophobicContact CE3-CG2 3.73Å; W238-I332 HydrophobicContact CZ3-CG2 4.47Å; W238-Q333 CarbonylContact C-O 3.58Å; W238-Q333 WeakPolarHBondContact CA-O 3.39Å; W238-R334 HydrophobicContact CD2-CB 4.35Å; W238-R334 HydrophobicContact CE3-CB 3.86Å; W238-R334 HydrophobicContact CE3-CG 4.5Å; W238-R334 HydrophobicContact CH2-CB 4.15Å; W238-R334 HydrophobicContact CZ3-CB 3.75Å; W238-W351 AromaticContact CH2-NE1 3.52Å; W238-W351 AromaticContact CZ3-CD1 3.6Å; W238-W351 AromaticContact CZ3-NE1 3.34Å; W238-W351 VanDerWaalsContact CZ3-NE1 3.34Å
239	S	72.5	Confident	70	Confident	37 Å²	37	41.2 Å²	41.2	26%	0.259	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	145.7	174.9	58.1	0	0	0	0	109.7	I332 Q333	S239-I332 CarbonylContact O-C 3.55Å; S239-I332 WeakPolarHBondContact O-CA 3.3Å; S239-Q333 PolarHBondContact N-O 2.85Å; S239-Q333 PolarHBondContact O-N 2.85Å; S239-Q333 WeakPolarHBondContact OG-CG 3.17Å; S239-Q333 PolarHBondContact OG-NE2 3.32Å; S239-Q333 PolarHBondContact OG-O 2.8Å
240	I	75.9	Confident	69.8	Low	17 Å²	17	46.8 Å²	46.8	9%	0.087	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	138.1	-178.8	-52.2	177.4	0	0	0	107.1	C219 A221 L225 W310 H313 C330 W331 I332	C219-I240 HydrophobicContact CB-CG2 4.04Å; C219-I240 VanDerWaalsContact SG-CG2 3.51Å; A221-I240 HydrophobicContact CB-CD1 4Å; L225-I240 HydrophobicContact CD1-CD1 4.03Å; I240-W310 HydrophobicContact CD1-CB 4.46Å; I240-H313 PolarHBondContact O-CE1 3.13Å; I240-H313 PolarHBondContact O-ND1 3.38Å; I240-C330 WeakPolarHBondContact CG2-SG 3.36Å; I240-W331 CarbonylContact C-O 3.58Å; I240-W331 WeakPolarHBondContact CA-O 3.33Å; I240-I332 HydrophobicContact CG1-CG1 4.32Å
241	G	75.9	Confident	69.8	Low	7 Å²	7	48.4 Å²	48.4	7%	0.072	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	156.3	179.4	0	0	0	0	0	112.1	W331	G241-W331 PolarHBondContact N-O 2.74Å; G241-W331 PolarHBondContact O-N 3.08Å
242	W	80.5	Confident	69.9	Low	1 Å²	1	51.7 Å²	51.7	0%	0.004	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	133.7	174.2	-69.3	89.6	0	0	0	110.7	C219 L269 H313 L315 W328 Q329 C330 V356	C219-W242 HydrophobicContact CB-CZ2 3.85Å; W242-L269 HydrophobicContact CB-CD1 3.74Å; W242-L269 HydrophobicContact CG-CD1 4.26Å; W242-H313 PolarHBondContact NE1-O 2.95Å; W242-L315 HydrophobicContact CB-CD1 4.41Å; W242-L315 HydrophobicContact CD2-CB 3.97Å; W242-L315 HydrophobicContact CD2-CD1 4.42Å; W242-L315 HydrophobicContact CE3-CB 4.45Å; W242-L315 HydrophobicContact CE3-CD2 4.45Å; W242-L315 HydrophobicContact CG-CB 4.35Å; W242-L315 HydrophobicContact CG-CD1 4.25Å; W242-L315 HydrophobicContact CH2-CB 4.41Å; W242-L315 HydrophobicContact CZ2-CB 3.94Å; W242-W328 HydrophobicContact CB-CE3 4.17Å; W242-W328 HydrophobicContact CE3-CB 3.8Å; W242-W328 HydrophobicContact CZ3-CB 4.04Å; W242-W328 WeakPolarHBondContact CZ3-O 3.33Å; W242-Q329 CarbonylContact C-O 3.55Å; W242-Q329 VanDerWaalsContact CA-O 3.26Å; W242-Q329 WeakPolarHBondContact CA-O 3.43Å; W242-C330 HydrophobicContact CD2-CB 4.07Å; W242-C330 HydrophobicContact CE3-CB 3.96Å; W242-C330 HydrophobicContact CH2-CB 3.83Å; W242-C330 HydrophobicContact CZ2-CB 3.92Å; W242-C330 HydrophobicContact CZ3-CB 3.84Å; W242-V356 HydrophobicContact CH2-CG2 4.02Å; W242-V356 HydrophobicContact CZ3-CB 4.47Å; W242-V356 HydrophobicContact CZ3-CG2 4.15Å
243	K	80.6	Confident	70.5	Confident	38 Å²	38	47.8 Å²	47.8	17%	0.165	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	132.5	169.6	-176.6	-170.8	179.5	-170.2	0	108.6	I264 L266 W328 Q329	K243-I264 HydrophobicContact CD-CD1 4.08Å; K243-I264 HydrophobicContact CD-CG2 3.91Å; K243-I264 HydrophobicContact CG-CG2 3.96Å; K243-L266 HydrophobicContact CB-CD2 4.44Å; K243-W328 WeakPolarHBondContact O-CA 3.49Å; K243-Q329 HydrophobicContact CB-CB 4.39Å; K243-Q329 PolarHBondContact N-O 3.26Å; K243-Q329 PolarHBondContact O-N 2.84Å
244	F	79.9	Confident	71.1	Confident	45 Å²	45	52.1 Å²	52.1	20%	0.197	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	127.5	172.6	179.5	-119.4	0	0	0	110.2	P246 L267 K324 W328	F244-P246 HydrophobicContact CD1-CG 4.13Å; F244-P246 HydrophobicContact CE1-CB 4.07Å; F244-P246 HydrophobicContact CE1-CG 3.77Å; F244-P246 HydrophobicContact CZ-CB 4.41Å; F244-L267 HydrophobicContact CB-CD1 4.28Å; F244-K324 HydrophobicContact CE1-CB 4.09Å; F244-K324 HydrophobicContact CZ-CB 3.82Å; F244-K324 VanDerWaalsContact CZ-O 3.28Å; F244-K324 WeakPolarHBondContact CZ-O 3.45Å; F244-W328 HydrophobicContact CB-CD2 4.22Å; F244-W328 HydrophobicContact CB-CE3 3.84Å; F244-W328 HydrophobicContact CB-CH2 3.84Å; F244-W328 HydrophobicContact CB-CZ2 4.19Å; F244-W328 HydrophobicContact CB-CZ3 3.66Å; F244-W328 AromaticContact CD2-CD2 3.75Å; F244-W328 HydrophobicContact CD2-CD2 3.75Å; F244-W328 AromaticContact CD2-CE2 3.38Å; F244-W328 HydrophobicContact CD2-CE3 4.25Å; F244-W328 HydrophobicContact CD2-CG 4.22Å; F244-W328 HydrophobicContact CD2-CH2 4.17Å; F244-W328 AromaticContact CD2-CZ2 3.62Å; F244-W328 HydrophobicContact CD2-CZ2 3.62Å; F244-W328 HydrophobicContact CD2-CZ3 4.46Å; F244-W328 AromaticContact CD2-NE1 3.62Å; F244-W328 HydrophobicContact CE2-CZ2 4.24Å; F244-W328 AromaticContact CE2-NE1 3.84Å; F244-W328 HydrophobicContact CG-CD2 4.41Å; F244-W328 HydrophobicContact CG-CE3 4.49Å; F244-W328 HydrophobicContact CG-CH2 4.13Å; F244-W328 HydrophobicContact CG-CZ2 4.01Å; F244-W328 HydrophobicContact CG-CZ3 4.37Å
245	V	76.3	Confident	71.9	Confident	13 Å²	13	48.6 Å²	48.6	8%	0.079	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	110.4	168.4	-177.1	0	0	0	0	107.8	Q249 D251 G326 A327	V245-Q249 HydrophobicContact CG1-CB 4.37Å; V245-D251 HydrophobicContact CG1-CB 4.24Å; V245-G326 CarbonylContact O-C 3.52Å; V245-G326 VanDerWaalsContact O-CA 3.24Å; V245-G326 WeakPolarHBondContact O-CA 3.39Å; V245-A327 HydrophobicContact CB-CB 4.41Å; V245-A327 PolarHBondContact N-O 3.16Å; V245-A327 PolarHBondContact O-N 2.77Å
246	P	71.5	Confident	72.7	Confident	33 Å²	33	48.4 Å²	48.4	21%	0.214	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	145.1	175.7	-22.6	30	0	0	0	112.7	F244 G248 Q249	F244-P246 HydrophobicContact CD1-CG 4.13Å; F244-P246 HydrophobicContact CE1-CB 4.07Å; F244-P246 HydrophobicContact CE1-CG 3.77Å; F244-P246 HydrophobicContact CZ-CB 4.41Å; P246-G248 PolarHBondContact O-N 3.03Å; P246-Q249 HydrophobicContact CB-CG 4.24Å; P246-Q249 PolarHBondContact O-N 3.47Å
247	Y	68.8	Low	73.3	Confident	61 Å²	61	47.4 Å²	47.4	24%	0.239	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	135.5	172.5	-164.4	-102.6	0	0	0	112.5	N189 K192 R199 Q249 S325	N189-Y247 WeakPolarHBondContact O-CE1 2.98Å; K192-Y247 PolarHBondContact O-OH 3.25Å; R199-Y247 VanDerWaalsContact CZ-CE2 3.46Å; R199-Y247 PolarHBondContact NH1-OH 2.73Å; R199-Y247 VanDerWaalsContact NH2-CE2 3.26Å; R199-Y247 PolarHBondContact NH2-OH 2.75Å; Y247-Q249 VanDerWaalsContact C-N 3.31Å; Y247-Q249 PolarHBondContact O-N 3.03Å; Y247-S325 VanDerWaalsContact CB-O 3.26Å; Y247-S325 WeakPolarHBondContact CB-O 3.29Å; Y247-S325 PolarHBondContact N-O 3.29Å
248	G	61.9	Low	73.5	Confident	32 Å²	32	51.2 Å²	51.2	33%	0.33	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.4	-5.7	179.5	0	0	0	0	0	115.3	P246	P246-G248 PolarHBondContact O-N 3.03Å
249	Q	65.4	Low	73	Confident	127 Å²	127	54 Å²	54	59%	0.593	28%	0.281	S	S	*	.	S	Bend	trans	-80.2	142.4	168	-68.5	-169.4	-12.8	0	0	110.3	V245 P246 Y247 D251	V245-Q249 HydrophobicContact CG1-CB 4.37Å; P246-Q249 HydrophobicContact CB-CG 4.24Å; P246-Q249 PolarHBondContact O-N 3.47Å; Y247-Q249 VanDerWaalsContact C-N 3.31Å; Y247-Q249 PolarHBondContact O-N 3.03Å; Q249-D251 PolarHBondContact O-N 2.73Å
250	I	64.9	Low	71.9	Confident	130 Å²	130	59.4 Å²	59.4	67%	0.667	30%	0.301	S	S	*	.			trans	-71	126.5	171.2	-55.8	173.9	0	0	0	107	D252	I250-D252 WeakPolarHBondContact CG2-OD1 3.49Å
251	D	68.4	Low	70.4	Confident	35 Å²	35	64.7 Å²	64.7	19%	0.187	33%	0.33	C	S	.	.			trans	-97.4	94.9	174	-169.7	2.7	0	0	0	110.8	R167 V245 Q249 T253 Q329	R167-D251 IonicContact CZ-OD2 2.75Å; R167-D251 IonicContact NH2-OD2 3.38Å; R167-D251 PolarHBondContact NH2-OD2 3.03Å; V245-D251 HydrophobicContact CG1-CB 4.24Å; Q249-D251 PolarHBondContact O-N 2.73Å; D251-T253 VanDerWaalsContact CG-OG1 3.3Å; D251-T253 PolarHBondContact O-N 3.16Å; D251-T253 WeakPolarHBondContact OD1-CB 3.4Å; D251-T253 WeakPolarHBondContact OD1-CG2 3.4Å; D251-T253 PolarHBondContact OD1-N 3.33Å; D251-T253 VanDerWaalsContact OD1-N 3.09Å; D251-T253 PolarHBondContact OD1-OG1 2.68Å; D251-T253 PolarHBondContact OD2-OG1 3.33Å; D251-Q329 PolarHBondContact OD2-NE2 2.68Å
252	D	69.9	Low	68.9	Low	137 Å²	137	65.4 Å²	65.4	73%	0.733	33%	0.334	S	S	*	.			trans	-86.2	9.3	178.3	-62.7	-37.9	0	0	0	113	I250	I250-D252 WeakPolarHBondContact CG2-OD1 3.49Å
253	T	75.2	Confident	67	Low	12 Å²	12	73 Å²	73	7%	0.074	37%	0.374	C	S	.	.			trans	-67.9	138.6	-179.4	54.3	0	0	0	0	111	R167 D251 E257 Q329 W331	R167-T253 VanDerWaalsContact NH1-C 3.34Å; R167-T253 PolarHBondContact NH1-O 3.39Å; R167-T253 PolarHBondContact NH1-OG1 2.88Å; D251-T253 VanDerWaalsContact CG-OG1 3.3Å; D251-T253 PolarHBondContact O-N 3.16Å; D251-T253 WeakPolarHBondContact OD1-CB 3.4Å; D251-T253 WeakPolarHBondContact OD1-CG2 3.4Å; D251-T253 PolarHBondContact OD1-N 3.33Å; D251-T253 VanDerWaalsContact OD1-N 3.09Å; D251-T253 PolarHBondContact OD1-OG1 2.68Å; D251-T253 PolarHBondContact OD2-OG1 3.33Å; T253-E257 WeakPolarHBondContact CG2-OE1 3.34Å; T253-Q329 PolarHBondContact OG1-NE2 2.91Å; T253-W331 HydrophobicContact CG2-CZ2 4.21Å
254	K	79.1	Confident	65.5	Low	143 Å²	143	73.4 Å²	73.4	62%	0.622	38%	0.378	S	S	*	.			trans	-90.9	161	174.5	-67.5	-175.7	177.6	-177.1	0	110	V256 W331	K254-V256 WeakPolarHBondContact CB-O 3.36Å; K254-V256 PolarHBondContact O-N 2.69Å; K254-V256 VanDerWaalsContact O-N 3.16Å; K254-W331 WeakPolarHBondContact O-CH2 3.49Å
255	V	79.9	Confident	63.9	Low	2 Å²	2	80 Å²	80	1%	0.012	41%	0.41	C	S	.	.	S	Bend	trans	-53.9	-36.3	172.8	-178.3	0	0	0	0	112.3	Y40 D42 M165 R167 L352	Y40-V255 HydrophobicContact CD1-CB 4.37Å; Y40-V255 HydrophobicContact CD1-CG1 3.74Å; Y40-V255 HydrophobicContact CG-CG1 4.3Å; D42-V255 WeakPolarHBondContact OD1-CG2 2.73Å; M165-V255 HydrophobicContact CB-CG1 3.6Å; M165-V255 HydrophobicContact SD-CG1 4.23Å; R167-V255 HydrophobicContact CB-CG2 3.43Å; R167-V255 VanDerWaalsContact CB-CG2 3.43Å; R167-V255 HydrophobicContact CG-CG2 4.4Å; V255-L352 PolarHBondContact O-N 2.85Å
256	V	78.5	Confident	62.5	Low	22 Å²	22	81.2 Å²	81.2	13%	0.133	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	133.1	174	171.7	0	0	0	0	111.6	Y40 K254 M258 I349 R350 W351	Y40-V256 HydrophobicContact CD1-CB 4.39Å; Y40-V256 HydrophobicContact CD1-CG2 3.4Å; Y40-V256 VanDerWaalsContact CD1-CG2 3.4Å; Y40-V256 HydrophobicContact CD2-CG2 4.31Å; Y40-V256 HydrophobicContact CE1-CB 4.23Å; Y40-V256 HydrophobicContact CE1-CG2 3.08Å; Y40-V256 HydrophobicContact CE2-CB 4.44Å; Y40-V256 HydrophobicContact CE2-CG2 4.04Å; Y40-V256 HydrophobicContact CG-CG2 4.02Å; Y40-V256 VanDerWaalsContact CZ-CG2 3.44Å; K254-V256 WeakPolarHBondContact CB-O 3.36Å; K254-V256 PolarHBondContact O-N 2.69Å; K254-V256 VanDerWaalsContact O-N 3.16Å; V256-M258 HydrophobicContact CG1-CE 4.12Å; V256-M258 HydrophobicContact CG1-CG 4.14Å; V256-I349 HydrophobicContact CG1-CG2 4.11Å; V256-R350 WeakPolarHBondContact CA-O 2.87Å; V256-W351 HydrophobicContact CG2-CD2 3.86Å; V256-W351 HydrophobicContact CG2-CE3 3.36Å; V256-W351 HydrophobicContact CG2-CZ3 3.82Å
257	E	76	Confident	61.1	Low	34 Å²	34	84.2 Å²	84.2	16%	0.159	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	123.3	172.6	-62.9	-176.4	171.2	0	0	109.2	T253 W331 I349 R350	T253-E257 WeakPolarHBondContact CG2-OE1 3.34Å; E257-W331 HydrophobicContact CG-CH2 4.1Å; E257-W331 HydrophobicContact CG-CZ3 4.32Å; E257-I349 WeakPolarHBondContact O-CA 3.39Å; E257-R350 HydrophobicContact CB-CB 4.5Å; E257-R350 PolarHBondContact N-O 2.94Å; E257-R350 PolarHBondContact O-N 2.85Å
258	M	69.7	Low	59.4	Low	122 Å²	122	89.5 Å²	89.5	60%	0.601	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113	101	169.4	-59.8	-176.5	-179.1	0	0	106.7	V256 I349	V256-M258 HydrophobicContact CG1-CE 4.12Å; V256-M258 HydrophobicContact CG1-CG 4.14Å; M258-I349 HydrophobicContact CG-CG1 4.28Å; M258-I349 HydrophobicContact CG-CG2 4.22Å
259	N	61.6	Low	58	Low	87 Å²	87	89.5 Å²	89.5	47%	0.465	45%	0.448	S	S	.	.			trans	-157.8	134.4	179.4	-147.8	-14.8	0	0	0	113	N261 H348	N259-N261 VanDerWaalsContact C-N 3.26Å; N259-N261 PolarHBondContact O-N 3.31Å; N259-H348 PolarHBondContact N-O 2.95Å; N259-H348 VanDerWaalsContact N-O 3.08Å; N259-H348 WeakPolarHBondContact O-CB 3.47Å
260	E	49.4	Very low	56.2	Low	149 Å²	149	87 Å²	87	70%	0.696	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-26.6	174.3	-66.8	-179.4	169	0	0	112.4
261	N	44.9	Very low	54.5	Low	129 Å²	129	87.4 Å²	87.4	69%	0.69	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.5	7.5	-166.3	-75.6	-20.2	0	0	0	115.8	N259 N263	N259-N261 VanDerWaalsContact C-N 3.26Å; N259-N261 PolarHBondContact O-N 3.31Å; N261-N263 PolarHBondContact O-N 2.74Å
262	S	45.4	Very low	52.5	Low	21 Å²	21	91.8 Å²	91.8	15%	0.147	46%	0.456	C	S	.	.			trans	-76	75.5	178.3	60.5	0	0	0	0	110.5	I264 R350	S262-I264 PolarHBondContact O-N 3.05Å; S262-R350 VanDerWaalsContact O-CZ 3.24Å; S262-R350 PolarHBondContact O-NH1 2.87Å; S262-R350 PolarHBondContact O-NH2 3.31Å; S262-R350 PolarHBondContact OG-NH1 2.74Å; S262-R350 PolarHBondContact OG-NH2 2.87Å
263	N	41.1	Very low	50.5	Low	160 Å²	160	94.3 Å²	94.3	86%	0.856	46%	0.457	S	S	*	.			trans	-69.4	63.3	170.7	-80.5	-24.2	0	0	0	110.9	N261 Q265	N261-N263 PolarHBondContact O-N 2.74Å; N263-Q265 PolarHBondContact O-N 2.78Å
264	I	47.7	Very low	48.5	Very low	47 Å²	47	97.3 Å²	97.3	24%	0.241	47%	0.472	C	S	.	.			trans	-78.3	111.6	164.6	-59.6	172.3	0	0	0	105.1	K243 S262 L266	K243-I264 HydrophobicContact CD-CD1 4.08Å; K243-I264 HydrophobicContact CD-CG2 3.91Å; K243-I264 HydrophobicContact CG-CG2 3.96Å; S262-I264 PolarHBondContact O-N 3.05Å; I264-L266 PolarHBondContact O-N 3.36Å
265	Q	47.5	Very low	46.2	Very low	185 Å²	185	97.9 Å²	97.9	86%	0.864	48%	0.477	S	S	*	.			trans	-63.5	92.7	164.6	-71.4	179.8	-2	0	0	106.8	N263 L267	N263-Q265 PolarHBondContact O-N 2.78Å; Q265-L267 PolarHBondContact O-N 3.31Å; Q265-L267 VanDerWaalsContact O-N 3.11Å
266	L	45.3	Very low	43.7	Very low	38 Å²	38	103.6 Å²	103.6	20%	0.199	51%	0.507	C	S	.	.			trans	-55.1	121.7	162.5	-74.3	169.2	0	0	0	105.7	K243 I264 Q268 Q333	K243-L266 HydrophobicContact CB-CD2 4.44Å; I264-L266 PolarHBondContact O-N 3.36Å; L266-Q268 PolarHBondContact O-N 3.05Å; L266-Q333 HydrophobicContact CD1-CG 4.3Å; L266-Q333 VanDerWaalsContact CD1-NE2 3.28Å; L266-Q333 VanDerWaalsContact CD1-OE1 3.29Å
267	L	41.9	Very low	41.4	Very low	96 Å²	96	105.6 Å²	105.6	50%	0.503	52%	0.521	S	S	.	.			trans	-58.5	113.2	172.8	-77.1	162	0	0	0	105.7	F244 Q265 L269 W328	F244-L267 HydrophobicContact CB-CD1 4.28Å; Q265-L267 PolarHBondContact O-N 3.31Å; Q265-L267 VanDerWaalsContact O-N 3.11Å; L267-L269 HydrophobicContact CB-CG 4.4Å; L267-L269 PolarHBondContact O-N 3.29Å; L267-W328 HydrophobicContact CD1-CH2 4.19Å; L267-W328 HydrophobicContact CD1-CZ3 4.1Å
268	Q	34.4	Very low	39.3	Very low	171 Å²	171	108.5 Å²	108.5	80%	0.799	54%	0.542	S	S	*	.			trans	-68.8	80.3	164.6	-156.3	177.6	8.7	0	0	105	L266 S270 Y271	L266-Q268 PolarHBondContact O-N 3.05Å; Q268-S270 PolarHBondContact O-N 3.12Å; Q268-Y271 HydrophobicContact CG-CE2 4.48Å
269	L	32.1	Very low	37.4	Very low	32 Å²	32	106.7 Å²	106.7	17%	0.168	53%	0.534	C	S	.	.			trans	-53.2	134.3	-177.3	-89.3	134.6	0	0	0	108.5	W242 L267 Y271 L315 W328	W242-L269 HydrophobicContact CB-CD1 3.74Å; W242-L269 HydrophobicContact CG-CD1 4.26Å; L267-L269 HydrophobicContact CB-CG 4.4Å; L267-L269 PolarHBondContact O-N 3.29Å; L269-Y271 WeakPolarHBondContact O-CD2 3.48Å; L269-Y271 PolarHBondContact O-N 3.37Å; L269-L315 HydrophobicContact CD1-CD1 4.16Å; L269-L315 HydrophobicContact CD2-CD1 4.28Å; L269-W328 HydrophobicContact CD1-CZ3 4.47Å
270	S	28	Very low	35.7	Very low	74 Å²	74	109.3 Å²	109.3	52%	0.517	55%	0.547	S	S	.	.			trans	-60.7	102	177.9	36.3	0	0	0	0	109.1	Q268 K272	Q268-S270 PolarHBondContact O-N 3.12Å; S270-K272 PolarHBondContact O-N 3.05Å; S270-K272 VanDerWaalsContact O-N 3.16Å
271	Y	29.4	Very low	34.4	Very low	140 Å²	140	109 Å²	109	55%	0.549	55%	0.55	S	S	.	.			trans	-53.8	119.7	172.9	-59	-88.3	0	0	0	109.4	Q268 L269 H313	Q268-Y271 HydrophobicContact CG-CE2 4.48Å; L269-Y271 WeakPolarHBondContact O-CD2 3.48Å; L269-Y271 PolarHBondContact O-N 3.37Å; Y271-H313 AromaticContact CE1-CD2 3.81Å; Y271-H313 AromaticContact CE1-NE2 3.54Å; Y271-H313 AromaticContact CZ-NE2 3.64Å; Y271-H313 PolarHBondContact OH-NE2 2.94Å
272	K	26.7	Very low	33.5	Very low	126 Å²	126	106.9 Å²	106.9	55%	0.548	55%	0.545	S	S	.	.			trans	-114.4	114.1	146.6	-148.2	179.4	-175.6	-172.7	0	105.6	S270 L274	S270-K272 PolarHBondContact O-N 3.05Å; S270-K272 VanDerWaalsContact O-N 3.16Å; K272-L274 PolarHBondContact O-N 3.12Å
273	Y	27.4	Very low	32.5	Very low	190 Å²	190	117.4 Å²	117.4	75%	0.745	58%	0.582	S	S	*	*			trans	-54.4	106.4	164.5	-133.1	-84.8	0	0	0	105.7	E275	Y273-E275 HydrophobicContact CD1-CB 4.3Å; Y273-E275 HydrophobicContact CD1-CG 3.37Å; Y273-E275 HydrophobicContact CE1-CG 3.92Å; Y273-E275 HydrophobicContact CG-CG 4.27Å; Y273-E275 PolarHBondContact O-N 3.47Å
274	L	32.4	Very low	31.8	Very low	75 Å²	75	116.5 Å²	116.5	39%	0.393	57%	0.571	S	S	.	*			trans	-76.6	91.3	153.8	-93.3	96	0	0	0	103.9	K272 N276	K272-L274 PolarHBondContact O-N 3.12Å; L274-N276 PolarHBondContact O-N 3.27Å; L274-N276 VanDerWaalsContact O-N 3.08Å
275	E	30.3	Very low	30.8	Very low	155 Å²	155	119.6 Å²	119.6	72%	0.724	59%	0.591	S	S	*	*	S	Bend	trans	-57.3	-16.3	167	-77.2	-176.5	160.7	0	0	111.3	Y273	Y273-E275 HydrophobicContact CD1-CB 4.3Å; Y273-E275 HydrophobicContact CD1-CG 3.37Å; Y273-E275 HydrophobicContact CE1-CG 3.92Å; Y273-E275 HydrophobicContact CG-CG 4.27Å; Y273-E275 PolarHBondContact O-N 3.47Å
276	N	27.9	Very low	29.7	Very low	123 Å²	123	120.2 Å²	120.2	66%	0.658	59%	0.591	S	S	*	*	S	Bend	trans	-140.8	91.4	173.7	-62.9	-59.6	0	0	0	108.9	L274	L274-N276 PolarHBondContact O-N 3.27Å; L274-N276 VanDerWaalsContact O-N 3.08Å
277	P	30.9	Very low	28.9	Very low	63 Å²	63	125.8 Å²	125.8	41%	0.409	61%	0.614	S	S	.	*			trans	-52.1	141.5	159.7	24.4	-31.8	0	0	0	107.8	I279	P277-I279 VanDerWaalsContact C-N 3.33Å; P277-I279 WeakPolarHBondContact O-CG1 3.1Å; P277-I279 PolarHBondContact O-N 3.46Å
278	P	31.8	Very low	28.2	Very low	95 Å²	95	127 Å²	127	62%	0.617	62%	0.621	S	S	*	*			trans	-57.7	104.9	176.4	23.3	-30.7	0	0	0	107.3	I280	P278-I280 PolarHBondContact O-N 2.7Å
279	I	28.9	Very low	28	Very low	84 Å²	84	127.6 Å²	127.6	43%	0.431	62%	0.624	S	S	.	*			trans	-60.9	104.2	-179.6	-61.2	175.7	0	0	0	105.1	P277 N281 F284	P277-I279 VanDerWaalsContact C-N 3.33Å; P277-I279 WeakPolarHBondContact O-CG1 3.1Å; P277-I279 PolarHBondContact O-N 3.46Å; I279-N281 VanDerWaalsContact C-N 3.35Å; I279-N281 PolarHBondContact O-N 3.16Å; I279-F284 HydrophobicContact CB-CE2 4.45Å; I279-F284 HydrophobicContact CD1-CE2 4.03Å; I279-F284 HydrophobicContact CG1-CE2 3.95Å; I279-F284 HydrophobicContact CG2-CD2 4.03Å; I279-F284 HydrophobicContact CG2-CE2 3.82Å
280	I	26.2	Very low	27.7	Very low	143 Å²	143	132.2 Å²	132.2	73%	0.733	65%	0.649	S	S	*	*			trans	-54.7	114	150	-63.7	171.5	0	0	0	102.9	P278 S282	P278-I280 PolarHBondContact O-N 2.7Å; I280-S282 PolarHBondContact O-N 2.96Å; I280-S282 PolarHBondContact O-OG 3.4Å
281	N	23.4	Very low	27.7	Very low	142 Å²	142	132.4 Å²	132.4	76%	0.759	65%	0.646	S	S	*	*			trans	-62.8	33.3	179.7	-81.5	-23.4	0	0	0	112.9	I279 W283	I279-N281 VanDerWaalsContact C-N 3.35Å; I279-N281 PolarHBondContact O-N 3.16Å; N281-W283 PolarHBondContact O-N 3.29Å; N281-W283 VanDerWaalsContact O-N 3.14Å
282	S	26.1	Very low	27.9	Very low	84 Å²	84	131.6 Å²	131.6	59%	0.587	66%	0.656	S	S	*	*	S	Bend	trans	-65.4	108.9	153	56.7	0	0	0	0	105.7	I280 F284	I280-S282 PolarHBondContact O-N 2.96Å; I280-S282 PolarHBondContact O-OG 3.4Å; S282-F284 PolarHBondContact O-N 2.62Å
283	W	23	Very low	28	Very low	242 Å²	242	136 Å²	136	92%	0.917	67%	0.671	S	S	*	*			trans	-30	107.1	176	-61	-16.2	0	0	0	110.8	N281 V285	N281-W283 PolarHBondContact O-N 3.29Å; N281-W283 VanDerWaalsContact O-N 3.14Å; W283-V285 PolarHBondContact O-N 3.12Å
284	F	27.4	Very low	28.3	Very low	142 Å²	142	131.7 Å²	131.7	62%	0.623	66%	0.66	S	S	*	*			trans	-50.1	106.9	151.4	-88	-93.5	0	0	0	103.7	I279 S282 K286	I279-F284 HydrophobicContact CB-CE2 4.45Å; I279-F284 HydrophobicContact CD1-CE2 4.03Å; I279-F284 HydrophobicContact CG1-CE2 3.95Å; I279-F284 HydrophobicContact CG2-CD2 4.03Å; I279-F284 HydrophobicContact CG2-CE2 3.82Å; S282-F284 PolarHBondContact O-N 2.62Å; F284-K286 VanDerWaalsContact C-N 3.29Å; F284-K286 PolarHBondContact O-N 3.17Å
285	V	26	Very low	28.4	Very low	111 Å²	111	132.7 Å²	132.7	67%	0.673	67%	0.666	S	S	*	*			trans	-42.9	110.7	160.1	173.7	0	0	0	0	103.2	W283 F287	W283-V285 PolarHBondContact O-N 3.12Å; V285-F287 WeakPolarHBondContact O-CD2 3.24Å; V285-F287 PolarHBondContact O-N 3.41Å
286	K	23.8	Very low	28.8	Very low	198 Å²	198	132.2 Å²	132.2	86%	0.861	66%	0.662	S	S	*	*			trans	-53.4	100.1	175.8	-99.3	-179.9	172.3	178.6	0	104.6	F284 N288	F284-K286 VanDerWaalsContact C-N 3.29Å; F284-K286 PolarHBondContact O-N 3.17Å; K286-N288 PolarHBondContact O-N 2.88Å
287	F	30	Very low	29.6	Very low	156 Å²	156	130.9 Å²	130.9	68%	0.684	66%	0.655	S	S	*	*			trans	-60	112.9	170.5	-85.1	-85.2	0	0	0	103.7	V285 E289	V285-F287 WeakPolarHBondContact O-CD2 3.24Å; V285-F287 PolarHBondContact O-N 3.41Å; F287-E289 VanDerWaalsContact C-N 3.32Å; F287-E289 PolarHBondContact O-N 3.07Å
288	N	26.4	Very low	30.3	Very low	121 Å²	121	129.8 Å²	129.8	65%	0.647	65%	0.645	S	S	*	*			trans	-65.2	100.7	-178.4	-145.6	12.5	0	0	0	105.4	K286 N290 V291	K286-N288 PolarHBondContact O-N 2.88Å; N288-N290 PolarHBondContact O-N 2.68Å; N288-V291 WeakPolarHBondContact O-CG2 3.46Å; N288-V291 PolarHBondContact O-N 2.6Å; N288-V291 VanDerWaalsContact O-N 3.14Å
289	E	29.5	Very low	30.9	Very low	183 Å²	183	125.5 Å²	125.5	86%	0.855	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	-14.2	178.9	-69.7	-179.8	161.8	0	0	111.7	F287 V291	F287-E289 VanDerWaalsContact C-N 3.32Å; F287-E289 PolarHBondContact O-N 3.07Å; E289-V291 VanDerWaalsContact C-N 3.28Å; E289-V291 PolarHBondContact O-N 3.12Å
290	N	26.8	Very low	31.8	Very low	129 Å²	129	124.4 Å²	124.4	69%	0.69	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.3	15.3	175.2	-75.6	-7.5	0	0	0	115.2	N288 T292	N288-N290 PolarHBondContact O-N 2.68Å; N290-T292 PolarHBondContact O-N 3.19Å
291	V	28.3	Very low	32.7	Very low	78 Å²	78	119.4 Å²	119.4	47%	0.473	59%	0.588	S	S	.	*			trans	-76	69.6	162.3	-169.9	0	0	0	0	108.7	N288 E289 Y293 L294	N288-V291 WeakPolarHBondContact O-CG2 3.46Å; N288-V291 PolarHBondContact O-N 2.6Å; N288-V291 VanDerWaalsContact O-N 3.14Å; E289-V291 VanDerWaalsContact C-N 3.28Å; E289-V291 PolarHBondContact O-N 3.12Å; V291-Y293 PolarHBondContact O-N 3.22Å; V291-L294 HydrophobicContact CG1-CD2 4.2Å; V291-L294 HydrophobicContact CG1-CG 4.04Å
292	T	33.7	Very low	33.7	Very low	123 Å²	123	117.1 Å²	117.1	76%	0.755	57%	0.569	S	S	*	*			trans	-77.7	1.8	176.5	42.7	0	0	0	0	113.4	N290	N290-T292 PolarHBondContact O-N 3.19Å
293	Y	29	Very low	34.6	Very low	219 Å²	219	116.9 Å²	116.9	86%	0.859	56%	0.558	S	S	*	*			trans	-119.6	66.9	169.9	-106.7	-93.4	0	0	0	110.3	V291 D295	V291-Y293 PolarHBondContact O-N 3.22Å; Y293-D295 PolarHBondContact O-N 2.75Å; Y293-D295 VanDerWaalsContact O-N 3.1Å
294	L	32.2	Very low	35.8	Very low	99 Å²	99	109.3 Å²	109.3	52%	0.518	54%	0.535	S	S	.	.			trans	-75.1	95.9	168.7	-81.6	158.1	0	0	0	108.7	V291 K296	V291-L294 HydrophobicContact CG1-CD2 4.2Å; V291-L294 HydrophobicContact CG1-CG 4.04Å; L294-K296 PolarHBondContact O-N 2.89Å
295	D	35.4	Very low	36.5	Very low	96 Å²	96	107.2 Å²	107.2	51%	0.513	53%	0.527	S	S	.	.			trans	-47.9	119.7	164	-177.8	11.1	0	0	0	109.4	Y293 N297 N298	Y293-D295 PolarHBondContact O-N 2.75Å; Y293-D295 VanDerWaalsContact O-N 3.1Å; D295-N297 PolarHBondContact O-N 3.38Å; D295-N297 PolarHBondContact OD1-N 2.92Å; D295-N298 PolarHBondContact O-N 2.74Å
296	K	38.5	Very low	37.2	Very low	145 Å²	145	102.6 Å²	102.6	63%	0.63	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-9.9	-174.2	-71.9	-179.1	177.8	178.4	0	113.1	L294	L294-K296 PolarHBondContact O-N 2.89Å
297	N	45.3	Very low	38.2	Very low	96 Å²	96	96.7 Å²	96.7	51%	0.513	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.8	14.1	-176.2	-66	-12.3	0	0	0	114.3	D295	D295-N297 PolarHBondContact O-N 3.38Å; D295-N297 PolarHBondContact OD1-N 2.92Å
298	N	44.5	Very low	38.8	Very low	39 Å²	39	93.5 Å²	93.5	21%	0.209	48%	0.477	C	S	.	.			trans	-79.9	130.8	178.8	-156.1	-17	0	0	0	111.6	K156 D295 L300 T301 R302	K156-N298 WeakPolarHBondContact CE-OD1 3.49Å; K156-N298 VanDerWaalsContact NZ-CG 3.31Å; K156-N298 PolarHBondContact NZ-ND2 2.73Å; D295-N298 PolarHBondContact O-N 2.74Å; N298-L300 HydrophobicContact CB-CB 4.11Å; N298-L300 PolarHBondContact O-N 2.67Å; N298-L300 VanDerWaalsContact O-N 3.13Å; N298-L300 PolarHBondContact OD1-N 3.49Å; N298-T301 WeakPolarHBondContact O-CA 3.47Å; N298-T301 VanDerWaalsContact O-CB 3.3Å; N298-T301 WeakPolarHBondContact O-CB 3.34Å; N298-T301 PolarHBondContact O-N 3.22Å; N298-T301 PolarHBondContact O-OG1 3.04Å; N298-R302 PolarHBondContact O-N 3.01Å
299	L	45	Very low	39.5	Very low	5 Å²	5	95.2 Å²	95.2	3%	0.026	48%	0.476	C	S	.	.	H	α-helix	trans	-54.3	-27.7	167.8	-119.2	137.8	0	0	0	111.5	L30 L155 T226 M230 T301 R302 Q303	L30-L299 HydrophobicContact CD1-CD1 4.46Å; L30-L299 HydrophobicContact CD2-CD1 3.91Å; L30-L299 HydrophobicContact CD2-CG 4.21Å; L155-L299 HydrophobicContact CB-CB 3.82Å; L155-L299 HydrophobicContact CB-CD1 3.64Å; L155-L299 HydrophobicContact CB-CD2 3.87Å; L155-L299 HydrophobicContact CB-CG 3.95Å; L155-L299 HydrophobicContact CD1-CB 4.23Å; L155-L299 HydrophobicContact CD1-CD2 3.58Å; L155-L299 HydrophobicContact CD1-CG 4.4Å; L155-L299 HydrophobicContact CG-CD2 4.3Å; T226-L299 HydrophobicContact CG2-CD2 3.72Å; M230-L299 HydrophobicContact CE-CD1 3.8Å; M230-L299 HydrophobicContact CE-CD2 3.98Å; L299-T301 VanDerWaalsContact C-N 3.29Å; L299-T301 PolarHBondContact O-N 3.42Å; L299-R302 CarbonylContact O-C 3.55Å; L299-R302 PolarHBondContact O-N 2.99Å; L299-R302 VanDerWaalsContact O-N 3.12Å; L299-Q303 WeakPolarHBondContact O-CB 3.25Å; L299-Q303 PolarHBondContact O-N 3.46Å
300	L	46.8	Very low	40.4	Very low	61 Å²	61	87.3 Å²	87.3	32%	0.319	44%	0.438	S	S	.	.	H	α-helix	trans	-54.4	-42.7	167.6	-163.9	85.4	0	0	0	112.4	N298 R302 Q303 I304	N298-L300 HydrophobicContact CB-CB 4.11Å; N298-L300 PolarHBondContact O-N 2.67Å; N298-L300 VanDerWaalsContact O-N 3.13Å; N298-L300 PolarHBondContact OD1-N 3.49Å; L300-R302 VanDerWaalsContact C-N 3.35Å; L300-Q303 CarbonylContact O-C 3.58Å; L300-Q303 PolarHBondContact O-N 3.13Å; L300-I304 HydrophobicContact CD2-CD1 4.1Å; L300-I304 HydrophobicContact CG-CD1 3.96Å; L300-I304 VanDerWaalsContact O-CB 3.32Å; L300-I304 WeakPolarHBondContact O-CB 3.31Å; L300-I304 WeakPolarHBondContact O-CD1 3.37Å; L300-I304 WeakPolarHBondContact O-CG1 3.33Å; L300-I304 PolarHBondContact O-N 3.16Å
301	T	44.7	Very low	41.4	Very low	38 Å²	38	87.3 Å²	87.3	23%	0.233	43%	0.432	C	S	.	.	H	α-helix	trans	-68.4	-35.5	177.4	-42.7	0	0	0	0	111	N298 L299 H305	N298-T301 WeakPolarHBondContact O-CA 3.47Å; N298-T301 VanDerWaalsContact O-CB 3.3Å; N298-T301 WeakPolarHBondContact O-CB 3.34Å; N298-T301 PolarHBondContact O-N 3.22Å; N298-T301 PolarHBondContact O-OG1 3.04Å; L299-T301 VanDerWaalsContact C-N 3.29Å; L299-T301 PolarHBondContact O-N 3.42Å; T301-H305 VanDerWaalsContact O-CB 3.25Å; T301-H305 WeakPolarHBondContact O-CB 3.49Å; T301-H305 PolarHBondContact O-CD2 3.36Å; T301-H305 PolarHBondContact O-N 2.83Å
302	R	44.9	Very low	42.5	Very low	95 Å²	95	86.3 Å²	86.3	36%	0.358	43%	0.432	S	S	.	.	H	α-helix	trans	-71.5	-34.4	171.8	-74.6	-170.4	-177	-173.1	0.8	112.5	T229 N298 L299 L300 H305 A306	T229-R302 PolarHBondContact O-NH1 3.43Å; N298-R302 PolarHBondContact O-N 3.01Å; L299-R302 CarbonylContact O-C 3.55Å; L299-R302 PolarHBondContact O-N 2.99Å; L299-R302 VanDerWaalsContact O-N 3.12Å; L300-R302 VanDerWaalsContact C-N 3.35Å; R302-H305 CarbonylContact O-C 3.54Å; R302-A306 WeakPolarHBondContact O-CA 3.34Å; R302-A306 WeakPolarHBondContact O-CB 3.33Å; R302-A306 PolarHBondContact O-N 2.94Å
303	Q	44.9	Very low	43.8	Very low	78 Å²	78	82.2 Å²	82.2	36%	0.364	40%	0.404	S	S	.	.	H	α-helix	trans	-70.3	-37.2	173.8	-171.6	-177.8	2.6	0	0	110.6	L299 L300 A306 S307	L299-Q303 WeakPolarHBondContact O-CB 3.25Å; L299-Q303 PolarHBondContact O-N 3.46Å; L300-Q303 CarbonylContact O-C 3.58Å; L300-Q303 PolarHBondContact O-N 3.13Å; Q303-A306 CarbonylContact O-C 3.55Å; Q303-A306 PolarHBondContact O-N 3.02Å; Q303-S307 WeakPolarHBondContact O-CB 3.27Å; Q303-S307 PolarHBondContact O-N 3.49Å; Q303-S307 PolarHBondContact O-OG 2.94Å
304	I	48.1	Very low	45.6	Very low	83 Å²	83	78 Å²	78	43%	0.426	39%	0.387	S	S	.	.	H	α-helix	trans	-69	-47.5	171.9	-69.5	163.3	0	0	0	109.6	L300 A306 S307 T308	L300-I304 HydrophobicContact CD2-CD1 4.1Å; L300-I304 HydrophobicContact CG-CD1 3.96Å; L300-I304 VanDerWaalsContact O-CB 3.32Å; L300-I304 WeakPolarHBondContact O-CB 3.31Å; L300-I304 WeakPolarHBondContact O-CD1 3.37Å; L300-I304 WeakPolarHBondContact O-CG1 3.33Å; L300-I304 PolarHBondContact O-N 3.16Å; I304-A306 PolarHBondContact O-N 2.82Å; I304-S307 VanDerWaalsContact CA-OG 3.31Å; I304-S307 WeakPolarHBondContact CA-OG 3.26Å; I304-S307 CarbonylContact O-C 3.5Å; I304-S307 PolarHBondContact O-N 3.22Å; I304-S307 VanDerWaalsContact O-N 3.16Å; I304-S307 PolarHBondContact O-OG 3.46Å; I304-T308 HydrophobicContact CG2-CG2 4.28Å; I304-T308 WeakPolarHBondContact O-CB 3.42Å; I304-T308 WeakPolarHBondContact O-CG2 3.45Å; I304-T308 PolarHBondContact O-N 3.45Å; I304-T308 PolarHBondContact O-OG1 3.24Å
305	H	42.3	Very low	47.4	Very low	98 Å²	98	73.3 Å²	73.3	45%	0.454	36%	0.362	S	S	.	.	H	α-helix	trans	-58.2	-38.4	172.1	-88.3	-61.5	0	0	0	111.2	T301 R302 T308 Y309	T301-H305 VanDerWaalsContact O-CB 3.25Å; T301-H305 WeakPolarHBondContact O-CB 3.49Å; T301-H305 PolarHBondContact O-CD2 3.36Å; T301-H305 PolarHBondContact O-N 2.83Å; R302-H305 CarbonylContact O-C 3.54Å; H305-T308 WeakPolarHBondContact CA-OG1 3.25Å; H305-T308 PolarHBondContact O-N 3.35Å; H305-T308 PolarHBondContact O-OG1 3.25Å; H305-T308 VanDerWaalsContact O-OG1 3.05Å; H305-Y309 HydrophobicContact CB-CD2 4.4Å; H305-Y309 AromaticContact ND1-CE2 3.58Å; H305-Y309 WeakPolarHBondContact O-CB 2.98Å; H305-Y309 VanDerWaalsContact O-CD2 3.27Å; H305-Y309 WeakPolarHBondContact O-CD2 3.24Å; H305-Y309 PolarHBondContact O-N 3.17Å
306	A	42	Very low	49.1	Very low	14 Å²	14	70 Å²	70	12%	0.116	35%	0.348	C	S	.	.	H	α-helix	trans	-66.3	-48.9	174.4	0	0	0	0	0	110.8	R302 Q303 I304 T308 W310	R302-A306 WeakPolarHBondContact O-CA 3.34Å; R302-A306 WeakPolarHBondContact O-CB 3.33Å; R302-A306 PolarHBondContact O-N 2.94Å; Q303-A306 CarbonylContact O-C 3.55Å; Q303-A306 PolarHBondContact O-N 3.02Å; I304-A306 PolarHBondContact O-N 2.82Å; A306-T308 PolarHBondContact O-N 3.32Å; A306-T308 VanDerWaalsContact O-N 3.16Å; A306-W310 VanDerWaalsContact C-CD1 3.43Å; A306-W310 HydrophobicContact CB-CD2 4.38Å; A306-W310 HydrophobicContact CB-CG 4.4Å; A306-W310 HydrophobicContact CB-CZ2 3.76Å; A306-W310 VanDerWaalsContact O-CA 3.24Å; A306-W310 WeakPolarHBondContact O-CA 3.45Å; A306-W310 WeakPolarHBondContact O-CB 3.4Å; A306-W310 PolarHBondContact O-N 2.84Å
307	S	44.3	Very low	50.7	Low	75 Å²	75	63.1 Å²	63.1	52%	0.524	32%	0.318	S	S	.	.	H	α-helix	trans	-62.7	-26.3	175.8	72.2	0	0	0	0	113.9	Q303 I304 W310	Q303-S307 WeakPolarHBondContact O-CB 3.27Å; Q303-S307 PolarHBondContact O-N 3.49Å; Q303-S307 PolarHBondContact O-OG 2.94Å; I304-S307 VanDerWaalsContact CA-OG 3.31Å; I304-S307 WeakPolarHBondContact CA-OG 3.26Å; I304-S307 CarbonylContact O-C 3.5Å; I304-S307 PolarHBondContact O-N 3.22Å; I304-S307 VanDerWaalsContact O-N 3.16Å; I304-S307 PolarHBondContact O-OG 3.46Å; S307-W310 VanDerWaalsContact O-O 3.13Å
308	T	41.8	Very low	52.1	Low	88 Å²	88	59.3 Å²	59.3	54%	0.54	30%	0.298	S	S	.	.	H	α-helix	trans	-88.3	-38.8	-178	46.1	0	0	0	0	112.9	I304 H305 A306	I304-T308 HydrophobicContact CG2-CG2 4.28Å; I304-T308 WeakPolarHBondContact O-CB 3.42Å; I304-T308 WeakPolarHBondContact O-CG2 3.45Å; I304-T308 PolarHBondContact O-N 3.45Å; I304-T308 PolarHBondContact O-OG1 3.24Å; H305-T308 WeakPolarHBondContact CA-OG1 3.25Å; H305-T308 PolarHBondContact O-N 3.35Å; H305-T308 PolarHBondContact O-OG1 3.25Å; H305-T308 VanDerWaalsContact O-OG1 3.05Å; A306-T308 PolarHBondContact O-N 3.32Å; A306-T308 VanDerWaalsContact O-N 3.16Å
309	Y	42.4	Very low	53.3	Low	157 Å²	157	57.9 Å²	57.9	62%	0.616	29%	0.291	S	S	*	.	H	α-helix	trans	-80.2	-27.7	172.2	-75.5	-74.8	0	0	0	112.4	T236 H305	T236-Y309 HydrophobicContact CG2-CD1 4.1Å; T236-Y309 HydrophobicContact CG2-CG 4.22Å; H305-Y309 HydrophobicContact CB-CD2 4.4Å; H305-Y309 AromaticContact ND1-CE2 3.58Å; H305-Y309 WeakPolarHBondContact O-CB 2.98Å; H305-Y309 VanDerWaalsContact O-CD2 3.27Å; H305-Y309 WeakPolarHBondContact O-CD2 3.24Å; H305-Y309 PolarHBondContact O-N 3.17Å
310	W	48.4	Very low	54.3	Low	17 Å²	17	60.3 Å²	60.3	6%	0.064	31%	0.308	C	S	.	.	S	Bend	trans	-115	89.1	-171.8	-35.7	34.5	0	0	0	104.4	L225 T229 P235 W238 I240 A306 S307 A312	L225-W310 VanDerWaalsContact CA-CH2 3.48Å; L225-W310 HydrophobicContact CB-CE3 4.07Å; L225-W310 HydrophobicContact CB-CH2 3.23Å; L225-W310 HydrophobicContact CB-CZ2 3.75Å; L225-W310 HydrophobicContact CB-CZ3 3.49Å; L225-W310 VanDerWaalsContact CB-CZ3 3.49Å; L225-W310 HydrophobicContact CD1-CB 4.46Å; L225-W310 HydrophobicContact CD1-CD2 3.69Å; L225-W310 HydrophobicContact CD1-CE3 3.22Å; L225-W310 HydrophobicContact CD1-CG 4.4Å; L225-W310 HydrophobicContact CD1-CH2 4.04Å; L225-W310 HydrophobicContact CD1-CZ2 4.32Å; L225-W310 HydrophobicContact CD1-CZ3 3.56Å; L225-W310 HydrophobicContact CD2-CE3 3.4Å; L225-W310 VanDerWaalsContact CD2-CE3 3.4Å; L225-W310 HydrophobicContact CD2-CH2 3.68Å; L225-W310 HydrophobicContact CD2-CZ3 2.94Å; L225-W310 HydrophobicContact CG-CD2 4.37Å; L225-W310 HydrophobicContact CG-CE3 3.59Å; L225-W310 HydrophobicContact CG-CH2 3.68Å; L225-W310 HydrophobicContact CG-CZ2 4.34Å; L225-W310 HydrophobicContact CG-CZ3 3.32Å; T229-W310 HydrophobicContact CG2-CH2 4.33Å; T229-W310 HydrophobicContact CG2-CZ2 3.82Å; P235-W310 HydrophobicContact CB-CD2 4.11Å; P235-W310 HydrophobicContact CB-CE3 4.43Å; P235-W310 HydrophobicContact CB-CH2 3.19Å; P235-W310 HydrophobicContact CB-CZ2 2.84Å; P235-W310 HydrophobicContact CB-CZ3 3.93Å; P235-W310 VanDerWaalsContact CB-NE1 3.3Å; P235-W310 HydrophobicContact CG-CH2 4.46Å; P235-W310 HydrophobicContact CG-CZ2 3.76Å; W238-W310 HydrophobicContact CB-CZ3 4.34Å; I240-W310 HydrophobicContact CD1-CB 4.46Å; A306-W310 VanDerWaalsContact C-CD1 3.43Å; A306-W310 HydrophobicContact CB-CD2 4.38Å; A306-W310 HydrophobicContact CB-CG 4.4Å; A306-W310 HydrophobicContact CB-CZ2 3.76Å; A306-W310 VanDerWaalsContact O-CA 3.24Å; A306-W310 WeakPolarHBondContact O-CA 3.45Å; A306-W310 WeakPolarHBondContact O-CB 3.4Å; A306-W310 PolarHBondContact O-N 2.84Å; S307-W310 VanDerWaalsContact O-O 3.13Å; W310-A312 PolarHBondContact O-N 3.4Å
311	K	47.8	Very low	55.3	Low	130 Å²	130	61.3 Å²	61.3	57%	0.565	31%	0.313	S	S	*	.			trans	-59.4	109.8	172.7	-64	178.6	-177.8	178.3	0	105.7	H313	K311-H313 VanDerWaalsContact C-N 3.33Å; K311-H313 PolarHBondContact O-CE1 3.07Å; K311-H313 PolarHBondContact O-N 3.43Å; K311-H313 PolarHBondContact O-ND1 2.88Å
312	A	50	Low	56.4	Low	57 Å²	57	68.8 Å²	68.8	47%	0.471	34%	0.343	S	S	.	.			trans	-53.7	103.8	167.5	0	0	0	0	0	106.9	W310 W314	W310-A312 PolarHBondContact O-N 3.4Å; A312-W314 PolarHBondContact O-N 3.46Å
313	H	60.6	Low	57.5	Low	37 Å²	37	66 Å²	66	17%	0.171	33%	0.333	C	S	.	.			trans	-71.2	94.9	173.5	-67.9	77.6	0	0	0	105.6	I240 W242 Y271 K311 L315	I240-H313 PolarHBondContact O-CE1 3.13Å; I240-H313 PolarHBondContact O-ND1 3.38Å; W242-H313 PolarHBondContact NE1-O 2.95Å; Y271-H313 AromaticContact CE1-CD2 3.81Å; Y271-H313 AromaticContact CE1-NE2 3.54Å; Y271-H313 AromaticContact CZ-NE2 3.64Å; Y271-H313 PolarHBondContact OH-NE2 2.94Å; K311-H313 VanDerWaalsContact C-N 3.33Å; K311-H313 PolarHBondContact O-CE1 3.07Å; K311-H313 PolarHBondContact O-N 3.43Å; K311-H313 PolarHBondContact O-ND1 2.88Å; H313-L315 PolarHBondContact O-N 2.95Å
314	W	67.5	Low	58.7	Low	130 Å²	130	69.3 Å²	69.3	49%	0.492	35%	0.347	S	S	.	.			trans	-58.5	124.7	157.9	-67.9	84	0	0	0	106.4	H216 A217 P218 A312 A316	H216-W314 HydrophobicContact CB-CE3 4.25Å; H216-W314 AromaticContact ND1-CE3 3.5Å; H216-W314 AromaticContact ND1-CZ3 3.37Å; H216-W314 WeakPolarHBondContact ND1-CZ3 3.38Å; A217-W314 CarbonylContact O-C 3.56Å; A217-W314 WeakPolarHBondContact O-CA 3.41Å; P218-W314 HydrophobicContact CB-CE3 4.1Å; P218-W314 HydrophobicContact CB-CH2 3.98Å; P218-W314 HydrophobicContact CB-CZ2 4.38Å; P218-W314 HydrophobicContact CB-CZ3 3.82Å; P218-W314 HydrophobicContact CG-CH2 4.34Å; P218-W314 HydrophobicContact CG-CZ3 4.05Å; A312-W314 PolarHBondContact O-N 3.46Å; W314-A316 PolarHBondContact O-N 3.4Å; W314-A316 VanDerWaalsContact O-N 3.16Å
315	L	70	Confident	60.1	Low	0 Å²	0	67 Å²	67	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	118.9	159.3	177.7	65.6	0	0	0	105.5	F215 H216 A217 W242 L269 H313 L317 W328	F215-L315 HydrophobicContact CD1-CD2 4.22Å; F215-L315 HydrophobicContact CE1-CD2 3.97Å; H216-L315 CarbonylContact C-O 3.46Å; H216-L315 WeakPolarHBondContact CA-O 3.16Å; A217-L315 HydrophobicContact CB-CB 4.38Å; A217-L315 PolarHBondContact N-O 2.99Å; A217-L315 PolarHBondContact O-N 3.47Å; W242-L315 HydrophobicContact CB-CD1 4.41Å; W242-L315 HydrophobicContact CD2-CB 3.97Å; W242-L315 HydrophobicContact CD2-CD1 4.42Å; W242-L315 HydrophobicContact CE3-CB 4.45Å; W242-L315 HydrophobicContact CE3-CD2 4.45Å; W242-L315 HydrophobicContact CG-CB 4.35Å; W242-L315 HydrophobicContact CG-CD1 4.25Å; W242-L315 HydrophobicContact CH2-CB 4.41Å; W242-L315 HydrophobicContact CZ2-CB 3.94Å; L269-L315 HydrophobicContact CD1-CD1 4.16Å; L269-L315 HydrophobicContact CD2-CD1 4.28Å; H313-L315 PolarHBondContact O-N 2.95Å; L315-L317 HydrophobicContact CD1-CD2 3.65Å; L315-L317 HydrophobicContact CD2-CD2 4.12Å; L315-L317 HydrophobicContact CG-CD2 3.74Å; L315-L317 HydrophobicContact CG-CG 4.41Å; L315-W328 HydrophobicContact CD1-CD2 3.62Å; L315-W328 HydrophobicContact CD1-CE3 3.42Å; L315-W328 VanDerWaalsContact CD1-CE3 3.42Å; L315-W328 HydrophobicContact CD1-CG 4.17Å; L315-W328 HydrophobicContact CD1-CH2 4.2Å; L315-W328 HydrophobicContact CD1-CZ2 4.39Å; L315-W328 HydrophobicContact CD1-CZ3 3.72Å; L315-W328 HydrophobicContact CD2-CB 3.57Å; L315-W328 HydrophobicContact CD2-CD2 3.79Å; L315-W328 HydrophobicContact CD2-CE3 4.37Å; L315-W328 HydrophobicContact CD2-CG 3.42Å; L315-W328 VanDerWaalsContact CD2-CG 3.42Å; L315-W328 HydrophobicContact CG-CD2 4.34Å; L315-W328 HydrophobicContact CG-CG 4.44Å
316	A	71.9	Confident	61.7	Low	26 Å²	26	62.6 Å²	62.6	22%	0.215	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	111.6	175.6	0	0	0	0	0	108.4	T213 F215 W314	T213-A316 HydrophobicContact CG2-CB 4.29Å; F215-A316 WeakPolarHBondContact O-CA 3.39Å; W314-A316 PolarHBondContact O-N 3.4Å; W314-A316 VanDerWaalsContact O-N 3.16Å
317	L	72.3	Confident	63.5	Low	1 Å²	1	62.3 Å²	62.3	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	116	175.4	-48.1	-176.1	0	0	0	107.7	T213 L214 F215 L315 Q323 W328 V358	T213-L317 CarbonylContact C-O 3.28Å; L214-L317 WeakPolarHBondContact CB-O 3.2Å; L214-L317 PolarHBondContact N-O 2.92Å; F215-L317 HydrophobicContact CB-CB 4.04Å; F215-L317 HydrophobicContact CB-CD1 3.86Å; F215-L317 HydrophobicContact CB-CG 3.96Å; F215-L317 HydrophobicContact CD1-CD1 3.67Å; F215-L317 HydrophobicContact CD1-CG 3.92Å; F215-L317 HydrophobicContact CG-CD1 4.13Å; F215-L317 HydrophobicContact CG-CG 4.43Å; F215-L317 PolarHBondContact N-O 3.46Å; F215-L317 PolarHBondContact O-N 3.43Å; L315-L317 HydrophobicContact CD1-CD2 3.65Å; L315-L317 HydrophobicContact CD2-CD2 4.12Å; L315-L317 HydrophobicContact CG-CD2 3.74Å; L315-L317 HydrophobicContact CG-CG 4.41Å; L317-Q323 VanDerWaalsContact CB-OE1 3.24Å; L317-Q323 VanDerWaalsContact CD1-OE1 3.29Å; L317-Q323 VanDerWaalsContact CG-OE1 3.29Å; L317-W328 HydrophobicContact CD2-CH2 4.32Å; L317-W328 HydrophobicContact CD2-CZ2 3.69Å; L317-V358 HydrophobicContact CD1-CB 4.44Å; L317-V358 HydrophobicContact CD1-CG1 3.8Å; L317-V358 HydrophobicContact CD1-CG2 4.22Å
318	N	74.3	Confident	65.4	Low	16 Å²	16	59.1 Å²	59.1	9%	0.086	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	147.3	-179.2	-68.5	-30.5	0	0	0	111	V212 T213 S320 I321	V212-N318 WeakPolarHBondContact O-CA 3.24Å; T213-N318 PolarHBondContact OG1-OD1 3.39Å; N318-S320 PolarHBondContact O-N 2.88Å; N318-I321 PolarHBondContact O-N 3.36Å
319	S	69.7	Low	67.4	Low	10 Å²	10	55 Å²	55	7%	0.07	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-3.6	175.3	62.9	0	0	0	0	115.2	Y204 R209 N211 V212	Y204-S319 VanDerWaalsContact CZ-O 3.3Å; Y204-S319 VanDerWaalsContact OH-C 3.23Å; Y204-S319 PolarHBondContact OH-O 3.46Å; R209-S319 WeakPolarHBondContact O-CB 3.42Å; R209-S319 PolarHBondContact O-OG 3.45Å; N211-S319 PolarHBondContact N-OG 2.86Å; V212-S319 PolarHBondContact N-OG 3.45Å; V212-S319 PolarHBondContact O-N 3.31Å; V212-S319 PolarHBondContact O-OG 3.25Å
320	S	66.3	Low	69.4	Low	55 Å²	55	47.5 Å²	47.5	39%	0.385	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-23	178.1	49.8	0	0	0	0	113.2	N211 N318	N211-S320 PolarHBondContact OD1-OG 3.2Å; N318-S320 PolarHBondContact O-N 2.88Å
321	I	67.5	Low	71.1	Confident	83 Å²	83	46.9 Å²	46.9	43%	0.426	24%	0.236	S	C	.	.	S	Bend	trans	-114.3	121	-177.3	-57.4	173.4	0	0	0	108.1	Y204 N318 Q323	Y204-I321 PolarHBondContact OH-O 3.48Å; N318-I321 PolarHBondContact O-N 3.36Å; I321-Q323 HydrophobicContact CG2-CG 4.27Å; I321-Q323 PolarHBondContact O-N 3Å
322	K	66.5	Low	72.7	Confident	195 Å²	195	40.7 Å²	40.7	85%	0.848	21%	0.209	S	C	*	.			trans	-65.2	111.9	171.5	-171.9	178.4	-177.5	-179.5	0	108.5
323	Q	69.2	Low	73.9	Confident	35 Å²	35	40 Å²	40	16%	0.164	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-104	159.2	179.9	-72.1	-176.5	-5.5	0	0	111.2	L317 I321 I360	L317-Q323 VanDerWaalsContact CB-OE1 3.24Å; L317-Q323 VanDerWaalsContact CD1-OE1 3.29Å; L317-Q323 VanDerWaalsContact CG-OE1 3.29Å; I321-Q323 HydrophobicContact CG2-CG 4.27Å; I321-Q323 PolarHBondContact O-N 3Å; Q323-I360 VanDerWaalsContact C-CD1 3.43Å; Q323-I360 HydrophobicContact CB-CD1 3.28Å; Q323-I360 WeakPolarHBondContact O-CD1 3.48Å
324	K	70.7	Confident	74.5	Confident	149 Å²	149	40.7 Å²	40.7	65%	0.648	20%	0.197	S	C	*	.	P	Polyproline II helix	trans	-98.9	151	174.4	-66.3	-178.2	179.4	-178	0	109.4	F244 I360	F244-K324 HydrophobicContact CE1-CB 4.09Å; F244-K324 HydrophobicContact CZ-CB 3.82Å; F244-K324 VanDerWaalsContact CZ-O 3.28Å; F244-K324 WeakPolarHBondContact CZ-O 3.45Å; K324-I360 WeakPolarHBondContact O-CD1 3.36Å
325	S	76.1	Confident	74.4	Confident	34 Å²	34	35.6 Å²	35.6	24%	0.238	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-61.8	148.1	165.3	-55.6	0	0	0	0	109.9	Y247 V358 I360	Y247-S325 VanDerWaalsContact CB-O 3.26Å; Y247-S325 WeakPolarHBondContact CB-O 3.29Å; Y247-S325 PolarHBondContact N-O 3.29Å; S325-V358 WeakPolarHBondContact CA-O 3.25Å; S325-I360 PolarHBondContact OG-N 2.92Å
326	G	77.1	Confident	74	Confident	5 Å²	5	38 Å²	38	5%	0.052	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.5	-169.9	-179.1	0	0	0	0	0	112.8	V245 V358	V245-G326 CarbonylContact O-C 3.52Å; V245-G326 VanDerWaalsContact O-CA 3.24Å; V245-G326 WeakPolarHBondContact O-CA 3.39Å; G326-V358 PolarHBondContact N-O 3.44Å; G326-V358 PolarHBondContact O-N 2.78Å
327	A	80	Confident	73.2	Confident	9 Å²	9	41.1 Å²	41.1	7%	0.074	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	140.3	173.4	0	0	0	0	0	110	V245 E355	V245-A327 HydrophobicContact CB-CB 4.41Å; V245-A327 PolarHBondContact N-O 3.16Å; V245-A327 PolarHBondContact O-N 2.77Å; A327-E355 HydrophobicContact CB-CG 4.25Å
328	W	82.8	Confident	72.3	Confident	8 Å²	8	50.2 Å²	50.2	3%	0.03	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	122.5	171.9	-70.6	91.6	0	0	0	108.3	W242 K243 F244 L267 L269 L315 L317 E355 V356	W242-W328 HydrophobicContact CB-CE3 4.17Å; W242-W328 HydrophobicContact CE3-CB 3.8Å; W242-W328 HydrophobicContact CZ3-CB 4.04Å; W242-W328 WeakPolarHBondContact CZ3-O 3.33Å; K243-W328 WeakPolarHBondContact O-CA 3.49Å; F244-W328 HydrophobicContact CB-CD2 4.22Å; F244-W328 HydrophobicContact CB-CE3 3.84Å; F244-W328 HydrophobicContact CB-CH2 3.84Å; F244-W328 HydrophobicContact CB-CZ2 4.19Å; F244-W328 HydrophobicContact CB-CZ3 3.66Å; F244-W328 AromaticContact CD2-CD2 3.75Å; F244-W328 HydrophobicContact CD2-CD2 3.75Å; F244-W328 AromaticContact CD2-CE2 3.38Å; F244-W328 HydrophobicContact CD2-CE3 4.25Å; F244-W328 HydrophobicContact CD2-CG 4.22Å; F244-W328 HydrophobicContact CD2-CH2 4.17Å; F244-W328 AromaticContact CD2-CZ2 3.62Å; F244-W328 HydrophobicContact CD2-CZ2 3.62Å; F244-W328 HydrophobicContact CD2-CZ3 4.46Å; F244-W328 AromaticContact CD2-NE1 3.62Å; F244-W328 HydrophobicContact CE2-CZ2 4.24Å; F244-W328 AromaticContact CE2-NE1 3.84Å; F244-W328 HydrophobicContact CG-CD2 4.41Å; F244-W328 HydrophobicContact CG-CE3 4.49Å; F244-W328 HydrophobicContact CG-CH2 4.13Å; F244-W328 HydrophobicContact CG-CZ2 4.01Å; F244-W328 HydrophobicContact CG-CZ3 4.37Å; L267-W328 HydrophobicContact CD1-CH2 4.19Å; L267-W328 HydrophobicContact CD1-CZ3 4.1Å; L269-W328 HydrophobicContact CD1-CZ3 4.47Å; L315-W328 HydrophobicContact CD1-CD2 3.62Å; L315-W328 HydrophobicContact CD1-CE3 3.42Å; L315-W328 VanDerWaalsContact CD1-CE3 3.42Å; L315-W328 HydrophobicContact CD1-CG 4.17Å; L315-W328 HydrophobicContact CD1-CH2 4.2Å; L315-W328 HydrophobicContact CD1-CZ2 4.39Å; L315-W328 HydrophobicContact CD1-CZ3 3.72Å; L315-W328 HydrophobicContact CD2-CB 3.57Å; L315-W328 HydrophobicContact CD2-CD2 3.79Å; L315-W328 HydrophobicContact CD2-CE3 4.37Å; L315-W328 HydrophobicContact CD2-CG 3.42Å; L315-W328 VanDerWaalsContact CD2-CG 3.42Å; L315-W328 HydrophobicContact CG-CD2 4.34Å; L315-W328 HydrophobicContact CG-CG 4.44Å; L317-W328 HydrophobicContact CD2-CH2 4.32Å; L317-W328 HydrophobicContact CD2-CZ2 3.69Å; W328-E355 CarbonylContact O-C 3.59Å; W328-E355 WeakPolarHBondContact O-CA 3.47Å; W328-V356 PolarHBondContact N-O 3.23Å; W328-V356 PolarHBondContact O-N 3.45Å
329	Q	84.5	Confident	71.4	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	127	-177.6	-68.2	177.9	-31.3	0	0	110.2	W242 K243 D251 T253 W331 L352 N354 E355	W242-Q329 CarbonylContact C-O 3.55Å; W242-Q329 VanDerWaalsContact CA-O 3.26Å; W242-Q329 WeakPolarHBondContact CA-O 3.43Å; K243-Q329 HydrophobicContact CB-CB 4.39Å; K243-Q329 PolarHBondContact N-O 3.26Å; K243-Q329 PolarHBondContact O-N 2.84Å; D251-Q329 PolarHBondContact OD2-NE2 2.68Å; T253-Q329 PolarHBondContact OG1-NE2 2.91Å; Q329-W331 VanDerWaalsContact CB-NE1 3.29Å; Q329-L352 HydrophobicContact CB-CD1 3.61Å; Q329-L352 HydrophobicContact CG-CD1 3.92Å; Q329-N354 CarbonylContact C-O 3.54Å; Q329-N354 WeakPolarHBondContact CA-O 3.45Å; Q329-E355 HydrophobicContact CG-CG 4.02Å; Q329-E355 PolarHBondContact NE2-OE2 2.88Å; Q329-E355 VanDerWaalsContact NE2-OE2 3.16Å
330	C	85.1	Confident	70.4	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	118.9	169.5	-167.9	0	0	0	0	110.8	C219 I240 W242 T353 N354	C219-C330 HydrophobicContact CB-CB 3.83Å; C219-C330 WeakPolarHBondContact CB-SG 3.3Å; C219-C330 WeakPolarHBondContact SG-CB 3.36Å; C219-C330 CovalentContact SG-SG 2Å; C219-C330 PolarHBondContact SG-SG 2.82Å; I240-C330 WeakPolarHBondContact CG2-SG 3.36Å; W242-C330 HydrophobicContact CD2-CB 4.07Å; W242-C330 HydrophobicContact CE3-CB 3.96Å; W242-C330 HydrophobicContact CH2-CB 3.83Å; W242-C330 HydrophobicContact CZ2-CB 3.92Å; W242-C330 HydrophobicContact CZ3-CB 3.84Å; C330-T353 PolarHBondContact O-N 2.75Å; C330-T353 PolarHBondContact O-OG1 3.44Å; C330-N354 HydrophobicContact CB-CB 4.07Å; C330-N354 PolarHBondContact N-O 2.88Å
331	W	84.1	Confident	69.7	Low	4 Å²	4	61.5 Å²	61.5	2%	0.015	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	135.1	178.5	-72.3	90.6	0	0	0	110.8	I240 G241 T253 K254 E257 Q329 R350 W351 L352	I240-W331 CarbonylContact C-O 3.58Å; I240-W331 WeakPolarHBondContact CA-O 3.33Å; G241-W331 PolarHBondContact N-O 2.74Å; G241-W331 PolarHBondContact O-N 3.08Å; T253-W331 HydrophobicContact CG2-CZ2 4.21Å; K254-W331 WeakPolarHBondContact O-CH2 3.49Å; E257-W331 HydrophobicContact CG-CH2 4.1Å; E257-W331 HydrophobicContact CG-CZ3 4.32Å; Q329-W331 VanDerWaalsContact CB-NE1 3.29Å; W331-R350 HydrophobicContact CE3-CB 3.71Å; W331-R350 HydrophobicContact CZ3-CB 3.98Å; W331-W351 CarbonylContact C-O 3.56Å; W331-W351 WeakPolarHBondContact CA-O 3.39Å; W331-L352 HydrophobicContact CD2-CB 4.43Å; W331-L352 HydrophobicContact CD2-CD1 4.3Å; W331-L352 HydrophobicContact CE3-CB 4.23Å; W331-L352 HydrophobicContact CH2-CB 4.01Å; W331-L352 HydrophobicContact CZ2-CB 4.14Å; W331-L352 HydrophobicContact CZ2-CD1 4.09Å; W331-L352 HydrophobicContact CZ3-CB 4.02Å
332	I	80	Confident	68.9	Low	0 Å²	0	65.7 Å²	65.7	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	124.8	162.8	-56.6	176.1	0	0	0	107	A221 F224 L225 W238 S239 I240 R350 W351 T353	A221-I332 HydrophobicContact CB-CD1 3.68Å; A221-I332 HydrophobicContact CB-CG1 4.31Å; F224-I332 HydrophobicContact CB-CD1 4.48Å; F224-I332 HydrophobicContact CD1-CD1 3.38Å; F224-I332 HydrophobicContact CD1-CG2 4.47Å; F224-I332 HydrophobicContact CE1-CB 4.44Å; F224-I332 HydrophobicContact CE1-CD1 3.91Å; F224-I332 HydrophobicContact CE1-CG2 4.01Å; F224-I332 HydrophobicContact CG-CD1 4.25Å; L225-I332 HydrophobicContact CD2-CD1 3.58Å; W238-I332 HydrophobicContact CB-CG2 4.2Å; W238-I332 HydrophobicContact CD2-CG2 4.4Å; W238-I332 HydrophobicContact CE3-CG2 3.73Å; W238-I332 HydrophobicContact CZ3-CG2 4.47Å; S239-I332 CarbonylContact O-C 3.55Å; S239-I332 WeakPolarHBondContact O-CA 3.3Å; I240-I332 HydrophobicContact CG1-CG1 4.32Å; I332-R350 CarbonylContact O-C 3.56Å; I332-R350 VanDerWaalsContact O-CA 3.29Å; I332-R350 WeakPolarHBondContact O-CA 3.28Å; I332-W351 PolarHBondContact N-O 3.48Å; I332-W351 PolarHBondContact O-N 2.9Å; I332-T353 HydrophobicContact CB-CG2 4.44Å; I332-T353 HydrophobicContact CD1-CG2 3.33Å; I332-T353 HydrophobicContact CG1-CG2 3.61Å
333	Q	76.5	Confident	68.1	Low	42 Å²	42	56.5 Å²	56.5	20%	0.196	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	143.5	176.9	68.4	177.4	-0.2	0	0	110	W238 S239 L266 S335 R350	W238-Q333 CarbonylContact C-O 3.58Å; W238-Q333 WeakPolarHBondContact CA-O 3.39Å; S239-Q333 PolarHBondContact N-O 2.85Å; S239-Q333 PolarHBondContact O-N 2.85Å; S239-Q333 WeakPolarHBondContact OG-CG 3.17Å; S239-Q333 PolarHBondContact OG-NE2 3.32Å; S239-Q333 PolarHBondContact OG-O 2.8Å; L266-Q333 HydrophobicContact CD1-CG 4.3Å; L266-Q333 VanDerWaalsContact CD1-NE2 3.28Å; L266-Q333 VanDerWaalsContact CD1-OE1 3.29Å; Q333-S335 PolarHBondContact O-N 3.16Å; Q333-R350 HydrophobicContact CB-CB 4.37Å; Q333-R350 HydrophobicContact CB-CG 3.68Å
334	R	73.2	Confident	67.4	Low	53 Å²	53	58.4 Å²	58.4	20%	0.2	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	125.6	168.6	-168.3	177.1	175.9	164	-2.4	109.7	F237 W238 I346 I349	F237-R334 CarbonylContact O-C 3.6Å; F237-R334 VanDerWaalsContact O-CA 3.3Å; F237-R334 WeakPolarHBondContact O-CA 3.42Å; F237-R334 WeakPolarHBondContact O-CG 2.97Å; W238-R334 HydrophobicContact CD2-CB 4.35Å; W238-R334 HydrophobicContact CE3-CB 3.86Å; W238-R334 HydrophobicContact CE3-CG 4.5Å; W238-R334 HydrophobicContact CH2-CB 4.15Å; W238-R334 HydrophobicContact CZ3-CB 3.75Å; R334-I346 VanDerWaalsContact NH2-CD1 3.29Å; R334-I349 PolarHBondContact N-O 3.4Å
335	S	65.4	Low	66.6	Low	23 Å²	23	58.1 Å²	58.1	16%	0.161	30%	0.301	C	S	.	.			trans	-74	130.3	171.6	56.7	0	0	0	0	109.6	F237 Q333	F237-S335 VanDerWaalsContact CA-OG 3.3Å; F237-S335 WeakPolarHBondContact CA-OG 3.43Å; F237-S335 PolarHBondContact O-N 2.89Å; F237-S335 PolarHBondContact O-OG 2.81Å; F237-S335 VanDerWaalsContact O-OG 3.05Å; Q333-S335 PolarHBondContact O-N 3.16Å
336	I	60	Low	65.8	Low	50 Å²	50	59.4 Å²	59.4	26%	0.256	30%	0.304	S	S	.	.			trans	-92	115.5	164	-65.3	-177.9	0	0	0	106.3	K338 H348	I336-K338 PolarHBondContact O-N 3.01Å; I336-H348 VanDerWaalsContact CD1-CD2 3.49Å; I336-H348 WeakPolarHBondContact CD1-CD2 3.07Å; I336-H348 WeakPolarHBondContact CD1-CE1 3.36Å; I336-H348 WeakPolarHBondContact CD1-ND1 3.42Å; I336-H348 WeakPolarHBondContact CD1-NE2 3.4Å; I336-H348 WeakPolarHBondContact CG1-CE1 3.3Å
337	H	56.1	Low	65.1	Low	92 Å²	92	62 Å²	62	43%	0.426	32%	0.32	S	S	.	.			trans	-83.2	107	167.7	-76.6	-37.7	0	0	0	107.4	N339 D340 T343	H337-N339 PolarHBondContact O-N 3.36Å; H337-D340 HydrophobicContact CB-CB 3.82Å; H337-D340 PolarHBondContact O-N 2.79Å; H337-T343 PolarHBondContact N-OG1 3.39Å; H337-T343 VanDerWaalsContact N-OG1 3.12Å; H337-T343 PolarHBondContact O-OG1 2.81Å
338	K	54.1	Low	64.7	Low	191 Å²	191	64.2 Å²	64.2	83%	0.83	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	-21.2	179.6	-72.2	-175	175.9	-177.7	0	114.5	I336	I336-K338 PolarHBondContact O-N 3.01Å
339	N	54.2	Low	64.3	Low	165 Å²	165	65.1 Å²	65.1	88%	0.882	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	-0.5	-178.1	-67.2	0.5	0	0	0	114.1	H337	H337-N339 PolarHBondContact O-N 3.36Å
340	D	49.9	Very low	64	Low	62 Å²	62	66 Å²	66	33%	0.332	34%	0.338	S	S	.	.			trans	-112.7	111.6	-175.3	-152.4	-6.4	0	0	0	110.2	H337 F342 T343	H337-D340 HydrophobicContact CB-CB 3.82Å; H337-D340 PolarHBondContact O-N 2.79Å; D340-F342 PolarHBondContact O-N 2.88Å; D340-F342 VanDerWaalsContact O-N 3.1Å; D340-T343 HydrophobicContact CB-CG2 4.35Å; D340-T343 PolarHBondContact O-N 3.49Å; D340-T343 PolarHBondContact O-OG1 3.03Å
341	S	51	Low	64	Low	92 Å²	92	67 Å²	67	64%	0.643	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-22.7	-174.3	55.9	0	0	0	0	113.1	T343 T344	S341-T343 PolarHBondContact O-N 2.84Å; S341-T344 PolarHBondContact O-OG1 2.99Å
342	F	49.8	Very low	64.1	Low	171 Å²	171	67.2 Å²	67.2	75%	0.75	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-12	175.1	-91.2	-82.3	0	0	0	114.4	D340	D340-F342 PolarHBondContact O-N 2.88Å; D340-F342 VanDerWaalsContact O-N 3.1Å
343	T	51.2	Low	64.2	Low	2 Å²	2	67.3 Å²	67.3	1%	0.012	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-15.3	-174.6	68.5	0	0	0	0	114.7	F237 H337 D340 S341	F237-T343 HydrophobicContact CD1-CG2 3.73Å; F237-T343 HydrophobicContact CE1-CG2 3.62Å; H337-T343 PolarHBondContact N-OG1 3.39Å; H337-T343 VanDerWaalsContact N-OG1 3.12Å; H337-T343 PolarHBondContact O-OG1 2.81Å; D340-T343 HydrophobicContact CB-CG2 4.35Å; D340-T343 PolarHBondContact O-N 3.49Å; D340-T343 PolarHBondContact O-OG1 3.03Å; S341-T343 PolarHBondContact O-N 2.84Å
344	T	53.4	Low	64.6	Low	75 Å²	75	66 Å²	66	46%	0.46	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-29.3	-175.3	50.1	0	0	0	0	113.7	S341	S341-T344 PolarHBondContact O-OG1 2.99Å
345	D	53.8	Low	65.2	Low	143 Å²	143	64.6 Å²	64.6	77%	0.765	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-2.4	-171.3	-61.9	-6.7	0	0	0	113.3
346	I	59.1	Low	65.9	Low	60 Å²	60	64 Å²	64	31%	0.308	33%	0.329	S	S	.	.	S	Bend	trans	-108.4	127.1	-177.1	-58	169.3	0	0	0	108.4	R334	R334-I346 VanDerWaalsContact NH2-CD1 3.29Å
347	P	63.9	Low	66.9	Low	59 Å²	59	63 Å²	63	38%	0.383	32%	0.323	S	S	.	.			trans	-56.3	150.1	179.8	22.5	-34	0	0	0	111.2	I349	P347-I349 WeakPolarHBondContact O-CG1 3.34Å; P347-I349 PolarHBondContact O-N 3.38Å; P347-I349 VanDerWaalsContact O-N 3.13Å
348	H	70.7	Confident	67.9	Low	57 Å²	57	58.8 Å²	58.8	26%	0.264	30%	0.304	S	S	.	.			trans	-60.2	118	167.9	-81.6	-64.9	0	0	0	109.3	N259 I336	N259-H348 PolarHBondContact N-O 2.95Å; N259-H348 VanDerWaalsContact N-O 3.08Å; N259-H348 WeakPolarHBondContact O-CB 3.47Å; I336-H348 VanDerWaalsContact CD1-CD2 3.49Å; I336-H348 WeakPolarHBondContact CD1-CD2 3.07Å; I336-H348 WeakPolarHBondContact CD1-CE1 3.36Å; I336-H348 WeakPolarHBondContact CD1-ND1 3.42Å; I336-H348 WeakPolarHBondContact CD1-NE2 3.4Å; I336-H348 WeakPolarHBondContact CG1-CE1 3.3Å
349	I	74.8	Confident	69.2	Low	27 Å²	27	52.9 Å²	52.9	14%	0.138	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	131.9	175.2	-50	175.2	0	0	0	108.6	V256 E257 M258 R334 P347 W351	V256-I349 HydrophobicContact CG1-CG2 4.11Å; E257-I349 WeakPolarHBondContact O-CA 3.39Å; M258-I349 HydrophobicContact CG-CG1 4.28Å; M258-I349 HydrophobicContact CG-CG2 4.22Å; R334-I349 PolarHBondContact N-O 3.4Å; P347-I349 WeakPolarHBondContact O-CG1 3.34Å; P347-I349 PolarHBondContact O-N 3.38Å; P347-I349 VanDerWaalsContact O-N 3.13Å; I349-W351 HydrophobicContact CG2-CD2 4.49Å; I349-W351 HydrophobicContact CG2-CZ2 3.71Å; I349-W351 VanDerWaalsContact CG2-NE1 3.27Å
350	R	78.7	Confident	70.1	Confident	19 Å²	19	46.2 Å²	46.2	7%	0.072	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	147.9	174	-49.9	-166.6	-176.3	130.2	13.7	111.6	V256 E257 S262 W331 I332 Q333	V256-R350 WeakPolarHBondContact CA-O 2.87Å; E257-R350 HydrophobicContact CB-CB 4.5Å; E257-R350 PolarHBondContact N-O 2.94Å; E257-R350 PolarHBondContact O-N 2.85Å; S262-R350 VanDerWaalsContact O-CZ 3.24Å; S262-R350 PolarHBondContact O-NH1 2.87Å; S262-R350 PolarHBondContact O-NH2 3.31Å; S262-R350 PolarHBondContact OG-NH1 2.74Å; S262-R350 PolarHBondContact OG-NH2 2.87Å; W331-R350 HydrophobicContact CE3-CB 3.71Å; W331-R350 HydrophobicContact CZ3-CB 3.98Å; I332-R350 CarbonylContact O-C 3.56Å; I332-R350 VanDerWaalsContact O-CA 3.29Å; I332-R350 WeakPolarHBondContact O-CA 3.28Å; Q333-R350 HydrophobicContact CB-CB 4.37Å; Q333-R350 HydrophobicContact CB-CG 3.68Å
351	W	84.7	Confident	71.2	Confident	21 Å²	21	45.1 Å²	45.1	8%	0.08	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	125	-173.2	-50.8	78.2	0	0	0	109.2	P38 Y40 M165 F224 W238 V256 W331 I332 I349	P38-W351 HydrophobicContact CB-CE3 4.47Å; P38-W351 HydrophobicContact CB-CZ3 3.72Å; P38-W351 HydrophobicContact CG-CE3 4.24Å; P38-W351 HydrophobicContact CG-CH2 3.78Å; P38-W351 HydrophobicContact CG-CZ3 3.35Å; Y40-W351 HydrophobicContact CD1-CZ3 4.49Å; Y40-W351 AromaticContact CE1-CE3 3.52Å; Y40-W351 HydrophobicContact CE1-CE3 3.52Å; Y40-W351 HydrophobicContact CE1-CH2 4.2Å; Y40-W351 AromaticContact CE1-CZ3 3.18Å; Y40-W351 HydrophobicContact CE1-CZ3 3.18Å; Y40-W351 AromaticContact CZ-CH2 3.87Å; Y40-W351 AromaticContact CZ-CZ3 3.3Å; Y40-W351 WeakPolarHBondContact OH-CH2 3.22Å; Y40-W351 WeakPolarHBondContact OH-CZ3 3.27Å; M165-W351 HydrophobicContact CE-CB 4.21Å; M165-W351 HydrophobicContact CE-CD2 4.23Å; M165-W351 HydrophobicContact CE-CE3 3.5Å; M165-W351 HydrophobicContact CE-CZ3 4.14Å; M165-W351 HydrophobicContact SD-CB 4.26Å; M165-W351 HydrophobicContact SD-CE3 3.59Å; M165-W351 VanDerWaalsContact SD-CE3 3.59Å; M165-W351 HydrophobicContact SD-CZ3 4.35Å; F224-W351 HydrophobicContact CE2-CD2 4.28Å; F224-W351 HydrophobicContact CE2-CE3 4.21Å; F224-W351 HydrophobicContact CE2-CZ3 4.37Å; F224-W351 HydrophobicContact CZ-CD2 4.05Å; F224-W351 HydrophobicContact CZ-CE3 4.44Å; F224-W351 HydrophobicContact CZ-CG 4.13Å; W238-W351 AromaticContact CH2-NE1 3.52Å; W238-W351 AromaticContact CZ3-CD1 3.6Å; W238-W351 AromaticContact CZ3-NE1 3.34Å; W238-W351 VanDerWaalsContact CZ3-NE1 3.34Å; V256-W351 HydrophobicContact CG2-CD2 3.86Å; V256-W351 HydrophobicContact CG2-CE3 3.36Å; V256-W351 HydrophobicContact CG2-CZ3 3.82Å; W331-W351 CarbonylContact C-O 3.56Å; W331-W351 WeakPolarHBondContact CA-O 3.39Å; I332-W351 PolarHBondContact N-O 3.48Å; I332-W351 PolarHBondContact O-N 2.9Å; I349-W351 HydrophobicContact CG2-CD2 4.49Å; I349-W351 HydrophobicContact CG2-CZ2 3.71Å; I349-W351 VanDerWaalsContact CG2-NE1 3.27Å
352	L	85.3	Confident	72	Confident	7 Å²	7	44 Å²	44	4%	0.037	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	130	169.7	-177	71	0	0	0	108.6	R167 V255 Q329 W331	R167-L352 HydrophobicContact CB-CD2 4.22Å; R167-L352 VanDerWaalsContact CD-CD2 3.46Å; R167-L352 HydrophobicContact CG-CD2 3.79Å; V255-L352 PolarHBondContact O-N 2.85Å; Q329-L352 HydrophobicContact CB-CD1 3.61Å; Q329-L352 HydrophobicContact CG-CD1 3.92Å; W331-L352 HydrophobicContact CD2-CB 4.43Å; W331-L352 HydrophobicContact CD2-CD1 4.3Å; W331-L352 HydrophobicContact CE3-CB 4.23Å; W331-L352 HydrophobicContact CH2-CB 4.01Å; W331-L352 HydrophobicContact CZ2-CB 4.14Å; W331-L352 HydrophobicContact CZ2-CD1 4.09Å; W331-L352 HydrophobicContact CZ3-CB 4.02Å
353	T	82.9	Confident	72.6	Confident	2 Å²	2	40.5 Å²	40.5	1%	0.012	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	-27.7	-179.1	54.2	0	0	0	0	114	G135 I136 C219 C330 I332	G135-T353 WeakPolarHBondContact CA-O 3.38Å; I136-T353 HydrophobicContact CD1-CG2 3.6Å; I136-T353 HydrophobicContact CG1-CG2 4.37Å; C219-T353 PolarHBondContact SG-OG1 2.7Å; C330-T353 PolarHBondContact O-N 2.75Å; C330-T353 PolarHBondContact O-OG1 3.44Å; I332-T353 HydrophobicContact CB-CG2 4.44Å; I332-T353 HydrophobicContact CD1-CG2 3.33Å; I332-T353 HydrophobicContact CG1-CG2 3.61Å
354	N	84.7	Confident	72.9	Confident	16 Å²	16	48.1 Å²	48.1	9%	0.086	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	152.5	179.3	-162.1	8.1	0	0	0	109.7	P218 N220 Q329 C330	P218-N354 PolarHBondContact O-ND2 3.26Å; N220-N354 PolarHBondContact ND2-ND2 3.4Å; Q329-N354 CarbonylContact C-O 3.54Å; Q329-N354 WeakPolarHBondContact CA-O 3.45Å; C330-N354 HydrophobicContact CB-CB 4.07Å; C330-N354 PolarHBondContact N-O 2.88Å
355	E	84.7	Confident	72.8	Confident	22 Å²	22	52.5 Å²	52.5	10%	0.103	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	134.5	172.6	-170.4	169.7	137.4	0	0	109.6	V134 R167 A327 W328 Q329 H357	V134-E355 HydrophobicContact CG1-CB 4.03Å; R167-E355 IonicContact CZ-OE2 3.78Å; R167-E355 IonicContact NE-OE2 3.6Å; R167-E355 IonicContact NH2-OE2 2.85Å; R167-E355 PolarHBondContact NH2-OE2 3.41Å; A327-E355 HydrophobicContact CB-CG 4.25Å; W328-E355 CarbonylContact O-C 3.59Å; W328-E355 WeakPolarHBondContact O-CA 3.47Å; Q329-E355 HydrophobicContact CG-CG 4.02Å; Q329-E355 PolarHBondContact NE2-OE2 2.88Å; Q329-E355 VanDerWaalsContact NE2-OE2 3.16Å; E355-H357 IonicContact OE1-CE1 3.22Å; E355-H357 PolarHBondContact OE1-CE1 2Å; E355-H357 IonicContact OE1-NE2 2.6Å; E355-H357 PolarHBondContact OE1-NE2 2.86Å
356	V	81.8	Confident	72.6	Confident	11 Å²	11	46.7 Å²	46.7	7%	0.067	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	120.8	-176.4	178.6	0	0	0	0	109	F200 F215 A217 W242 W328 V358	F200-V356 HydrophobicContact CD2-CG1 3.56Å; F200-V356 HydrophobicContact CE2-CG1 3.7Å; F215-V356 HydrophobicContact CE1-CG1 3.8Å; F215-V356 HydrophobicContact CZ-CG1 3.65Å; A217-V356 HydrophobicContact CB-CG1 4.37Å; A217-V356 HydrophobicContact CB-CG2 4.13Å; W242-V356 HydrophobicContact CH2-CG2 4.02Å; W242-V356 HydrophobicContact CZ3-CB 4.47Å; W242-V356 HydrophobicContact CZ3-CG2 4.15Å; W328-V356 PolarHBondContact N-O 3.23Å; W328-V356 PolarHBondContact O-N 3.45Å; V356-V358 HydrophobicContact CG1-CG2 4.1Å
357	H	80.3	Confident	72.4	Confident	30 Å²	30	46.7 Å²	46.7	14%	0.139	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	126.4	177.2	-60.2	-91.9	0	0	0	110.6	R199 F200 E355	R199-H357 WeakPolarHBondContact CA-O 3.47Å; R199-H357 HydrophobicContact CG-CB 3.79Å; F200-H357 PolarHBondContact N-O 3.2Å; E355-H357 IonicContact OE1-CE1 3.22Å; E355-H357 PolarHBondContact OE1-CE1 2Å; E355-H357 IonicContact OE1-NE2 2.6Å; E355-H357 PolarHBondContact OE1-NE2 2.86Å
358	V	77.8	Confident	71.9	Confident	3 Å²	3	50 Å²	50	2%	0.018	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	123.2	-179.3	-178.9	0	0	0	0	109.6	F200 V202 F215 L317 S325 G326 V356 I360	F200-V358 HydrophobicContact CB-CG2 4.47Å; F200-V358 WeakPolarHBondContact O-CA 3.27Å; V202-V358 HydrophobicContact CB-CG1 4.06Å; V202-V358 HydrophobicContact CG2-CG1 3.55Å; F215-V358 HydrophobicContact CD1-CG2 3.94Å; F215-V358 HydrophobicContact CE1-CG2 3.62Å; F215-V358 HydrophobicContact CZ-CG2 4.18Å; L317-V358 HydrophobicContact CD1-CB 4.44Å; L317-V358 HydrophobicContact CD1-CG1 3.8Å; L317-V358 HydrophobicContact CD1-CG2 4.22Å; S325-V358 WeakPolarHBondContact CA-O 3.25Å; G326-V358 PolarHBondContact N-O 3.44Å; G326-V358 PolarHBondContact O-N 2.78Å; V356-V358 HydrophobicContact CG1-CG2 4.1Å; V358-I360 HydrophobicContact CG1-CG1 4.05Å
359	K	79.6	Confident	71.2	Confident	67 Å²	67	52.4 Å²	52.4	29%	0.291	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	111.6	171.1	-170.3	175.3	-175	177.6	0	107.9	E196 R199 F200 N201 V202 I361	E196-K359 IonicContact OE1-NZ 2.82Å; E196-K359 PolarHBondContact OE1-NZ 3.39Å; R199-K359 HydrophobicContact CB-CB 4.05Å; R199-K359 HydrophobicContact CG-CB 4.46Å; F200-K359 PolarHBondContact O-N 3.05Å; N201-K359 WeakPolarHBondContact CA-O 3.49Å; V202-K359 PolarHBondContact N-O 3.45Å; K359-I361 HydrophobicContact CG-CG1 4.4Å
360	I	74.8	Confident	70.6	Confident	25 Å²	25	55.2 Å²	55.2	13%	0.128	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	119.4	177.7	-60.4	-180	0	0	0	108.5	V202 Y204 Q323 K324 S325 V358	V202-I360 WeakPolarHBondContact O-CA 3.29Å; Y204-I360 HydrophobicContact CD2-CG2 4.44Å; Q323-I360 VanDerWaalsContact C-CD1 3.43Å; Q323-I360 HydrophobicContact CB-CD1 3.28Å; Q323-I360 WeakPolarHBondContact O-CD1 3.48Å; K324-I360 WeakPolarHBondContact O-CD1 3.36Å; S325-I360 PolarHBondContact OG-N 2.92Å; V358-I360 HydrophobicContact CG1-CG1 4.05Å
361	I	72.5	Confident	70.1	Confident	39 Å²	39	58.9 Å²	58.9	20%	0.2	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	116.8	179.5	-57.3	174.7	0	0	0	108	N201 V202 Y203 Y204 K359 R363 T366	N201-I361 HydrophobicContact CB-CD1 3.98Å; V202-I361 PolarHBondContact O-N 3.05Å; Y203-I361 WeakPolarHBondContact CA-O 3.47Å; Y203-I361 HydrophobicContact CD1-CB 3.86Å; Y203-I361 HydrophobicContact CD1-CD1 4.38Å; Y203-I361 HydrophobicContact CD1-CG2 4.01Å; Y203-I361 HydrophobicContact CE1-CB 4.04Å; Y203-I361 HydrophobicContact CE1-CD1 3.73Å; Y203-I361 HydrophobicContact CE1-CG1 4.46Å; Y203-I361 HydrophobicContact CE1-CG2 4.05Å; Y204-I361 PolarHBondContact N-O 3.3Å; K359-I361 HydrophobicContact CG-CG1 4.4Å; I361-R363 PolarHBondContact O-N 3.24Å; I361-T366 HydrophobicContact CG2-CG2 4.48Å
362	P	66.6	Low	69.6	Low	68 Å²	68	62 Å²	62	44%	0.442	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	124	173.5	25.8	-29.9	0	0	0	109.8	K364 Y365	P362-K364 PolarHBondContact O-N 3.1Å; P362-Y365 HydrophobicContact CG-CD2 4.1Å; P362-Y365 HydrophobicContact CG-CE2 4.18Å; P362-Y365 PolarHBondContact O-N 2.89Å
363	R	62.3	Low	69.1	Low	97 Å²	97	65.4 Å²	65.4	37%	0.366	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-5.6	-176.7	-155.4	-177.9	-176.1	179.7	-1.3	114.5	Y204 T206 I361 Y365 T366 S367 E370	Y204-R363 WeakPolarHBondContact O-CB 3.01Å; Y204-R363 PolarHBondContact O-N 2.75Å; Y204-R363 VanDerWaalsContact O-N 3.16Å; T206-R363 HydrophobicContact CG2-CB 4.29Å; I361-R363 PolarHBondContact O-N 3.24Å; R363-Y365 PolarHBondContact O-N 2.84Å; R363-T366 HydrophobicContact CG-CG2 4.37Å; R363-T366 WeakPolarHBondContact CG-OG1 3.28Å; R363-T366 PolarHBondContact O-N 2.91Å; R363-S367 PolarHBondContact O-N 3Å; R363-E370 IonicContact NE-OE1 3.86Å; R363-E370 IonicContact NH2-OE1 3.59Å; R363-E370 IonicContact NH2-OE2 3.23Å; R363-E370 PolarHBondContact NH2-OE2 3.22Å
364	K	57.6	Low	68.8	Low	163 Å²	163	69.6 Å²	69.6	71%	0.709	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-27.2	174.5	-152.2	-178.4	-176.8	-172.8	0	112.5	T206 P362	T206-K364 HydrophobicContact CG2-CB 4.4Å; P362-K364 PolarHBondContact O-N 3.1Å
365	Y	51.3	Low	68.6	Low	167 Å²	167	73.4 Å²	73.4	66%	0.655	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-23.6	176.8	-62.6	-74.1	0	0	0	114.2	P362 R363 L369	P362-Y365 HydrophobicContact CG-CD2 4.1Å; P362-Y365 HydrophobicContact CG-CE2 4.18Å; P362-Y365 PolarHBondContact O-N 2.89Å; R363-Y365 PolarHBondContact O-N 2.84Å; Y365-L369 PolarHBondContact O-N 2.93Å
366	T	51.2	Low	68.3	Low	20 Å²	20	80.5 Å²	80.5	12%	0.123	39%	0.387	C	S	.	.	H	α-helix	trans	-82.6	-27.1	-177.4	84.7	0	0	0	0	112.7	Y203 I361 R363 Q368 L369 E370	Y203-T366 HydrophobicContact CD1-CG2 3.89Å; Y203-T366 HydrophobicContact CE1-CG2 3.93Å; I361-T366 HydrophobicContact CG2-CG2 4.48Å; R363-T366 HydrophobicContact CG-CG2 4.37Å; R363-T366 WeakPolarHBondContact CG-OG1 3.28Å; R363-T366 PolarHBondContact O-N 2.91Å; T366-Q368 VanDerWaalsContact C-N 3.26Å; T366-Q368 PolarHBondContact O-N 3.24Å; T366-L369 PolarHBondContact O-N 2.88Å; T366-E370 WeakPolarHBondContact CB-OE1 3.16Å; T366-E370 WeakPolarHBondContact O-CA 3.09Å; T366-E370 WeakPolarHBondContact O-CB 3.38Å; T366-E370 VanDerWaalsContact O-CG 3.27Å; T366-E370 WeakPolarHBondContact O-CG 3.48Å; T366-E370 PolarHBondContact O-N 2.91Å; T366-E370 PolarHBondContact OG1-OE1 3.44Å
367	S	53.3	Low	68.2	Low	60 Å²	60	87.4 Å²	87.4	42%	0.42	41%	0.412	S	S	.	.	H	α-helix	trans	-62.1	-38	175.9	63.5	0	0	0	0	111.6	R363 V371	R363-S367 PolarHBondContact O-N 3Å; S367-V371 WeakPolarHBondContact O-CB 3.46Å; S367-V371 WeakPolarHBondContact O-CG2 3.05Å; S367-V371 PolarHBondContact O-N 2.94Å
368	Q	54.4	Low	68.3	Low	130 Å²	130	90.5 Å²	90.5	61%	0.607	43%	0.428	S	S	*	.	H	α-helix	trans	-68.9	-45.3	173.9	-71.5	-175	-25.7	0	0	111.6	T366 V371 I372	T366-Q368 VanDerWaalsContact C-N 3.26Å; T366-Q368 PolarHBondContact O-N 3.24Å; Q368-V371 PolarHBondContact O-N 3.43Å; Q368-I372 WeakPolarHBondContact O-CB 3.08Å; Q368-I372 WeakPolarHBondContact O-CD1 3.39Å; Q368-I372 WeakPolarHBondContact O-CG1 3.29Å; Q368-I372 PolarHBondContact O-N 2.89Å
369	L	56.7	Low	68.5	Low	106 Å²	106	93.5 Å²	93.5	56%	0.555	44%	0.444	S	S	*	.	H	α-helix	trans	-69.5	-41.8	-178.3	-152	104.6	0	0	0	112.7	Y365 T366 I372 I373	Y365-L369 PolarHBondContact O-N 2.93Å; T366-L369 PolarHBondContact O-N 2.88Å; L369-I372 PolarHBondContact O-N 3.23Å; L369-I373 HydrophobicContact CD2-CD1 3.67Å; L369-I373 HydrophobicContact CG-CD1 4.15Å; L369-I373 WeakPolarHBondContact O-CB 3.48Å; L369-I373 WeakPolarHBondContact O-CG1 3.43Å; L369-I373 PolarHBondContact O-N 3.48Å
370	E	60.7	Low	68.6	Low	87 Å²	87	93.2 Å²	93.2	41%	0.407	45%	0.453	S	S	.	.	H	α-helix	trans	-60.7	-44.6	172.9	-75	166.9	-144.3	0	0	110	R363 T366 I373 E374	R363-E370 IonicContact NE-OE1 3.86Å; R363-E370 IonicContact NH2-OE1 3.59Å; R363-E370 IonicContact NH2-OE2 3.23Å; R363-E370 PolarHBondContact NH2-OE2 3.22Å; T366-E370 WeakPolarHBondContact CB-OE1 3.16Å; T366-E370 WeakPolarHBondContact O-CA 3.09Å; T366-E370 WeakPolarHBondContact O-CB 3.38Å; T366-E370 VanDerWaalsContact O-CG 3.27Å; T366-E370 WeakPolarHBondContact O-CG 3.48Å; T366-E370 PolarHBondContact O-N 2.91Å; T366-E370 PolarHBondContact OG1-OE1 3.44Å; E370-I373 PolarHBondContact O-N 2.86Å; E370-E374 VanDerWaalsContact O-CB 3.26Å; E370-E374 WeakPolarHBondContact O-CB 3.26Å; E370-E374 VanDerWaalsContact O-CG 3.32Å; E370-E374 WeakPolarHBondContact O-CG 3.45Å; E370-E374 PolarHBondContact O-N 3.34Å
371	V	68.2	Low	69	Low	96 Å²	96	98.5 Å²	98.5	58%	0.582	48%	0.481	S	S	*	.	H	α-helix	trans	-64.7	-40.1	175.3	169.6	0	0	0	0	111.3	S367 Q368 L375	S367-V371 WeakPolarHBondContact O-CB 3.46Å; S367-V371 WeakPolarHBondContact O-CG2 3.05Å; S367-V371 PolarHBondContact O-N 2.94Å; Q368-V371 PolarHBondContact O-N 3.43Å; V371-L375 WeakPolarHBondContact O-CB 3.44Å; V371-L375 PolarHBondContact O-N 3.44Å
372	I	74.5	Confident	69.6	Low	86 Å²	86	101.1 Å²	101.1	44%	0.441	50%	0.495	S	S	.	.	H	α-helix	trans	-66.2	-43.9	176.5	-71.2	162.2	0	0	0	110.7	Q368 L369 L375 W376	Q368-I372 WeakPolarHBondContact O-CB 3.08Å; Q368-I372 WeakPolarHBondContact O-CD1 3.39Å; Q368-I372 WeakPolarHBondContact O-CG1 3.29Å; Q368-I372 PolarHBondContact O-N 2.89Å; L369-I372 PolarHBondContact O-N 3.23Å; I372-L375 PolarHBondContact O-N 3.1Å; I372-W376 WeakPolarHBondContact O-CB 3.26Å; I372-W376 PolarHBondContact O-N 3.45Å
373	I	74.6	Confident	70.4	Confident	78 Å²	78	102 Å²	102	40%	0.4	49%	0.494	S	S	.	.	H	α-helix	trans	-65.9	-44.8	178.2	-70.1	165.7	0	0	0	110.6	L369 E370 L375 W376 R377	L369-I373 HydrophobicContact CD2-CD1 3.67Å; L369-I373 HydrophobicContact CG-CD1 4.15Å; L369-I373 WeakPolarHBondContact O-CB 3.48Å; L369-I373 WeakPolarHBondContact O-CG1 3.43Å; L369-I373 PolarHBondContact O-N 3.48Å; E370-I373 PolarHBondContact O-N 2.86Å; I373-L375 VanDerWaalsContact C-N 3.34Å; I373-W376 PolarHBondContact O-N 2.88Å; I373-R377 WeakPolarHBondContact O-CG 3.23Å; I373-R377 PolarHBondContact O-N 2.88Å
374	E	76.3	Confident	71.4	Confident	91 Å²	91	99.8 Å²	99.8	43%	0.425	50%	0.496	S	S	.	.	H	α-helix	trans	-66.5	-36.8	175.8	-73.7	-61.7	143.2	0	0	111.3	E370 R377 I378	E370-E374 VanDerWaalsContact O-CB 3.26Å; E370-E374 WeakPolarHBondContact O-CB 3.26Å; E370-E374 VanDerWaalsContact O-CG 3.32Å; E370-E374 WeakPolarHBondContact O-CG 3.45Å; E370-E374 PolarHBondContact O-N 3.34Å; E374-R377 PolarHBondContact O-N 3.28Å; E374-R377 IonicContact OE1-CZ 2.8Å; E374-R377 IonicContact OE1-NH1 3.87Å; E374-R377 PolarHBondContact OE1-NH1 2.92Å; E374-I378 WeakPolarHBondContact O-CB 3.48Å; E374-I378 VanDerWaalsContact O-CG1 3.22Å; E374-I378 WeakPolarHBondContact O-CG1 3.25Å; E374-I378 PolarHBondContact O-N 3.39Å
375	L	81.1	Confident	72.7	Confident	96 Å²	96	95.7 Å²	95.7	50%	0.503	49%	0.486	S	S	.	.	H	α-helix	trans	-62.4	-43.6	171.4	-172.7	114.7	0	0	0	111	V371 I372 I373 I378 I379	V371-L375 WeakPolarHBondContact O-CB 3.44Å; V371-L375 PolarHBondContact O-N 3.44Å; I372-L375 PolarHBondContact O-N 3.1Å; I373-L375 VanDerWaalsContact C-N 3.34Å; L375-I378 PolarHBondContact O-N 3.38Å; L375-I379 HydrophobicContact CD2-CD1 3.62Å; L375-I379 HydrophobicContact CG-CD1 4.01Å; L375-I379 WeakPolarHBondContact O-CB 3.49Å; L375-I379 WeakPolarHBondContact O-CG1 3.46Å; L375-I379 PolarHBondContact O-N 2.83Å
376	W	78.6	Confident	74.4	Confident	170 Å²	170	91.6 Å²	91.6	64%	0.644	48%	0.475	S	S	*	.	H	α-helix	trans	-63.5	-38.9	173.7	-88.8	110.2	0	0	0	112.6	I372 I373 I379 A380	I372-W376 WeakPolarHBondContact O-CB 3.26Å; I372-W376 PolarHBondContact O-N 3.45Å; I373-W376 PolarHBondContact O-N 2.88Å; W376-I379 PolarHBondContact O-N 3.04Å; W376-A380 VanDerWaalsContact O-CB 3.31Å; W376-A380 WeakPolarHBondContact O-CB 3.44Å; W376-A380 PolarHBondContact O-N 3.18Å
377	R	79.1	Confident	76	Confident	157 Å²	157	94.5 Å²	94.5	59%	0.592	49%	0.49	S	S	*	.	H	α-helix	trans	-63	-43.3	173.4	-76.8	174.6	171.7	-173.8	-5.9	111.4	I373 E374 A380 L381	I373-R377 WeakPolarHBondContact O-CG 3.23Å; I373-R377 PolarHBondContact O-N 2.88Å; E374-R377 PolarHBondContact O-N 3.28Å; E374-R377 IonicContact OE1-CZ 2.8Å; E374-R377 IonicContact OE1-NH1 3.87Å; E374-R377 PolarHBondContact OE1-NH1 2.92Å; R377-A380 PolarHBondContact O-N 3.08Å; R377-L381 WeakPolarHBondContact O-CB 3.23Å; R377-L381 PolarHBondContact O-N 2.68Å
378	I	83.1	Confident	77.5	Confident	95 Å²	95	97.4 Å²	97.4	49%	0.487	50%	0.5	S	S	.	.	H	α-helix	trans	-65.1	-44.3	176.2	-68.4	164.1	0	0	0	110.6	E374 L375 L381 I382	E374-I378 WeakPolarHBondContact O-CB 3.48Å; E374-I378 VanDerWaalsContact O-CG1 3.22Å; E374-I378 WeakPolarHBondContact O-CG1 3.25Å; E374-I378 PolarHBondContact O-N 3.39Å; L375-I378 PolarHBondContact O-N 3.38Å; I378-L381 PolarHBondContact O-N 2.9Å; I378-I382 HydrophobicContact CG2-CD1 3.71Å; I378-I382 HydrophobicContact CG2-CG1 4.44Å; I378-I382 VanDerWaalsContact O-CG1 3.29Å; I378-I382 WeakPolarHBondContact O-CG1 3.5Å; I378-I382 PolarHBondContact O-N 3.03Å
379	I	82.9	Confident	79.2	Confident	66 Å²	66	97.1 Å²	97.1	34%	0.338	50%	0.497	S	S	.	.	H	α-helix	trans	-60.3	-49.2	176	-70.1	164.7	0	0	0	110	L375 W376 L381 I382 M383	L375-I379 HydrophobicContact CD2-CD1 3.62Å; L375-I379 HydrophobicContact CG-CD1 4.01Å; L375-I379 WeakPolarHBondContact O-CB 3.49Å; L375-I379 WeakPolarHBondContact O-CG1 3.46Å; L375-I379 PolarHBondContact O-N 2.83Å; W376-I379 PolarHBondContact O-N 3.04Å; I379-L381 VanDerWaalsContact C-N 3.27Å; I379-L381 PolarHBondContact O-N 3.22Å; I379-I382 PolarHBondContact O-N 3.47Å; I379-I382 VanDerWaalsContact O-N 3.16Å; I379-M383 HydrophobicContact CG2-CG 3.8Å; I379-M383 VanDerWaalsContact O-CB 3.27Å; I379-M383 WeakPolarHBondContact O-CB 2.96Å; I379-M383 WeakPolarHBondContact O-CG 3.4Å; I379-M383 PolarHBondContact O-N 3.16Å
380	A	80.8	Confident	80.7	Confident	60 Å²	60	96 Å²	96	50%	0.496	49%	0.491	S	S	.	.	H	α-helix	trans	-59.7	-39.4	177.5	0	0	0	0	0	111.9	W376 R377 I382 A384	W376-A380 VanDerWaalsContact O-CB 3.31Å; W376-A380 WeakPolarHBondContact O-CB 3.44Å; W376-A380 PolarHBondContact O-N 3.18Å; R377-A380 PolarHBondContact O-N 3.08Å; A380-I382 VanDerWaalsContact C-N 3.34Å; A380-I382 PolarHBondContact O-N 2.93Å; A380-A384 VanDerWaalsContact O-CB 3.28Å; A380-A384 WeakPolarHBondContact O-CB 3.38Å; A380-A384 PolarHBondContact O-N 2.88Å
381	L	84	Confident	82	Confident	136 Å²	136	96.5 Å²	96.5	71%	0.712	50%	0.496	S	S	*	.	H	α-helix	trans	-70.4	-27	178.7	-164.1	125.2	0	0	0	113.3	R377 I378 I379 P385	R377-L381 WeakPolarHBondContact O-CB 3.23Å; R377-L381 PolarHBondContact O-N 2.68Å; I378-L381 PolarHBondContact O-N 2.9Å; I379-L381 VanDerWaalsContact C-N 3.27Å; I379-L381 PolarHBondContact O-N 3.22Å; L381-P385 WeakPolarHBondContact O-CD 3.27Å; L381-P385 VanDerWaalsContact O-CG 3.26Å; L381-P385 WeakPolarHBondContact O-CG 3.49Å
382	I	84.7	Confident	83	Confident	95 Å²	95	98.3 Å²	98.3	49%	0.487	50%	0.496	S	S	.	.	H	α-helix	trans	-86.1	-42.7	174.6	-66.9	167.9	0	0	0	111.3	I378 I379 A380 P385 L386	I378-I382 HydrophobicContact CG2-CD1 3.71Å; I378-I382 HydrophobicContact CG2-CG1 4.44Å; I378-I382 VanDerWaalsContact O-CG1 3.29Å; I378-I382 WeakPolarHBondContact O-CG1 3.5Å; I378-I382 PolarHBondContact O-N 3.03Å; I379-I382 PolarHBondContact O-N 3.47Å; I379-I382 VanDerWaalsContact O-N 3.16Å; A380-I382 VanDerWaalsContact C-N 3.34Å; A380-I382 PolarHBondContact O-N 2.93Å; I382-P385 WeakPolarHBondContact O-CD 3.31Å; I382-L386 HydrophobicContact CG2-CD1 4.39Å; I382-L386 WeakPolarHBondContact O-CB 3.2Å; I382-L386 PolarHBondContact O-N 2.59Å
383	M	84	Confident	83.6	Confident	87 Å²	87	97.3 Å²	97.3	43%	0.429	49%	0.491	S	S	.	.	H	α-helix	trans	-69.7	-39.9	-176	-69.6	-60.4	-63.2	0	0	111.6	I379 L386 D387	I379-M383 HydrophobicContact CG2-CG 3.8Å; I379-M383 VanDerWaalsContact O-CB 3.27Å; I379-M383 WeakPolarHBondContact O-CB 2.96Å; I379-M383 WeakPolarHBondContact O-CG 3.4Å; I379-M383 PolarHBondContact O-N 3.16Å; M383-L386 WeakPolarHBondContact O-CB 3.2Å; M383-L386 PolarHBondContact O-N 2.68Å; M383-D387 WeakPolarHBondContact O-CB 3.39Å; M383-D387 VanDerWaalsContact O-CG 3.31Å; M383-D387 PolarHBondContact O-N 2.75Å
384	A	82.4	Confident	84.3	Confident	50 Å²	50	98.7 Å²	98.7	41%	0.413	50%	0.498	S	S	.	.	H	α-helix	trans	-58.5	-47.6	-179.4	0	0	0	0	0	113.4	A380 L386 I388	A380-A384 VanDerWaalsContact O-CB 3.28Å; A380-A384 WeakPolarHBondContact O-CB 3.38Å; A380-A384 PolarHBondContact O-N 2.88Å; A384-L386 VanDerWaalsContact C-N 3.33Å; A384-L386 PolarHBondContact O-N 3.3Å; A384-I388 WeakPolarHBondContact O-CD1 3.43Å; A384-I388 VanDerWaalsContact O-CG1 3.25Å; A384-I388 WeakPolarHBondContact O-CG1 3.46Å; A384-I388 PolarHBondContact O-N 3.13Å; A384-I388 VanDerWaalsContact O-N 3.1Å
385	P	85.7	Confident	84.9	Confident	76 Å²	76	101.1 Å²	101.1	49%	0.494	51%	0.508	S	S	.	.	H	α-helix	trans	-62.5	-36.1	171.6	-23.3	31.3	0	0	0	114	L381 I382 I388 F389	L381-P385 WeakPolarHBondContact O-CD 3.27Å; L381-P385 VanDerWaalsContact O-CG 3.26Å; L381-P385 WeakPolarHBondContact O-CG 3.49Å; I382-P385 WeakPolarHBondContact O-CD 3.31Å; P385-I388 PolarHBondContact O-N 3.08Å; P385-F389 VanDerWaalsContact O-CB 3.29Å; P385-F389 WeakPolarHBondContact O-CB 3.46Å; P385-F389 PolarHBondContact O-N 2.86Å
386	L	86.4	Confident	85.1	Confident	82 Å²	82	99.6 Å²	99.6	43%	0.429	50%	0.502	S	S	.	.	H	α-helix	trans	-70.4	-38.7	-177.2	-137.8	152	0	0	0	111.1	I382 M383 A384 F389 L390	I382-L386 HydrophobicContact CG2-CD1 4.39Å; I382-L386 WeakPolarHBondContact O-CB 3.2Å; I382-L386 PolarHBondContact O-N 2.59Å; M383-L386 WeakPolarHBondContact O-CB 3.2Å; M383-L386 PolarHBondContact O-N 2.68Å; A384-L386 VanDerWaalsContact C-N 3.33Å; A384-L386 PolarHBondContact O-N 3.3Å; L386-F389 PolarHBondContact O-N 3.06Å; L386-L390 HydrophobicContact CD2-CD1 3.97Å; L386-L390 HydrophobicContact CD2-CG 4.48Å; L386-L390 WeakPolarHBondContact O-CB 3.49Å; L386-L390 PolarHBondContact O-N 2.78Å
387	D	84.6	Confident	85.6	Confident	81 Å²	81	95 Å²	95	43%	0.433	49%	0.493	S	S	.	.	H	α-helix	trans	-67.1	-41.9	173.6	-69.5	-25.1	0	0	0	111.2	M383 F389 L390 L391	M383-D387 WeakPolarHBondContact O-CB 3.39Å; M383-D387 VanDerWaalsContact O-CG 3.31Å; M383-D387 PolarHBondContact O-N 2.75Å; D387-F389 VanDerWaalsContact C-N 3.33Å; D387-F389 PolarHBondContact O-N 2.88Å; D387-L390 PolarHBondContact O-N 2.89Å; D387-L391 WeakPolarHBondContact O-CB 3.13Å; D387-L391 PolarHBondContact O-N 2.79Å
388	I	85.5	Confident	85.8	Confident	120 Å²	120	90.9 Å²	90.9	62%	0.615	49%	0.488	S	S	*	.	H	α-helix	trans	-61.8	-42.3	172.9	-68.3	167.1	0	0	0	110.6	A384 P385 L391 F392	A384-I388 WeakPolarHBondContact O-CD1 3.43Å; A384-I388 VanDerWaalsContact O-CG1 3.25Å; A384-I388 WeakPolarHBondContact O-CG1 3.46Å; A384-I388 PolarHBondContact O-N 3.13Å; A384-I388 VanDerWaalsContact O-N 3.1Å; P385-I388 PolarHBondContact O-N 3.08Å; I388-L391 PolarHBondContact O-N 2.86Å; I388-F392 PolarHBondContact O-N 3.16Å
389	F	88.5	Confident	85.9	Confident	125 Å²	125	96 Å²	96	55%	0.548	50%	0.501	S	S	.	.	H	α-helix	trans	-67.2	-40.7	177.9	-176.7	-104.2	0	0	0	112.2	P385 L386 D387 F392 I393	P385-F389 VanDerWaalsContact O-CB 3.29Å; P385-F389 WeakPolarHBondContact O-CB 3.46Å; P385-F389 PolarHBondContact O-N 2.86Å; L386-F389 PolarHBondContact O-N 3.06Å; D387-F389 VanDerWaalsContact C-N 3.33Å; D387-F389 PolarHBondContact O-N 2.88Å; F389-F392 WeakPolarHBondContact O-CB 3.28Å; F389-F392 PolarHBondContact O-N 2.88Å; F389-I393 HydrophobicContact CD1-CD1 3.78Å; F389-I393 HydrophobicContact CD1-CG1 4.48Å; F389-I393 HydrophobicContact CE1-CD1 3.3Å; F389-I393 HydrophobicContact CE1-CG1 4.18Å; F389-I393 HydrophobicContact CZ-CD1 3.8Å; F389-I393 HydrophobicContact CZ-CG1 4.34Å; F389-I393 WeakPolarHBondContact O-CG1 3.29Å; F389-I393 PolarHBondContact O-N 2.76Å
390	L	88.5	Confident	86.1	Confident	83 Å²	83	100.6 Å²	100.6	44%	0.435	52%	0.516	S	S	.	.	H	α-helix	trans	-62.8	-43.5	173.7	-88.6	163.2	0	0	0	111.7	L386 D387 F392 I393 L394	L386-L390 HydrophobicContact CD2-CD1 3.97Å; L386-L390 HydrophobicContact CD2-CG 4.48Å; L386-L390 WeakPolarHBondContact O-CB 3.49Å; L386-L390 PolarHBondContact O-N 2.78Å; D387-L390 PolarHBondContact O-N 2.89Å; L390-F392 VanDerWaalsContact C-N 3.3Å; L390-F392 PolarHBondContact O-N 3.29Å; L390-I393 PolarHBondContact O-N 2.95Å; L390-L394 WeakPolarHBondContact O-CG 3.37Å; L390-L394 PolarHBondContact O-N 3.12Å
391	L	88.1	Confident	86.2	Confident	97 Å²	97	101.9 Å²	101.9	51%	0.508	51%	0.514	S	S	.	.	H	α-helix	trans	-57.6	-45.1	172.1	-92.3	161.9	0	0	0	111	D387 I388 I393 L394 F395	D387-L391 WeakPolarHBondContact O-CB 3.13Å; D387-L391 PolarHBondContact O-N 2.79Å; I388-L391 PolarHBondContact O-N 2.86Å; L391-I393 PolarHBondContact O-N 2.84Å; L391-L394 PolarHBondContact O-N 2.81Å; L391-F395 HydrophobicContact CD2-CE2 4.19Å; L391-F395 VanDerWaalsContact O-CD2 3.27Å; L391-F395 WeakPolarHBondContact O-CD2 3.33Å; L391-F395 PolarHBondContact O-N 3.38Å
392	F	89.4	Confident	86.1	Confident	133 Å²	133	98.2 Å²	98.2	58%	0.583	50%	0.504	S	S	*	.	H	α-helix	trans	-62	-40.7	177	-171.3	-96.7	0	0	0	112.6	I388 F389 L390 F395 T396	I388-F392 PolarHBondContact O-N 3.16Å; F389-F392 WeakPolarHBondContact O-CB 3.28Å; F389-F392 PolarHBondContact O-N 2.88Å; L390-F392 VanDerWaalsContact C-N 3.3Å; L390-F392 PolarHBondContact O-N 3.29Å; F392-F395 PolarHBondContact O-N 2.98Å; F392-T396 HydrophobicContact CD1-CG2 4.11Å; F392-T396 HydrophobicContact CE1-CG2 3.74Å; F392-T396 HydrophobicContact CZ-CG2 3.99Å; F392-T396 WeakPolarHBondContact O-CG2 3.45Å; F392-T396 PolarHBondContact O-N 2.85Å; F392-T396 PolarHBondContact O-OG1 2.81Å
393	I	88.1	Confident	86	Confident	65 Å²	65	101.3 Å²	101.3	33%	0.333	51%	0.51	S	S	.	.	H	α-helix	trans	-63.2	-45.7	173.6	-70.1	173.9	0	0	0	110.8	F389 L390 L391 F395 T396 V397	F389-I393 HydrophobicContact CD1-CD1 3.78Å; F389-I393 HydrophobicContact CD1-CG1 4.48Å; F389-I393 HydrophobicContact CE1-CD1 3.3Å; F389-I393 HydrophobicContact CE1-CG1 4.18Å; F389-I393 HydrophobicContact CZ-CD1 3.8Å; F389-I393 HydrophobicContact CZ-CG1 4.34Å; F389-I393 WeakPolarHBondContact O-CG1 3.29Å; F389-I393 PolarHBondContact O-N 2.76Å; L390-I393 PolarHBondContact O-N 2.95Å; L391-I393 PolarHBondContact O-N 2.84Å; I393-F395 VanDerWaalsContact C-N 3.31Å; I393-F395 PolarHBondContact O-N 2.92Å; I393-T396 WeakPolarHBondContact CA-OG1 3.32Å; I393-T396 PolarHBondContact O-N 2.82Å; I393-T396 PolarHBondContact O-OG1 3.05Å; I393-V397 HydrophobicContact CG2-CG2 4.05Å; I393-V397 WeakPolarHBondContact O-CB 3.28Å; I393-V397 VanDerWaalsContact O-CG2 3.28Å; I393-V397 WeakPolarHBondContact O-CG2 3.5Å; I393-V397 PolarHBondContact O-N 3.37Å
394	L	88.9	Confident	85.7	Confident	107 Å²	107	102.3 Å²	102.3	56%	0.56	51%	0.51	S	S	*	.	H	α-helix	trans	-61.4	-41.2	178.3	-74	170.4	0	0	0	111.6	L390 L391 S398	L390-L394 WeakPolarHBondContact O-CG 3.37Å; L390-L394 PolarHBondContact O-N 3.12Å; L391-L394 PolarHBondContact O-N 2.81Å; L394-S398 WeakPolarHBondContact O-CB 3.24Å; L394-S398 PolarHBondContact O-N 2.77Å; L394-S398 PolarHBondContact O-OG 3.34Å
395	F	87.5	Confident	85.2	Confident	143 Å²	143	108 Å²	108	63%	0.627	52%	0.522	S	S	*	.	H	α-helix	trans	-63.7	-44.8	174.7	-91	-72.5	0	0	0	112.2	L391 F392 I393 S398 W399	L391-F395 HydrophobicContact CD2-CE2 4.19Å; L391-F395 VanDerWaalsContact O-CD2 3.27Å; L391-F395 WeakPolarHBondContact O-CD2 3.33Å; L391-F395 PolarHBondContact O-N 3.38Å; F392-F395 PolarHBondContact O-N 2.98Å; I393-F395 VanDerWaalsContact C-N 3.31Å; I393-F395 PolarHBondContact O-N 2.92Å; F395-S398 PolarHBondContact O-N 2.9Å; F395-W399 VanDerWaalsContact O-CB 3.25Å; F395-W399 WeakPolarHBondContact O-CB 3.34Å; F395-W399 PolarHBondContact O-N 3.25Å
396	T	86.7	Confident	84.5	Confident	63 Å²	63	108.8 Å²	108.8	39%	0.387	52%	0.519	S	S	.	.	H	α-helix	trans	-69	-39.7	179.8	51.9	0	0	0	0	112.6	F392 I393 W399 Y400	F392-T396 HydrophobicContact CD1-CG2 4.11Å; F392-T396 HydrophobicContact CE1-CG2 3.74Å; F392-T396 HydrophobicContact CZ-CG2 3.99Å; F392-T396 WeakPolarHBondContact O-CG2 3.45Å; F392-T396 PolarHBondContact O-N 2.85Å; F392-T396 PolarHBondContact O-OG1 2.81Å; I393-T396 WeakPolarHBondContact CA-OG1 3.32Å; I393-T396 PolarHBondContact O-N 2.82Å; I393-T396 PolarHBondContact O-OG1 3.05Å; T396-W399 PolarHBondContact O-N 2.9Å; T396-Y400 WeakPolarHBondContact O-CB 3.37Å; T396-Y400 PolarHBondContact O-N 2.83Å
397	V	88.9	Confident	83.5	Confident	74 Å²	74	107.8 Å²	107.8	45%	0.448	52%	0.519	S	S	.	.	H	α-helix	trans	-65.9	-44.4	174.1	172.6	0	0	0	0	110.6	I393 W399 Y400 L401	I393-V397 HydrophobicContact CG2-CG2 4.05Å; I393-V397 WeakPolarHBondContact O-CB 3.28Å; I393-V397 VanDerWaalsContact O-CG2 3.28Å; I393-V397 WeakPolarHBondContact O-CG2 3.5Å; I393-V397 PolarHBondContact O-N 3.37Å; V397-W399 VanDerWaalsContact C-N 3.33Å; V397-W399 PolarHBondContact O-N 3.48Å; V397-Y400 PolarHBondContact O-N 3.03Å; V397-L401 HydrophobicContact CG1-CD1 3.87Å; V397-L401 HydrophobicContact CG1-CG 4.34Å; V397-L401 WeakPolarHBondContact O-CB 3.21Å; V397-L401 VanDerWaalsContact O-CG 3.3Å; V397-L401 WeakPolarHBondContact O-CG 3.45Å; V397-L401 PolarHBondContact O-N 3.16Å
398	S	83.5	Confident	82.4	Confident	70 Å²	70	109.7 Å²	109.7	49%	0.49	52%	0.523	S	S	.	.	H	α-helix	trans	-62.4	-41.3	176.8	-60.9	0	0	0	0	111.5	L394 F395 L401 A402	L394-S398 WeakPolarHBondContact O-CB 3.24Å; L394-S398 PolarHBondContact O-N 2.77Å; L394-S398 PolarHBondContact O-OG 3.34Å; F395-S398 PolarHBondContact O-N 2.9Å; S398-L401 PolarHBondContact O-N 3.27Å; S398-A402 WeakPolarHBondContact O-CB 3.46Å; S398-A402 PolarHBondContact O-N 2.82Å
399	W	85.6	Confident	80.9	Confident	202 Å²	202	107 Å²	107	77%	0.765	52%	0.515	S	S	*	.	H	α-helix	trans	-61.9	-46.9	174.1	-170.8	-61.9	0	0	0	111.5	F395 T396 V397 A402 Y403	F395-W399 VanDerWaalsContact O-CB 3.25Å; F395-W399 WeakPolarHBondContact O-CB 3.34Å; F395-W399 PolarHBondContact O-N 3.25Å; T396-W399 PolarHBondContact O-N 2.9Å; V397-W399 VanDerWaalsContact C-N 3.33Å; V397-W399 PolarHBondContact O-N 3.48Å; W399-A402 PolarHBondContact O-N 3.45Å; W399-Y403 WeakPolarHBondContact O-CB 3.2Å; W399-Y403 PolarHBondContact O-N 2.85Å
400	Y	86.5	Confident	79.1	Confident	163 Å²	163	108.1 Å²	108.1	64%	0.639	52%	0.52	S	S	*	.	H	α-helix	trans	-64	-42.4	179.7	-169.6	-91.1	0	0	0	111.7	T396 V397 Y403 Y404	T396-Y400 WeakPolarHBondContact O-CB 3.37Å; T396-Y400 PolarHBondContact O-N 2.83Å; V397-Y400 PolarHBondContact O-N 3.03Å; Y400-Y403 PolarHBondContact O-N 2.9Å; Y400-Y404 WeakPolarHBondContact O-CB 3.36Å; Y400-Y404 PolarHBondContact O-N 2.97Å
401	L	83.4	Confident	77.1	Confident	87 Å²	87	109 Å²	109	46%	0.455	53%	0.533	S	S	.	.	H	α-helix	trans	-62.8	-44.4	174.7	-73.6	170.8	0	0	0	111.3	V397 S398 Y403 Y404 Y405	V397-L401 HydrophobicContact CG1-CD1 3.87Å; V397-L401 HydrophobicContact CG1-CG 4.34Å; V397-L401 WeakPolarHBondContact O-CB 3.21Å; V397-L401 VanDerWaalsContact O-CG 3.3Å; V397-L401 WeakPolarHBondContact O-CG 3.45Å; V397-L401 PolarHBondContact O-N 3.16Å; S398-L401 PolarHBondContact O-N 3.27Å; L401-Y403 PolarHBondContact O-N 3.47Å; L401-Y404 PolarHBondContact O-N 3.47Å; L401-Y405 WeakPolarHBondContact O-CB 3.32Å; L401-Y405 VanDerWaalsContact O-CD2 3.29Å; L401-Y405 WeakPolarHBondContact O-CD2 3.26Å; L401-Y405 PolarHBondContact O-N 2.85Å
402	A	81.7	Confident	75.1	Confident	60 Å²	60	115 Å²	115	50%	0.496	55%	0.549	S	S	.	.	H	α-helix	trans	-59.4	-45.7	176.3	0	0	0	0	0	111.7	S398 W399 Y405 E406	S398-A402 WeakPolarHBondContact O-CB 3.46Å; S398-A402 PolarHBondContact O-N 2.82Å; W399-A402 PolarHBondContact O-N 3.45Å; A402-Y405 PolarHBondContact O-N 3.41Å; A402-E406 WeakPolarHBondContact O-CB 3.27Å; A402-E406 PolarHBondContact O-N 2.75Å
403	Y	81.1	Confident	72.7	Confident	159 Å²	159	119.5 Å²	119.5	62%	0.624	56%	0.562	S	S	*	*	H	α-helix	trans	-65.5	-40.5	177.2	-170.7	-96.5	0	0	0	112.7	W399 Y400 L401 E406 S407	W399-Y403 WeakPolarHBondContact O-CB 3.2Å; W399-Y403 PolarHBondContact O-N 2.85Å; Y400-Y403 PolarHBondContact O-N 2.9Å; L401-Y403 PolarHBondContact O-N 3.47Å; Y403-E406 PolarHBondContact O-N 3.24Å; Y403-S407 WeakPolarHBondContact O-CB 3.08Å; Y403-S407 PolarHBondContact O-N 3.32Å; Y403-S407 PolarHBondContact O-OG 3.16Å; Y403-S407 VanDerWaalsContact O-OG 3.13Å
404	Y	79.3	Confident	70.1	Confident	109 Å²	109	126.2 Å²	126.2	43%	0.427	59%	0.589	S	S	.	*	H	α-helix	trans	-63.9	-42.8	175.3	-175.3	-94.5	0	0	0	111.5	Y400 L401 S407 K408	Y400-Y404 WeakPolarHBondContact O-CB 3.36Å; Y400-Y404 PolarHBondContact O-N 2.97Å; L401-Y404 PolarHBondContact O-N 3.47Å; Y404-S407 PolarHBondContact O-OG 2.92Å; Y404-K408 HydrophobicContact CE1-CD 3.85Å; Y404-K408 WeakPolarHBondContact O-CB 3.16Å; Y404-K408 PolarHBondContact O-N 2.84Å; Y404-K408 VanDerWaalsContact O-N 3.07Å; Y404-K408 PolarHBondContact OH-NZ 2.78Å; Y404-K408 VanDerWaalsContact OH-NZ 3.16Å
405	Y	71.3	Confident	67.5	Low	168 Å²	168	126.2 Å²	126.2	66%	0.659	60%	0.598	S	S	*	*	H	α-helix	trans	-65.5	-40.9	175	-91.3	-75	0	0	0	112.1	L401 A402 K408 S409	L401-Y405 WeakPolarHBondContact O-CB 3.32Å; L401-Y405 VanDerWaalsContact O-CD2 3.29Å; L401-Y405 WeakPolarHBondContact O-CD2 3.26Å; L401-Y405 PolarHBondContact O-N 2.85Å; A402-Y405 PolarHBondContact O-N 3.41Å; Y405-K408 PolarHBondContact O-N 3.23Å; Y405-S409 VanDerWaalsContact O-CB 3.24Å; Y405-S409 WeakPolarHBondContact O-CB 3.5Å; Y405-S409 PolarHBondContact O-N 3.22Å; Y405-S409 PolarHBondContact O-OG 3.09Å
406	E	71.8	Confident	64.8	Low	94 Å²	94	126.1 Å²	126.1	44%	0.439	60%	0.604	S	S	.	*	H	α-helix	trans	-65.4	-46	178.8	-162.1	-176	163.3	0	0	111.4	A402 Y403 K408 S409 K410	A402-E406 WeakPolarHBondContact O-CB 3.27Å; A402-E406 PolarHBondContact O-N 2.75Å; Y403-E406 PolarHBondContact O-N 3.24Å; E406-K408 VanDerWaalsContact C-N 3.34Å; E406-K408 PolarHBondContact O-N 3.48Å; E406-S409 PolarHBondContact O-N 3.44Å; E406-S409 PolarHBondContact O-OG 2.82Å; E406-K410 PolarHBondContact O-N 3.06Å; E406-K410 WeakPolarHBondContact OE1-CE 3.38Å; E406-K410 IonicContact OE1-NZ 3.93Å; E406-K410 PolarHBondContact OE1-NZ 3.05Å
407	S	65.4	Low	62.3	Low	60 Å²	60	129.8 Å²	129.8	42%	0.42	62%	0.621	S	S	.	*	H	α-helix	trans	-62.2	-38.8	177.3	63.3	0	0	0	0	112.7	Y403 Y404 S411	Y403-S407 WeakPolarHBondContact O-CB 3.08Å; Y403-S407 PolarHBondContact O-N 3.32Å; Y403-S407 PolarHBondContact O-OG 3.16Å; Y403-S407 VanDerWaalsContact O-OG 3.13Å; Y404-S407 PolarHBondContact O-OG 2.92Å; S407-S411 PolarHBondContact O-N 3.37Å
408	K	60.9	Low	59.5	Low	121 Å²	121	132.4 Å²	132.4	53%	0.526	64%	0.637	S	S	.	*	H	α-helix	trans	-73.7	-33.1	177	-150.2	171.3	-171.4	170.9	0	112.4	Y404 Y405 E406 S411 R412	Y404-K408 HydrophobicContact CE1-CD 3.85Å; Y404-K408 WeakPolarHBondContact O-CB 3.16Å; Y404-K408 PolarHBondContact O-N 2.84Å; Y404-K408 VanDerWaalsContact O-N 3.07Å; Y404-K408 PolarHBondContact OH-NZ 2.78Å; Y404-K408 VanDerWaalsContact OH-NZ 3.16Å; Y405-K408 PolarHBondContact O-N 3.23Å; E406-K408 VanDerWaalsContact C-N 3.34Å; E406-K408 PolarHBondContact O-N 3.48Å; K408-S411 PolarHBondContact O-N 2.56Å; K408-R412 PolarHBondContact O-N 3.2Å
409	S	54.1	Low	57	Low	64 Å²	64	134.9 Å²	134.9	45%	0.448	65%	0.653	S	S	.	*	H	α-helix	trans	-70.6	-37.2	175.4	77.3	0	0	0	0	112.5	Y405 E406 S411 R412 R413	Y405-S409 VanDerWaalsContact O-CB 3.24Å; Y405-S409 WeakPolarHBondContact O-CB 3.5Å; Y405-S409 PolarHBondContact O-N 3.22Å; Y405-S409 PolarHBondContact O-OG 3.09Å; E406-S409 PolarHBondContact O-N 3.44Å; E406-S409 PolarHBondContact O-OG 2.82Å; S409-S411 VanDerWaalsContact C-N 3.33Å; S409-S411 PolarHBondContact O-N 3.44Å; S409-R412 PolarHBondContact O-N 2.96Å; S409-R412 VanDerWaalsContact O-N 3.17Å; S409-R413 PolarHBondContact O-N 2.97Å; S409-R413 VanDerWaalsContact O-N 3.16Å
410	K	51	Low	54.3	Low	148 Å²	148	132.1 Å²	132.1	64%	0.643	65%	0.654	S	S	*	*	H	α-helix	trans	-67.6	-31.8	174	-75.1	-179.8	-175.8	166	0	112.3	E406 R412	E406-K410 PolarHBondContact O-N 3.06Å; E406-K410 WeakPolarHBondContact OE1-CE 3.38Å; E406-K410 IonicContact OE1-NZ 3.93Å; E406-K410 PolarHBondContact OE1-NZ 3.05Å; K410-R412 VanDerWaalsContact C-N 3.29Å; K410-R412 PolarHBondContact O-N 3.42Å
411	S	46.7	Very low	51.5	Low	103 Å²	103	130.3 Å²	130.3	72%	0.72	66%	0.659	S	S	*	*	H	α-helix	trans	-66.3	-29.7	172	179.2	0	0	0	0	112.9	S407 K408 S409	S407-S411 PolarHBondContact O-N 3.37Å; K408-S411 PolarHBondContact O-N 2.56Å; S409-S411 VanDerWaalsContact C-N 3.33Å; S409-S411 PolarHBondContact O-N 3.44Å
412	R	46	Very low	48.8	Very low	222 Å²	222	134.7 Å²	134.7	84%	0.838	68%	0.677	S	S	*	*	H	α-helix	trans	-98.2	-10.3	-174.2	-128.9	177.5	-176.2	-178.5	0.1	115.5	K408 S409 K410 K414	K408-R412 PolarHBondContact O-N 3.2Å; S409-R412 PolarHBondContact O-N 2.96Å; S409-R412 VanDerWaalsContact O-N 3.17Å; K410-R412 VanDerWaalsContact C-N 3.29Å; K410-R412 PolarHBondContact O-N 3.42Å; R412-K414 PolarHBondContact O-N 2.8Å
413	R	37.9	Very low	46.3	Very low	228 Å²	228	141 Å²	141	86%	0.86	70%	0.697	S	S	*	*			trans	-82.2	57.2	175.5	-105.7	-178.9	177.5	175.2	-0	112.3	S409	S409-R413 PolarHBondContact O-N 2.97Å; S409-R413 VanDerWaalsContact O-N 3.16Å
414	K	33.6	Very low	43.8	Very low	206 Å²	206	138.8 Å²	138.8	90%	0.896	70%	0.704	S	S	*	*			trans	-123.3	71.5	151.7	-108.2	-171.9	-179.6	179.7	0	107	R412	R412-K414 PolarHBondContact O-N 2.8Å
415	S	34	Very low	41.4	Very low	107 Å²	107	138.3 Å²	138.3	75%	0.748	72%	0.717	S	S	*	*			trans	-175.7	117.3	155.4	-177	0	0	0	0	107.8
416	N	32	Very low	39.2	Very low	141 Å²	141	137.1 Å²	137.1	75%	0.754	73%	0.727	S	S	*	*			trans	-78.2	167.9	-177.5	-66.2	-28.4	0	0	0	112.4
417	N	34.2	Very low	37	Very low	140 Å²	140	141.6 Å²	141.6	75%	0.749	75%	0.748	S	S	*	*			trans	114.2	99.9	145.8	-65.7	-9.1	0	0	0	114.3
418	T	29.7	Very low	35	Very low	128 Å²	128	143.1 Å²	143.1	79%	0.785	76%	0.759	S	S	*	*				69.3	102.9	87	36.2	0	0	0	0	114.8
419	C	30.1	Very low	33.4	Very low	123 Å²	123	145.2 Å²	145.2	83%	0.831	77%	0.774	S	S	*	*			trans	177.3	104.3	134.3	-122.8	0	0	0	0	106.1
420	N	29.1	Very low	31.9	Very low	144 Å²	144	149.4 Å²	149.4	77%	0.77	79%	0.787	S	S	*	*				58.8	133.9	83	-78.5	2.5	0	0	0	115
421	V	28.9	Very low	30.5	Very low	125 Å²	125	149.9 Å²	149.9	76%	0.758	79%	0.791	S	S	*	*			trans	83.3	119.3	167.1	-161.4	0	0	0	0	112.4
422	E	27	Very low	29.4	Very low	179 Å²	179	153.3 Å²	153.3	84%	0.836	80%	0.796	S	S	*	*			cis	-155.4	149	30.7	-139.1	150.8	-147.6	0	0	110.9
423	E	27.9	Very low	28.9	Very low	192 Å²	192	147.8 Å²	147.8	90%	0.897	79%	0.789	S	S	*	*			trans	-65.3	131.9	169.3	-68.1	166.6	131.2	0	0	111
424	S	29.8	Very low	28.4	Very low	112 Å²	112	144.4 Å²	144.4	78%	0.783	79%	0.788	S	S	*	*			trans	-137.8	89.8	148	61.7	0	0	0	0	108.9
425	S	27.7	Very low	28.1	Very low	100 Å²	100	139.9 Å²	139.9	70%	0.699	78%	0.782	S	S	*	*			trans	46.6	90.3	143.6	60	0	0	0	0	117.3	Q427	S425-Q427 PolarHBondContact O-N 2.86Å; S425-Q427 VanDerWaalsContact O-N 3.12Å
426	T	25	Very low	28	Very low	142 Å²	142	141.3 Å²	141.3	87%	0.871	78%	0.781	S	S	*	*			trans	-33.5	104.3	131.1	24.7	0	0	0	0	111.9
427	Q	26.4	Very low	27.9	Very low	188 Å²	188	144.2 Å²	144.2	88%	0.879	79%	0.79	S	S	*	*			trans	-93.3	97.5	147.5	-88.5	-174.9	-13.8	0	0	107.9	S425 I429	S425-Q427 PolarHBondContact O-N 2.86Å; S425-Q427 VanDerWaalsContact O-N 3.12Å; Q427-I429 PolarHBondContact O-N 2.67Å
428	S	22.8	Very low	27.8	Very low	92 Å²	92	141.9 Å²	141.9	64%	0.643	79%	0.785	S	S	*	*			trans	-51.8	113.2	158.4	50.7	0	0	0	0	110.7
429	I	26.9	Very low	28	Very low	165 Å²	165	144.1 Å²	144.1	85%	0.846	79%	0.787	S	S	*	*			trans	-101.9	80.6	143.1	-59.9	174	0	0	0	103.2	Q427	Q427-I429 PolarHBondContact O-N 2.67Å
430	Q	24.1	Very low	28.4	Very low	153 Å²	153	146.2 Å²	146.2	72%	0.715	78%	0.784	S	S	*	*				32.9	89.6	107.2	-86.4	-178.3	-24.3	0	0	111
431	Q	21.6	Very low	28.7	Very low	157 Å²	157	146.3 Å²	146.3	73%	0.734	78%	0.783	S	S	*	*				62.3	102.5	97.2	-81.6	-178.3	-27.5	0	0	113.3
432	Q	22.6	Very low	29.1	Very low	175 Å²	175	144.3 Å²	144.3	82%	0.818	77%	0.768	S	S	*	*			trans	66.5	156.5	134	-84.5	173.7	-51.6	0	0	119.8
433	P	36	Very low	29.6	Very low	106 Å²	106	140.2 Å²	140.2	69%	0.688	75%	0.751	S	S	*	*			cis	-125.2	161.4	-2.4	32	-13.4	0	0	0	114.3	S435	P433-S435 PolarHBondContact O-N 2.94Å
434	N	26.1	Very low	30.3	Very low	157 Å²	157	135.8 Å²	135.8	84%	0.84	74%	0.739	S	S	*	*			trans	-36.8	120.5	149.5	-60.3	-18.5	0	0	0	110.3
435	S	29	Very low	31.2	Very low	112 Å²	112	134.9 Å²	134.9	78%	0.783	73%	0.729	S	S	*	*			trans	-116.7	110.3	148.9	58.9	0	0	0	0	105.6	P433	P433-S435 PolarHBondContact O-N 2.94Å
436	D	31	Very low	32.4	Very low	136 Å²	136	135.8 Å²	135.8	73%	0.727	72%	0.722	S	S	*	*			trans	-38.4	144.3	166.7	-64.4	-54.3	0	0	0	110.4	S438	D436-S438 PolarHBondContact O-N 2.83Å
437	E	30.6	Very low	33.6	Very low	202 Å²	202	135.8 Å²	135.8	94%	0.944	71%	0.707	S	S	*	*			trans	-61.4	61.7	162.3	-64.8	176.3	155.4	0	0	109.3	E439	E437-E439 PolarHBondContact O-N 2.74Å; E437-E439 VanDerWaalsContact O-N 3.16Å
438	S	32.1	Very low	34.8	Very low	92 Å²	92	130.5 Å²	130.5	64%	0.643	69%	0.687	S	S	*	*			trans	-69.9	108.7	159.5	59.5	0	0	0	0	104.9	D436 Q440	D436-S438 PolarHBondContact O-N 2.83Å; S438-Q440 PolarHBondContact O-N 3.11Å
439	E	33.1	Very low	36.3	Very low	174 Å²	174	128.1 Å²	128.1	81%	0.813	67%	0.667	S	S	*	*			trans	-22.9	105.4	160.4	-69.7	175.3	148.9	0	0	108.6	E437 I441	E437-E439 PolarHBondContact O-N 2.74Å; E437-E439 VanDerWaalsContact O-N 3.16Å; E439-I441 PolarHBondContact O-N 2.85Å
440	Q	38.6	Very low	37.8	Very low	168 Å²	168	125.3 Å²	125.3	79%	0.785	65%	0.65	S	S	*	*			trans	-62.8	95.6	169.2	-86	-179.3	-1.6	0	0	104.7	S438 L442	S438-Q440 PolarHBondContact O-N 3.11Å; Q440-L442 HydrophobicContact CB-CD1 4.27Å; Q440-L442 PolarHBondContact O-N 2.82Å
441	I	36.5	Very low	39.3	Very low	145 Å²	145	124.1 Å²	124.1	74%	0.744	64%	0.643	S	S	*	*			trans	-62.6	85.6	163.2	-60.8	170.8	0	0	0	103.5	E439 I443	E439-I441 PolarHBondContact O-N 2.85Å; I441-I443 PolarHBondContact O-N 2.91Å
442	L	35.8	Very low	40.4	Very low	83 Å²	83	119 Å²	119	44%	0.435	62%	0.62	S	S	.	*			trans	-61.7	104.5	173.4	-94.4	114.7	0	0	0	105.8	Q440 P444 Y447	Q440-L442 HydrophobicContact CB-CD1 4.27Å; Q440-L442 PolarHBondContact O-N 2.82Å; L442-P444 WeakPolarHBondContact O-CD 3Å; L442-Y447 HydrophobicContact CD2-CD2 4.07Å
443	I	37.3	Very low	41.7	Very low	94 Å²	94	116.3 Å²	116.3	48%	0.482	61%	0.608	S	S	.	*			trans	-61.5	122.5	172.1	-55.7	174.2	0	0	0	105.1	I441 T445 Q446	I441-I443 PolarHBondContact O-N 2.91Å; I443-T445 WeakPolarHBondContact CG2-OG1 3.4Å; I443-T445 PolarHBondContact O-N 3.26Å; I443-Q446 PolarHBondContact O-N 3.29Å
444	P	42.4	Very low	42.7	Very low	99 Å²	99	117.8 Å²	117.8	64%	0.643	61%	0.61	S	S	*	*	H	α-helix	trans	-50.8	-30	-170.4	-31.1	34.7	0	0	0	114.5	L442 Y447 V448	L442-P444 WeakPolarHBondContact O-CD 3Å; P444-Y447 PolarHBondContact O-N 3.39Å; P444-V448 WeakPolarHBondContact O-CG2 3.4Å; P444-V448 PolarHBondContact O-N 2.78Å
445	T	48.6	Very low	43.9	Very low	93 Å²	93	113.1 Å²	113.1	57%	0.571	59%	0.59	S	S	*	*	H	α-helix	trans	-65.8	-33.8	176.1	49.7	0	0	0	0	114.1	I443 D449	I443-T445 WeakPolarHBondContact CG2-OG1 3.4Å; I443-T445 PolarHBondContact O-N 3.26Å; T445-D449 WeakPolarHBondContact O-CB 3.48Å; T445-D449 PolarHBondContact O-N 2.83Å; T445-D449 VanDerWaalsContact O-N 3.16Å
446	Q	52.9	Low	44.4	Very low	119 Å²	119	111 Å²	111	56%	0.556	59%	0.586	S	S	*	*	H	α-helix	trans	-71.5	-41	176.5	-80	178	-37.4	0	0	111.4	I443 V448 D449 E450	I443-Q446 PolarHBondContact O-N 3.29Å; Q446-V448 VanDerWaalsContact C-N 3.34Å; Q446-V448 PolarHBondContact O-N 3.37Å; Q446-D449 PolarHBondContact O-N 2.79Å; Q446-E450 WeakPolarHBondContact O-CB 3.22Å; Q446-E450 PolarHBondContact O-N 2.81Å
447	Y	51.9	Low	44.7	Very low	141 Å²	141	109.4 Å²	109.4	55%	0.553	58%	0.577	S	S	*	*	H	α-helix	trans	-60.4	-43.3	176.8	179.7	-99.5	0	0	0	112.1	L442 P444 E450 F451	L442-Y447 HydrophobicContact CD2-CD2 4.07Å; P444-Y447 PolarHBondContact O-N 3.39Å; Y447-E450 PolarHBondContact O-N 3.4Å; Y447-F451 WeakPolarHBondContact O-CB 3.47Å; Y447-F451 PolarHBondContact O-N 2.93Å
448	V	50.2	Low	45.4	Very low	78 Å²	78	105.6 Å²	105.6	47%	0.473	56%	0.559	S	S	.	*	H	α-helix	trans	-67.6	-43.2	178	175.4	0	0	0	0	111.6	P444 Q446 E450 F451 L452	P444-V448 WeakPolarHBondContact O-CG2 3.4Å; P444-V448 PolarHBondContact O-N 2.78Å; Q446-V448 VanDerWaalsContact C-N 3.34Å; Q446-V448 PolarHBondContact O-N 3.37Å; V448-E450 VanDerWaalsContact C-N 3.32Å; V448-E450 PolarHBondContact O-N 3.05Å; V448-F451 PolarHBondContact O-N 2.75Å; V448-L452 HydrophobicContact CG1-CD1 3.91Å; V448-L452 HydrophobicContact CG1-CG 4.44Å; V448-L452 WeakPolarHBondContact O-CB 3.46Å; V448-L452 VanDerWaalsContact O-CG 3.25Å; V448-L452 WeakPolarHBondContact O-CG 3.03Å; V448-L452 PolarHBondContact O-N 3.34Å
449	D	54.5	Low	46.1	Very low	41 Å²	41	101.4 Å²	101.4	22%	0.219	53%	0.53	C	S	.	.	H	α-helix	trans	-60.7	-41.2	176.4	-87	-23.8	0	0	0	111.1	T445 Q446 Q453 S459 K461	T445-D449 WeakPolarHBondContact O-CB 3.48Å; T445-D449 PolarHBondContact O-N 2.83Å; T445-D449 VanDerWaalsContact O-N 3.16Å; Q446-D449 PolarHBondContact O-N 2.79Å; D449-Q453 PolarHBondContact O-N 2.91Å; D449-Q453 VanDerWaalsContact O-N 3.09Å; D449-S459 VanDerWaalsContact OD1-CB 3.23Å; D449-S459 WeakPolarHBondContact OD1-CB 3.26Å; D449-S459 PolarHBondContact OD1-OG 3.44Å; D449-K461 IonicContact OD2-NZ 3.59Å
450	E	59.1	Low	46.7	Very low	106 Å²	106	100.6 Å²	100.6	50%	0.495	52%	0.521	S	S	.	.	H	α-helix	trans	-71.9	-39.6	179.6	-165.7	173.3	-159.7	0	0	112.7	Q446 Y447 V448 L452 Q453 N454	Q446-E450 WeakPolarHBondContact O-CB 3.22Å; Q446-E450 PolarHBondContact O-N 2.81Å; Y447-E450 PolarHBondContact O-N 3.4Å; V448-E450 VanDerWaalsContact C-N 3.32Å; V448-E450 PolarHBondContact O-N 3.05Å; E450-L452 VanDerWaalsContact C-N 3.34Å; E450-L452 PolarHBondContact O-N 2.72Å; E450-Q453 PolarHBondContact O-N 3.16Å; E450-N454 WeakPolarHBondContact O-CB 3.32Å; E450-N454 PolarHBondContact O-N 3.26Å; E450-N454 PolarHBondContact O-ND2 2.8Å
451	F	54.5	Low	47.2	Very low	128 Å²	128	98.5 Å²	98.5	56%	0.561	51%	0.509	S	S	*	.	H	α-helix	trans	-60.9	-42.7	173.8	-179.6	-95.8	0	0	0	111.9	Y447 V448 N454 S455	Y447-F451 WeakPolarHBondContact O-CB 3.47Å; Y447-F451 PolarHBondContact O-N 2.93Å; V448-F451 PolarHBondContact O-N 2.75Å; F451-N454 PolarHBondContact O-N 2.6Å; F451-S455 PolarHBondContact O-N 3.15Å; F451-S455 VanDerWaalsContact O-N 3.16Å; F451-S455 PolarHBondContact O-OG 3.06Å
452	L	46.1	Very low	48.1	Very low	49 Å²	49	95.8 Å²	95.8	26%	0.257	49%	0.493	S	S	.	.	H	α-helix	trans	-66.2	-43.3	177.9	-71.9	172.2	0	0	0	111.6	V448 E450 N454 S455 G456 N457	V448-L452 HydrophobicContact CG1-CD1 3.91Å; V448-L452 HydrophobicContact CG1-CG 4.44Å; V448-L452 WeakPolarHBondContact O-CB 3.46Å; V448-L452 VanDerWaalsContact O-CG 3.25Å; V448-L452 WeakPolarHBondContact O-CG 3.03Å; V448-L452 PolarHBondContact O-N 3.34Å; E450-L452 VanDerWaalsContact C-N 3.34Å; E450-L452 PolarHBondContact O-N 2.72Å; L452-N454 PolarHBondContact O-N 3.23Å; L452-S455 WeakPolarHBondContact CA-OG 2.95Å; L452-S455 PolarHBondContact O-N 2.94Å; L452-S455 PolarHBondContact O-OG 3.46Å; L452-S455 VanDerWaalsContact O-OG 3.12Å; L452-G456 PolarHBondContact O-N 3.01Å; L452-N457 CarbonylContact C-O 3.59Å; L452-N457 WeakPolarHBondContact CB-O 3.34Å; L452-N457 HydrophobicContact CD2-CB 4.34Å; L452-N457 CarbonylContact O-C 3.59Å; L452-N457 PolarHBondContact O-N 3.23Å
453	Q	49.5	Very low	49	Very low	120 Å²	120	97.2 Å²	97.2	56%	0.561	49%	0.494	S	S	*	.	H	α-helix	trans	-59.9	-45.3	174.2	-82.1	-173.6	-7.3	0	0	112.7	D449 E450 S455 G456	D449-Q453 PolarHBondContact O-N 2.91Å; D449-Q453 VanDerWaalsContact O-N 3.09Å; E450-Q453 PolarHBondContact O-N 3.16Å; Q453-S455 PolarHBondContact O-N 3.04Å; Q453-G456 PolarHBondContact O-N 3.24Å; Q453-G456 VanDerWaalsContact O-N 3.12Å
454	N	56.4	Low	49.9	Very low	136 Å²	136	95.8 Å²	95.8	73%	0.727	49%	0.486	S	S	*	.	H	α-helix	trans	-67	-24.7	-179.6	-75.3	-22.3	0	0	0	113.4	E450 F451 L452 G456	E450-N454 WeakPolarHBondContact O-CB 3.32Å; E450-N454 PolarHBondContact O-N 3.26Å; E450-N454 PolarHBondContact O-ND2 2.8Å; F451-N454 PolarHBondContact O-N 2.6Å; L452-N454 PolarHBondContact O-N 3.23Å; N454-G456 VanDerWaalsContact C-N 3.33Å
455	S	52.2	Low	50.8	Low	59 Å²	59	95.2 Å²	95.2	41%	0.413	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	6.5	176.2	43.3	0	0	0	0	113.5	F451 L452 Q453 N457	F451-S455 PolarHBondContact O-N 3.15Å; F451-S455 VanDerWaalsContact O-N 3.16Å; F451-S455 PolarHBondContact O-OG 3.06Å; L452-S455 WeakPolarHBondContact CA-OG 2.95Å; L452-S455 PolarHBondContact O-N 2.94Å; L452-S455 PolarHBondContact O-OG 3.46Å; L452-S455 VanDerWaalsContact O-OG 3.12Å; Q453-S455 PolarHBondContact O-N 3.04Å; S455-N457 PolarHBondContact O-N 2.05Å
456	G	39	Very low	51.3	Low	68 Å²	68	97.6 Å²	97.6	70%	0.701	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.9	7.1	179.5	0	0	0	0	0	114.2	L452 Q453 N454	L452-G456 PolarHBondContact O-N 3.01Å; Q453-G456 PolarHBondContact O-N 3.24Å; Q453-G456 VanDerWaalsContact O-N 3.12Å; N454-G456 VanDerWaalsContact C-N 3.33Å
457	N	37.6	Very low	51.5	Low	102 Å²	102	98.1 Å²	98.1	55%	0.545	47%	0.472	S	S	.	.			trans	-96.6	106.8	178.6	-74.3	-30	0	0	0	108.8	L452 S455 S459	L452-N457 CarbonylContact C-O 3.59Å; L452-N457 WeakPolarHBondContact CB-O 3.34Å; L452-N457 HydrophobicContact CD2-CB 4.34Å; L452-N457 CarbonylContact O-C 3.59Å; L452-N457 PolarHBondContact O-N 3.23Å; S455-N457 PolarHBondContact O-N 2.05Å; N457-S459 PolarHBondContact O-N 3Å
458	E	44.5	Very low	51.7	Low	122 Å²	122	95 Å²	95	57%	0.57	47%	0.465	S	S	*	.			trans	-54.4	127.8	175.6	-70.2	-174.6	173.7	0	0	110.1	R466	E458-R466 VanDerWaalsContact CD-NH1 3.26Å; E458-R466 IonicContact OE1-CZ 3.02Å; E458-R466 IonicContact OE1-NH1 2.66Å; E458-R466 PolarHBondContact OE1-NH1 3.06Å; E458-R466 IonicContact OE2-NH1 2.62Å; E458-R466 PolarHBondContact OE2-NH1 3.42Å
459	S	47.5	Very low	52.1	Low	4 Å²	4	98.2 Å²	98.2	3%	0.028	47%	0.473	C	S	.	.			trans	-64.9	148.6	-174.6	105.2	0	0	0	0	112	D449 N457 K461 E462 Y463	D449-S459 VanDerWaalsContact OD1-CB 3.23Å; D449-S459 WeakPolarHBondContact OD1-CB 3.26Å; D449-S459 PolarHBondContact OD1-OG 3.44Å; N457-S459 PolarHBondContact O-N 3Å; S459-K461 PolarHBondContact O-N 3.03Å; S459-K461 VanDerWaalsContact O-N 3.08Å; S459-K461 PolarHBondContact OG-N 3.48Å; S459-E462 WeakPolarHBondContact O-CA 3.36Å; S459-E462 VanDerWaalsContact O-CB 3.24Å; S459-E462 WeakPolarHBondContact O-CB 3.47Å; S459-E462 PolarHBondContact O-N 2.82Å; S459-Y463 PolarHBondContact O-N 2.89Å
460	Y	45.3	Very low	52	Low	158 Å²	158	103.4 Å²	103.4	62%	0.62	49%	0.494	S	S	*	.	H	α-helix	trans	-57.4	-27.9	-179.1	-174.5	-105.5	0	0	0	112.9	Y463 I464	Y460-Y463 HydrophobicContact CD2-CD1 4.21Å; Y460-Y463 HydrophobicContact CE2-CD1 4.09Å; Y460-Y463 HydrophobicContact CE2-CE1 4.43Å; Y460-Y463 WeakPolarHBondContact O-CB 3.43Å; Y460-Y463 PolarHBondContact O-N 2.99Å; Y460-I464 HydrophobicContact CD1-CD1 3.79Å; Y460-I464 HydrophobicContact CD1-CG1 4.28Å; Y460-I464 HydrophobicContact CE1-CD1 3.32Å; Y460-I464 HydrophobicContact CE1-CG1 3.97Å; Y460-I464 WeakPolarHBondContact O-CG1 3.28Å; Y460-I464 PolarHBondContact O-N 3.33Å
461	K	49.2	Very low	51.4	Low	123 Å²	123	106 Å²	106	54%	0.535	50%	0.499	S	S	.	.	H	α-helix	trans	-66	-42.1	173.7	-172	179.8	176.1	-174.2	0	111.6	D449 S459 I464 I465	D449-K461 IonicContact OD2-NZ 3.59Å; S459-K461 PolarHBondContact O-N 3.03Å; S459-K461 VanDerWaalsContact O-N 3.08Å; S459-K461 PolarHBondContact OG-N 3.48Å; K461-I464 PolarHBondContact O-N 3.25Å; K461-I465 HydrophobicContact CG-CD1 4.36Å; K461-I465 WeakPolarHBondContact O-CG1 3.13Å; K461-I465 PolarHBondContact O-N 2.82Å
462	E	54.8	Low	51	Low	88 Å²	88	104.3 Å²	104.3	41%	0.411	50%	0.496	S	S	.	.	H	α-helix	trans	-63.6	-43	173.8	-148.7	114.3	-136	0	0	110.7	S459 I464 I465 R466	S459-E462 WeakPolarHBondContact O-CA 3.36Å; S459-E462 VanDerWaalsContact O-CB 3.24Å; S459-E462 WeakPolarHBondContact O-CB 3.47Å; S459-E462 PolarHBondContact O-N 2.82Å; E462-I464 PolarHBondContact O-N 2.89Å; E462-I465 PolarHBondContact O-N 3.23Å; E462-R466 WeakPolarHBondContact O-CB 3.36Å; E462-R466 PolarHBondContact O-N 3.35Å
463	Y	56.3	Low	51.1	Low	113 Å²	113	106.7 Å²	106.7	44%	0.443	51%	0.512	S	S	.	.	H	α-helix	trans	-57.2	-46.3	173.2	173.3	-94.4	0	0	0	112.2	S459 Y460 R466 R467	S459-Y463 PolarHBondContact O-N 2.89Å; Y460-Y463 HydrophobicContact CD2-CD1 4.21Å; Y460-Y463 HydrophobicContact CE2-CD1 4.09Å; Y460-Y463 HydrophobicContact CE2-CE1 4.43Å; Y460-Y463 WeakPolarHBondContact O-CB 3.43Å; Y460-Y463 PolarHBondContact O-N 2.99Å; Y463-R466 PolarHBondContact O-N 3.35Å; Y463-R467 VanDerWaalsContact O-CB 3.32Å; Y463-R467 WeakPolarHBondContact O-CB 3.05Å; Y463-R467 PolarHBondContact O-N 2.97Å; Y463-R467 PolarHBondContact OH-NH1 3.16Å
464	I	54.9	Low	50.9	Low	65 Å²	65	106.6 Å²	106.6	33%	0.333	52%	0.515	S	S	.	.	H	α-helix	trans	-63.7	-45.8	176.6	-72.8	-179.5	0	0	0	111.3	Y460 K461 E462 R466 R467 N468	Y460-I464 HydrophobicContact CD1-CD1 3.79Å; Y460-I464 HydrophobicContact CD1-CG1 4.28Å; Y460-I464 HydrophobicContact CE1-CD1 3.32Å; Y460-I464 HydrophobicContact CE1-CG1 3.97Å; Y460-I464 WeakPolarHBondContact O-CG1 3.28Å; Y460-I464 PolarHBondContact O-N 3.33Å; K461-I464 PolarHBondContact O-N 3.25Å; E462-I464 PolarHBondContact O-N 2.89Å; I464-R466 VanDerWaalsContact C-N 3.29Å; I464-R466 PolarHBondContact O-N 3.02Å; I464-R467 PolarHBondContact O-N 3.32Å; I464-N468 WeakPolarHBondContact O-CB 3.2Å; I464-N468 PolarHBondContact O-N 3.06Å
465	I	61.8	Low	50	Low	87 Å²	87	109.7 Å²	109.7	45%	0.446	52%	0.517	S	S	.	.	H	α-helix	trans	-59.8	-42.3	178.1	-69.6	165.8	0	0	0	110.3	K461 E462 N468 K469	K461-I465 HydrophobicContact CG-CD1 4.36Å; K461-I465 WeakPolarHBondContact O-CG1 3.13Å; K461-I465 PolarHBondContact O-N 2.82Å; E462-I465 PolarHBondContact O-N 3.23Å; I465-N468 PolarHBondContact O-N 3.35Å; I465-K469 WeakPolarHBondContact O-CB 3.02Å; I465-K469 PolarHBondContact O-N 3.38Å
466	R	59.6	Low	49.6	Very low	142 Å²	142	114.4 Å²	114.4	54%	0.536	53%	0.534	S	S	.	.	H	α-helix	trans	-67.7	-41.2	178	-141.1	177.4	-164	162.5	5.4	111.8	E458 E462 Y463 I464 K469 K470	E458-R466 VanDerWaalsContact CD-NH1 3.26Å; E458-R466 IonicContact OE1-CZ 3.02Å; E458-R466 IonicContact OE1-NH1 2.66Å; E458-R466 PolarHBondContact OE1-NH1 3.06Å; E458-R466 IonicContact OE2-NH1 2.62Å; E458-R466 PolarHBondContact OE2-NH1 3.42Å; E462-R466 WeakPolarHBondContact O-CB 3.36Å; E462-R466 PolarHBondContact O-N 3.35Å; Y463-R466 PolarHBondContact O-N 3.35Å; I464-R466 VanDerWaalsContact C-N 3.29Å; I464-R466 PolarHBondContact O-N 3.02Å; R466-K469 PolarHBondContact O-N 3.46Å; R466-K470 PolarHBondContact O-N 2.97Å
467	R	56	Low	49.7	Very low	130 Å²	130	113.9 Å²	113.9	49%	0.491	53%	0.529	S	S	.	.	H	α-helix	trans	-64	-40.5	175.6	-165.9	177.2	-173.4	169.5	0.7	111.4	Y463 I464 K470 R471	Y463-R467 VanDerWaalsContact O-CB 3.32Å; Y463-R467 WeakPolarHBondContact O-CB 3.05Å; Y463-R467 PolarHBondContact O-N 2.97Å; Y463-R467 PolarHBondContact OH-NH1 3.16Å; I464-R467 PolarHBondContact O-N 3.32Å; R467-K470 PolarHBondContact O-N 2.8Å; R467-R471 PolarHBondContact O-N 3.02Å
468	N	57.4	Low	49.7	Very low	75 Å²	75	117.9 Å²	117.9	40%	0.401	54%	0.542	S	S	.	.	H	α-helix	trans	-70.4	-38.4	175.2	-73.7	-19	0	0	0	112.2	I464 I465 R471 N472	I464-N468 WeakPolarHBondContact O-CB 3.2Å; I464-N468 PolarHBondContact O-N 3.06Å; I465-N468 PolarHBondContact O-N 3.35Å; N468-R471 PolarHBondContact O-N 3.45Å; N468-N472 PolarHBondContact O-N 3.36Å
469	K	58.8	Low	49.4	Very low	147 Å²	147	122.3 Å²	122.3	64%	0.639	57%	0.57	S	S	*	*	H	α-helix	trans	-61.5	-45.4	169.9	-87.4	-177.2	175.9	176.2	0	111.7	I465 R466 R471 N472 V473	I465-K469 WeakPolarHBondContact O-CB 3.02Å; I465-K469 PolarHBondContact O-N 3.38Å; R466-K469 PolarHBondContact O-N 3.46Å; K469-R471 VanDerWaalsContact C-N 3.34Å; K469-R471 PolarHBondContact O-N 3.05Å; K469-N472 PolarHBondContact O-N 2.65Å; K469-N472 VanDerWaalsContact O-N 3.16Å; K469-V473 WeakPolarHBondContact O-CG2 3.4Å; K469-V473 PolarHBondContact O-N 3.34Å
470	K	50.8	Low	49.5	Very low	150 Å²	150	128.3 Å²	128.3	65%	0.652	60%	0.597	S	S	*	*	H	α-helix	trans	-60.1	-41	174.7	-86.1	-175.2	175.1	179.5	0	112.2	R466 R467 N474	R466-K470 PolarHBondContact O-N 2.97Å; R467-K470 PolarHBondContact O-N 2.8Å; K470-N474 WeakPolarHBondContact O-CB 3.12Å; K470-N474 VanDerWaalsContact O-CG 3.31Å; K470-N474 PolarHBondContact O-N 2.82Å
471	R	48	Very low	49.7	Very low	159 Å²	159	126.7 Å²	126.7	60%	0.6	60%	0.596	S	S	*	*	H	α-helix	trans	-63.1	-40.3	173.3	-88.5	-177.4	171.2	170.4	-3.3	112.5	R467 N468 K469 R475	R467-R471 PolarHBondContact O-N 3.02Å; N468-R471 PolarHBondContact O-N 3.45Å; K469-R471 VanDerWaalsContact C-N 3.34Å; K469-R471 PolarHBondContact O-N 3.05Å; R471-R475 PolarHBondContact O-N 2.71Å
472	N	45.2	Very low	49.8	Very low	94 Å²	94	126.9 Å²	126.9	50%	0.503	60%	0.599	S	S	.	*	H	α-helix	trans	-73.1	-36.8	178.9	-78.5	-10.1	0	0	0	112.9	N468 K469 R475 M476	N468-N472 PolarHBondContact O-N 3.36Å; K469-N472 PolarHBondContact O-N 2.65Å; K469-N472 VanDerWaalsContact O-N 3.16Å; N472-R475 PolarHBondContact O-N 3.44Å; N472-M476 PolarHBondContact O-N 3.07Å
473	V	49.2	Very low	49.5	Very low	99 Å²	99	129.2 Å²	129.2	60%	0.6	61%	0.61	S	S	*	*	H	α-helix	trans	-65.3	-41.7	172.9	174.1	0	0	0	0	110.5	K469 R475 M476 G477	K469-V473 WeakPolarHBondContact O-CG2 3.4Å; K469-V473 PolarHBondContact O-N 3.34Å; V473-R475 PolarHBondContact O-N 3.4Å; V473-M476 PolarHBondContact O-N 3.42Å; V473-G477 PolarHBondContact O-N 2.76Å
474	N	44.5	Very low	49.1	Very low	117 Å²	117	130.2 Å²	130.2	63%	0.626	62%	0.62	S	S	*	*	H	α-helix	trans	-67.4	-23.6	173.9	-73	0.5	0	0	0	112.9	K470 F478	K470-N474 WeakPolarHBondContact O-CB 3.12Å; K470-N474 VanDerWaalsContact O-CG 3.31Å; K470-N474 PolarHBondContact O-N 2.82Å; N474-F478 WeakPolarHBondContact O-CD2 3.45Å
475	R	38.2	Very low	48.7	Very low	202 Å²	202	134.5 Å²	134.5	76%	0.762	64%	0.64	S	S	*	*	H	α-helix	trans	-80.8	-30.6	171.7	-103.7	-177	175	176.5	-1.8	113.2	R471 N472 V473	R471-R475 PolarHBondContact O-N 2.71Å; N472-R475 PolarHBondContact O-N 3.44Å; V473-R475 PolarHBondContact O-N 3.4Å
476	M	43.1	Very low	47.7	Very low	157 Å²	157	137.9 Å²	137.9	77%	0.773	65%	0.653	S	S	*	*	H	α-helix	trans	-82.2	-21.4	177	-77.7	-179.1	172.4	0	0	113.2	N472 V473 F478	N472-M476 PolarHBondContact O-N 3.07Å; V473-M476 PolarHBondContact O-N 3.42Å; M476-F478 VanDerWaalsContact C-N 3.26Å; M476-F478 PolarHBondContact O-N 3.1Å
477	G	40.5	Very low	46.8	Very low	58 Å²	58	137.6 Å²	137.6	60%	0.598	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	7.2	175	0	0	0	0	0	115.5	V473	V473-G477 PolarHBondContact O-N 2.76Å
478	F	39	Very low	46	Very low	185 Å²	185	138.3 Å²	138.3	81%	0.811	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.9	30.6	177.9	-87.5	-76.9	0	0	0	112.9	N474 M476	N474-F478 WeakPolarHBondContact O-CD2 3.45Å; M476-F478 VanDerWaalsContact C-N 3.26Å; M476-F478 PolarHBondContact O-N 3.1Å
479	N	37.9	Very low	45	Very low	216 Å²	216	144 Å²	144	100%	1.155	70%	0.702	S	S	*	*			trans	-122.1	0	155.4	-80	-13.6	0	0	0	107.8

Retrieved 479 of 479 residues in 84.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).