A0A077ZEF6_TRITR Loading...

Ubiquitin-conjugating enzyme E2 J2

AlphaFold DB , UniProt , Accession A0A077ZEF6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 462 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	33.8	Very low	32.4	Very low	248 Å²	248	161.5 Å²	161.5	100%	1.222	88%	0.876	S	S	*	*				0	88	0	-76.2	172.8	164.9	0	0	108.3
2	T	29.6	Very low	31.9	Very low	148 Å²	148	162.7 Å²	162.7	91%	0.908	87%	0.871	S	S	*	*			trans	-95.7	116.1	179	39.1	0	0	0	0	108.3
3	S	34.6	Very low	31.3	Very low	112 Å²	112	162.2 Å²	162.2	78%	0.783	87%	0.867	S	S	*	*			trans	-144.3	95	164.1	177.7	0	0	0	0	108.8
4	S	30.1	Very low	30.8	Very low	105 Å²	105	157.9 Å²	157.9	73%	0.734	85%	0.849	S	S	*	*			trans	-63	125.4	167.4	54.1	0	0	0	0	111
5	R	34	Very low	30.4	Very low	240 Å²	240	154.3 Å²	154.3	91%	0.906	84%	0.839	S	S	*	*			trans	-137.4	84.3	150.3	-77.4	-169.1	178.3	-177.4	-0.2	108.8	A7	R5-A7 PolarHBondContact O-N 2.98Å
6	T	35.9	Very low	30.1	Very low	133 Å²	133	152.1 Å²	152.1	82%	0.816	83%	0.832	S	S	*	*			trans	-67.6	118.8	167.2	0	0	0	0	0	108.7	K8	T6-K8 PolarHBondContact O-N 3.46Å
7	A	36.4	Very low	30	Very low	101 Å²	101	150.1 Å²	150.1	84%	0.835	83%	0.826	S	S	*	*			trans	-63	114.3	174.6	0	0	0	0	0	110	R5 G9	R5-A7 PolarHBondContact O-N 2.98Å; A7-G9 VanDerWaalsContact C-N 3.3Å; A7-G9 PolarHBondContact O-N 3.25Å
8	K	33.6	Very low	29.7	Very low	211 Å²	211	149.6 Å²	149.6	92%	0.917	82%	0.822	S	S	*	*			trans	-72.9	87.7	167	-77.7	-178.6	176.6	178.6	0	108.5	T6 R10	T6-K8 PolarHBondContact O-N 3.46Å; K8-R10 PolarHBondContact O-N 3.13Å
9	G	32.5	Very low	29.7	Very low	71 Å²	71	151.8 Å²	151.8	73%	0.732	82%	0.823	S	S	*	*			trans	-58.7	120.1	168.1	0	0	0	0	0	110.3	A7 L11	A7-G9 VanDerWaalsContact C-N 3.3Å; A7-G9 PolarHBondContact O-N 3.25Å; G9-L11 PolarHBondContact O-N 3.46Å
10	R	30.2	Very low	29.5	Very low	245 Å²	245	152.7 Å²	152.7	93%	0.925	82%	0.821	S	S	*	*			trans	-57	113.5	-178.5	-156.3	175.1	-165.3	175.8	2.5	109.8	K8 Q12	K8-R10 PolarHBondContact O-N 3.13Å; R10-Q12 PolarHBondContact O-N 2.93Å
11	L	25.9	Very low	29.3	Very low	163 Å²	163	155.3 Å²	155.3	85%	0.853	82%	0.82	S	S	*	*			trans	-55.5	110	170.1	-93	143.8	0	0	0	109.4	G9 L13	G9-L11 PolarHBondContact O-N 3.46Å; L11-L13 PolarHBondContact O-N 3.27Å; L11-L13 VanDerWaalsContact O-N 3.16Å
12	Q	25.8	Very low	29.1	Very low	175 Å²	175	151.1 Å²	151.1	82%	0.818	80%	0.796	S	S	*	*			trans	-65.5	104.5	160.3	-83.1	177.4	-47.2	0	0	107.5	R10 V14	R10-Q12 PolarHBondContact O-N 2.93Å; Q12-V14 HydrophobicContact CB-CG2 4.28Å; Q12-V14 PolarHBondContact O-N 2.81Å
13	L	25.1	Very low	28.9	Very low	157 Å²	157	149.7 Å²	149.7	82%	0.822	79%	0.792	S	S	*	*			trans	-71.1	86.7	160.8	-102.2	147.1	0	0	0	107.4	L11 C15	L11-L13 PolarHBondContact O-N 3.27Å; L11-L13 VanDerWaalsContact O-N 3.16Å; L13-C15 VanDerWaalsContact C-N 3.3Å; L13-C15 PolarHBondContact O-N 3.37Å; L13-C15 VanDerWaalsContact O-N 3.11Å
14	V	24	Very low	28.5	Very low	102 Å²	102	150.4 Å²	150.4	62%	0.618	79%	0.787	S	S	*	*			trans	-72.3	91.7	161.5	179.7	0	0	0	0	106	Q12 T16	Q12-V14 HydrophobicContact CB-CG2 4.28Å; Q12-V14 PolarHBondContact O-N 2.81Å; V14-T16 HydrophobicContact CG1-CG2 3.73Å; V14-T16 PolarHBondContact O-N 2.78Å
15	C	24.9	Very low	28.8	Very low	104 Å²	104	151.4 Å²	151.4	70%	0.703	79%	0.791	S	S	*	*			trans	-74.5	82.1	168.4	-107.6	0	0	0	0	108.8	L13 T17	L13-C15 VanDerWaalsContact C-N 3.3Å; L13-C15 PolarHBondContact O-N 3.37Å; L13-C15 VanDerWaalsContact O-N 3.11Å; C15-T17 PolarHBondContact O-N 3.12Å
16	T	25	Very low	28.6	Very low	118 Å²	118	143.4 Å²	143.4	72%	0.724	78%	0.776	S	S	*	*			trans	-80.3	100.7	157.6	47.8	0	0	0	0	107.8	V14	V14-T16 HydrophobicContact CG1-CG2 3.73Å; V14-T16 PolarHBondContact O-N 2.78Å
17	T	28.6	Very low	28.2	Very low	118 Å²	118	147 Å²	147	72%	0.724	78%	0.776	S	S	*	*			trans	-132.5	98	165.8	51.3	0	0	0	0	110.6	C15	C15-T17 PolarHBondContact O-N 3.12Å
18	N	24.7	Very low	27.8	Very low	142 Å²	142	154.5 Å²	154.5	76%	0.759	78%	0.783	S	S	*	*			trans	45.8	97.4	144	-78	-27.5	0	0	0	118.5
19	K	30	Very low	27.5	Very low	191 Å²	191	147.1 Å²	147.1	83%	0.83	76%	0.758	S	S	*	*	S	Bend	trans	-45.3	143	130.1	-71.4	176.8	175.2	176.3	0	108.4
20	H	26	Very low	27.1	Very low	169 Å²	169	151.3 Å²	151.3	78%	0.782	76%	0.758	S	S	*	*			trans	91.1	68	-175.5	-52.4	-76.8	0	0	0	115.5
21	Y	25.8	Very low	26.9	Very low	208 Å²	208	146.2 Å²	146.2	82%	0.816	75%	0.749	S	S	*	*			trans	-129.3	95.7	140	-100.5	-93.3	0	0	0	110
22	F	28.6	Very low	26.9	Very low	161 Å²	161	149.3 Å²	149.3	71%	0.706	75%	0.749	S	S	*	*			trans	50.7	100.2	143.8	-66.9	-87	0	0	0	119.4	N24	F22-N24 PolarHBondContact O-N 3.39Å
23	S	25.7	Very low	27.1	Very low	118 Å²	118	149 Å²	149	83%	0.825	75%	0.753	S	S	*	*				-41.9	101.5	128.3	46.9	0	0	0	0	110.7
24	N	26.3	Very low	27.2	Very low	126 Å²	126	146.5 Å²	146.5	67%	0.674	74%	0.744	S	S	*	*			trans	-118.2	106.9	163	-165.3	-7.4	0	0	0	108.6	F22 A26	F22-N24 PolarHBondContact O-N 3.39Å; N24-A26 PolarHBondContact O-N 3.46Å; N24-A26 VanDerWaalsContact O-N 3.12Å
25	P	36.4	Very low	27.3	Very low	127 Å²	127	146.2 Å²	146.2	83%	0.825	75%	0.746	S	S	*	*			trans	-73.6	7.6	-177.5	-12.6	27.7	0	0	0	115	Y27	P25-Y27 PolarHBondContact O-N 3.32Å
26	A	29.2	Very low	27.6	Very low	71 Å²	71	146.7 Å²	146.7	59%	0.587	75%	0.746	S	S	*	*			trans	-100.2	60.5	-174.2	0	0	0	0	0	113	N24	N24-A26 PolarHBondContact O-N 3.46Å; N24-A26 VanDerWaalsContact O-N 3.12Å
27	Y	27.8	Very low	28.2	Very low	210 Å²	210	149 Å²	149	82%	0.824	75%	0.754	S	S	*	*			trans	-130.6	58.2	153.6	-125.9	-97	0	0	0	110.5	P25 S29	P25-Y27 PolarHBondContact O-N 3.32Å; Y27-S29 WeakPolarHBondContact CD1-OG 3.43Å; Y27-S29 WeakPolarHBondContact CE1-OG 3.34Å; Y27-S29 PolarHBondContact O-N 2.73Å
28	R	27	Very low	28.3	Very low	257 Å²	257	148.6 Å²	148.6	97%	0.97	75%	0.747	S	S	*	*			trans	-83.9	69.9	156.8	-150.4	-177.9	-162.5	-163	5.1	106.9
29	S	27.3	Very low	29	Very low	56 Å²	56	146.7 Å²	146.7	39%	0.392	74%	0.741	S	S	.	*			trans	-129.5	106.6	170.9	76.8	0	0	0	0	110	Y27	Y27-S29 WeakPolarHBondContact CD1-OG 3.43Å; Y27-S29 WeakPolarHBondContact CE1-OG 3.34Å; Y27-S29 PolarHBondContact O-N 2.73Å
30	H	26	Very low	29	Very low	159 Å²	159	140.4 Å²	140.4	74%	0.736	73%	0.731	S	S	*	*			trans	53.1	80	157.9	-60.2	-78.1	0	0	0	117.8	W32	H30-W32 PolarHBondContact O-N 2.88Å
31	N	24.8	Very low	29.1	Very low	139 Å²	139	140.4 Å²	140.4	74%	0.743	72%	0.724	S	S	*	*			trans	-58.2	86.7	149.7	-85.9	-5.9	0	0	0	109.9	L33	N31-L33 VanDerWaalsContact C-N 3.27Å
32	W	27.1	Very low	29.7	Very low	227 Å²	227	135.1 Å²	135.1	86%	0.86	71%	0.713	S	S	*	*			trans	-89.5	10.2	160.9	-86.2	106.4	0	0	0	112.7	H30	H30-W32 PolarHBondContact O-N 2.88Å
33	L	29.1	Very low	30.3	Very low	170 Å²	170	130 Å²	130	89%	0.89	69%	0.691	S	S	*	*	S	Bend	trans	-115.7	12.4	-178.5	-77.8	163.9	0	0	0	114.8	N31	N31-L33 VanDerWaalsContact C-N 3.27Å
34	T	27.2	Very low	30.8	Very low	103 Å²	103	126.7 Å²	126.7	63%	0.632	67%	0.668	S	S	*	*			trans	-124.8	73.1	172.5	60.8	0	0	0	0	111.1
35	S	26.2	Very low	31.2	Very low	96 Å²	96	127.6 Å²	127.6	67%	0.671	67%	0.67	S	S	*	*	S	Bend	trans	-164.4	113.1	153.2	-174.3	0	0	0	0	111
36	T	31.6	Very low	31.8	Very low	114 Å²	114	126.5 Å²	126.5	70%	0.699	65%	0.654	S	S	*	*			trans	62.5	107.9	143.2	62	0	0	0	0	120.2	N38	T36-N38 VanDerWaalsContact C-N 3.29Å; T36-N38 PolarHBondContact O-N 2.8Å
37	N	37.6	Very low	33.2	Very low	168 Å²	168	127.2 Å²	127.2	90%	0.898	65%	0.648	S	S	*	*	S	Bend	trans	49.5	17.2	135.6	-74.1	-4.6	0	0	0	121.5
38	N	29.7	Very low	34.9	Very low	108 Å²	108	123.2 Å²	123.2	58%	0.578	64%	0.641	S	S	*	*			trans	-111.5	29.2	-175.9	-128.6	25.9	0	0	0	115.3	T36 G40 W41	T36-N38 VanDerWaalsContact C-N 3.29Å; T36-N38 PolarHBondContact O-N 2.8Å; N38-G40 PolarHBondContact O-N 2.88Å; N38-W41 PolarHBondContact ND2-NE1 3.08Å; N38-W41 PolarHBondContact O-N 3.32Å; N38-W41 PolarHBondContact OD1-NE1 3.46Å
39	T	39.8	Very low	37.5	Very low	102 Å²	102	118.4 Å²	118.4	63%	0.626	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	-12.2	175	51	0	0	0	0	113.7	W41 V42	T39-W41 PolarHBondContact O-N 3.38Å; T39-V42 PolarHBondContact O-N 2.9Å
40	G	29.5	Very low	40.2	Very low	59 Å²	59	119.7 Å²	119.7	61%	0.608	62%	0.624	S	S	*	*	H	α-helix	trans	-59	-26.9	172.6	0	0	0	0	0	113.9	N38	N38-G40 PolarHBondContact O-N 2.88Å
41	W	29.4	Very low	43.2	Very low	169 Å²	169	117.3 Å²	117.3	64%	0.64	61%	0.608	S	S	*	*	H	α-helix	trans	-79.5	-27	-179.3	-60.9	90	0	0	0	113.5	N38 T39 S44	N38-W41 PolarHBondContact ND2-NE1 3.08Å; N38-W41 PolarHBondContact O-N 3.32Å; N38-W41 PolarHBondContact OD1-NE1 3.46Å; T39-W41 PolarHBondContact O-N 3.38Å; W41-S44 PolarHBondContact O-OG 3.19Å
42	V	38.1	Very low	46.5	Very low	97 Å²	97	114.1 Å²	114.1	59%	0.588	59%	0.594	S	S	*	*	H	α-helix	trans	-72	-33.7	-176.8	-176.2	0	0	0	0	111.6	T39	T39-V42 PolarHBondContact O-N 2.9Å
43	Q	39.9	Very low	49.6	Very low	53 Å²	53	105.2 Å²	105.2	25%	0.248	56%	0.563	C	S	.	*	H	α-helix	trans	-75.9	-40	179.5	-166.1	92.8	34.4	0	0	112.5	M45 E46 D47	Q43-M45 PolarHBondContact O-N 3.31Å; Q43-E46 PolarHBondContact O-N 2.73Å; Q43-E46 VanDerWaalsContact O-N 3.08Å; Q43-D47 PolarHBondContact O-N 3.15Å; Q43-D47 VanDerWaalsContact O-N 3.14Å
44	S	36.1	Very low	52.8	Low	50 Å²	50	98.6 Å²	98.6	35%	0.35	53%	0.528	S	S	.	.	H	α-helix	trans	-57.1	-36.8	176.4	65.8	0	0	0	0	111.3	W41 D48	W41-S44 PolarHBondContact O-OG 3.19Å; S44-D48 VanDerWaalsContact O-CB 3.23Å; S44-D48 WeakPolarHBondContact O-CB 3.43Å; S44-D48 PolarHBondContact O-N 2.82Å; S44-D48 VanDerWaalsContact O-N 3.11Å; S44-D48 VanDerWaalsContact O-OD2 3.08Å
45	M	36.4	Very low	56.1	Low	145 Å²	145	98 Å²	98	71%	0.714	52%	0.52	S	S	*	.	H	α-helix	trans	-69.6	-33.4	177.1	-71.5	-165.7	168.3	0	0	114.1	Q43 Y49	Q43-M45 PolarHBondContact O-N 3.31Å; M45-Y49 WeakPolarHBondContact O-CB 3.43Å; M45-Y49 PolarHBondContact O-N 3.23Å
46	E	49.2	Very low	59.5	Low	103 Å²	103	94.8 Å²	94.8	48%	0.481	49%	0.494	S	S	.	.	H	α-helix	trans	-78	-34	179.9	-78.8	-169.6	160	0	0	113.2	Q43 G95	Q43-E46 PolarHBondContact O-N 2.73Å; Q43-E46 VanDerWaalsContact O-N 3.08Å; E46-G95 PolarHBondContact O-N 2.92Å
47	D	56.7	Low	62.5	Low	86 Å²	86	93.1 Å²	93.1	46%	0.46	49%	0.487	S	S	.	.	H	α-helix	trans	-80.7	-22.2	177.6	-75.9	-36.3	0	0	0	112.9	Q43 I94	Q43-D47 PolarHBondContact O-N 3.15Å; Q43-D47 VanDerWaalsContact O-N 3.14Å; D47-I94 WeakPolarHBondContact O-CG2 3.17Å
48	D	64.9	Low	65.3	Low	127 Å²	127	89.2 Å²	89.2	68%	0.679	46%	0.463	S	S	*	.	H	α-helix	trans	-94.1	-19.6	177.6	-64	-22.5	0	0	0	113.1	S44 E50	S44-D48 VanDerWaalsContact O-CB 3.23Å; S44-D48 WeakPolarHBondContact O-CB 3.43Å; S44-D48 PolarHBondContact O-N 2.82Å; S44-D48 VanDerWaalsContact O-N 3.11Å; S44-D48 VanDerWaalsContact O-OD2 3.08Å; D48-E50 PolarHBondContact O-N 2.72Å; D48-E50 VanDerWaalsContact O-N 3.17Å
49	Y	80.1	Confident	68.5	Low	155 Å²	155	84 Å²	84	61%	0.608	44%	0.436	S	S	*	.			trans	-76.3	106.1	-178.7	178.6	-105.3	0	0	0	112	M45 R51	M45-Y49 WeakPolarHBondContact O-CB 3.43Å; M45-Y49 PolarHBondContact O-N 3.23Å; Y49-R51 HydrophobicContact CD1-CB 4.4Å; Y49-R51 HydrophobicContact CE1-CB 3.72Å
50	E	85.8	Confident	71.2	Confident	83 Å²	83	80.9 Å²	80.9	39%	0.388	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	112	170.7	-54.8	-157.2	155.9	0	0	111.1	D48 I94 K101	D48-E50 PolarHBondContact O-N 2.72Å; D48-E50 VanDerWaalsContact O-N 3.17Å; E50-I94 HydrophobicContact CG-CD1 4.13Å; E50-I94 HydrophobicContact CG-CG1 4.05Å; E50-K101 IonicContact OE1-NZ 2.75Å; E50-K101 PolarHBondContact OE1-NZ 2.92Å; E50-K101 IonicContact OE2-NZ 2.85Å; E50-K101 PolarHBondContact OE2-NZ 2.86Å
51	R	89	Confident	74.4	Confident	110 Å²	110	78.4 Å²	78.4	42%	0.415	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	122.9	167.9	178.8	-178.3	179.3	-167.6	-4.1	110.3	Y49 L53 V92 S93	Y49-R51 HydrophobicContact CD1-CB 4.4Å; Y49-R51 HydrophobicContact CE1-CB 3.72Å; R51-L53 HydrophobicContact CG-CD2 4.41Å; R51-L53 PolarHBondContact O-N 3.33Å; R51-V92 CarbonylContact O-C 3.43Å; R51-V92 WeakPolarHBondContact O-CA 3.37Å; R51-S93 WeakPolarHBondContact CB-OG 3.29Å; R51-S93 PolarHBondContact N-O 3.42Å; R51-S93 PolarHBondContact O-N 2.75Å; R51-S93 PolarHBondContact O-OG 2.85Å
52	V	93.3	Very high	77.6	Confident	71 Å²	71	70.7 Å²	70.7	43%	0.43	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	125.4	172.6	-177.8	0	0	0	0	110	I55 R90 V92	V52-I55 HydrophobicContact CG1-CD1 3.76Å; V52-I55 HydrophobicContact CG1-CG1 3.6Å; V52-R90 HydrophobicContact CG1-CG 4.47Å; V52-V92 HydrophobicContact CG2-CG1 4.34Å
53	L	93.1	Very high	80.2	Confident	41 Å²	41	76 Å²	76	22%	0.215	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-38.4	177.1	-59.8	-178.4	0	0	0	112.2	R51 L91 V98 H168	R51-L53 HydrophobicContact CG-CD2 4.41Å; R51-L53 PolarHBondContact O-N 3.33Å; L53-L91 HydrophobicContact CB-CB 4.27Å; L53-L91 HydrophobicContact CB-CD2 3.91Å; L53-L91 HydrophobicContact CB-CG 4.09Å; L53-L91 HydrophobicContact CD1-CD2 3.97Å; L53-L91 HydrophobicContact CD1-CG 4.13Å; L53-L91 PolarHBondContact N-O 2.85Å; L53-V98 HydrophobicContact CD1-CG1 4.27Å; L53-V98 HydrophobicContact CD1-CG2 4.22Å; L53-H168 HydrophobicContact CD1-CB 3.71Å; L53-H168 HydrophobicContact CD2-CB 4.47Å
54	L	95.8	Very high	82.5	Confident	30 Å²	30	74.5 Å²	74.5	16%	0.157	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	143.7	-177.9	-173	67.2	0	0	0	110.7	K56 R90 L91 D160 L161 A164	L54-K56 HydrophobicContact CD2-CG 4.19Å; L54-K56 HydrophobicContact CG-CG 4.24Å; L54-R90 CarbonylContact O-C 3.11Å; L54-R90 WeakPolarHBondContact O-CA 3.24Å; L54-L91 HydrophobicContact CB-CB 3.85Å; L54-L91 HydrophobicContact CB-CD2 4.38Å; L54-L91 PolarHBondContact N-O 3.29Å; L54-L91 PolarHBondContact O-N 2.65Å; L54-D160 HydrophobicContact CD1-CB 4.03Å; L54-D160 HydrophobicContact CD2-CB 4.33Å; L54-L161 VanDerWaalsContact CD2-CA 3.49Å; L54-L161 HydrophobicContact CD2-CB 4.05Å; L54-L161 HydrophobicContact CD2-CD1 4.22Å; L54-A164 HydrophobicContact CB-CB 4.07Å; L54-A164 HydrophobicContact CD2-CB 4.38Å
55	I	96.8	Very high	84.6	Confident	92 Å²	92	75.9 Å²	75.9	47%	0.472	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	129.9	167.3	-62	173	0	0	0	108	V52 R88 A89 R90	V52-I55 HydrophobicContact CG1-CD1 3.76Å; V52-I55 HydrophobicContact CG1-CG1 3.6Å; I55-R88 HydrophobicContact CG2-CG 4.14Å; I55-A89 WeakPolarHBondContact CA-O 3.44Å; I55-R90 HydrophobicContact CG1-CG 4.02Å
56	K	96.5	Very high	86.1	Confident	28 Å²	28	76.3 Å²	76.3	12%	0.122	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	118.8	171.2	-66.8	-62.6	-178.4	178	0	109.3	L54 E58 V59 R88 A89 F152 D157 D160	L54-K56 HydrophobicContact CD2-CG 4.19Å; L54-K56 HydrophobicContact CG-CG 4.24Å; K56-E58 PolarHBondContact O-N 2.76Å; K56-V59 HydrophobicContact CB-CG1 4.3Å; K56-R88 CarbonylContact O-C 3.48Å; K56-R88 WeakPolarHBondContact O-CA 3.5Å; K56-R88 VanDerWaalsContact O-CG 3.32Å; K56-R88 WeakPolarHBondContact O-CG 3.42Å; K56-A89 PolarHBondContact N-O 2.77Å; K56-A89 PolarHBondContact O-N 3.27Å; K56-F152 HydrophobicContact CB-CE1 4.1Å; K56-F152 HydrophobicContact CG-CD1 4.47Å; K56-F152 HydrophobicContact CG-CE1 3.96Å; K56-D157 HydrophobicContact CD-CB 3.95Å; K56-D157 WeakPolarHBondContact CD-OD1 3.23Å; K56-D157 VanDerWaalsContact CE-OD1 3.29Å; K56-D157 WeakPolarHBondContact CE-OD1 3.34Å; K56-D157 HydrophobicContact CG-CB 4.46Å; K56-D157 IonicContact NZ-OD1 2.64Å; K56-D157 PolarHBondContact NZ-OD1 3.17Å; K56-D160 WeakPolarHBondContact CE-OD2 3.39Å; K56-D160 IonicContact NZ-OD2 3.14Å; K56-D160 PolarHBondContact NZ-OD2 3.06Å
57	S	94.6	Very high	86.8	Confident	79 Å²	79	74.6 Å²	74.6	55%	0.552	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67	-23.5	-171	51.2	0	0	0	0	114.4
58	E	96.3	Very high	86.7	Confident	85 Å²	85	74.1 Å²	74.1	40%	0.397	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	121.3	-177.8	-173.9	174.7	-116.6	0	0	110	K56 F60 V86 G87	K56-E58 PolarHBondContact O-N 2.76Å; E58-F60 HydrophobicContact CG-CE1 4.36Å; E58-F60 HydrophobicContact CG-CE2 4.21Å; E58-F60 HydrophobicContact CG-CZ 3.84Å; E58-V86 HydrophobicContact CG-CG1 4.06Å; E58-G87 CarbonylContact C-O 3.5Å; E58-G87 VanDerWaalsContact CA-O 3.23Å; E58-G87 WeakPolarHBondContact CA-O 3.4Å
59	V	97.3	Very high	86.5	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	151.2	170.6	-64.4	0	0	0	0	109.3	K56 W85 V86 G87 A89 L102 L150 G151 F152	K56-V59 HydrophobicContact CB-CG1 4.3Å; V59-W85 HydrophobicContact CG2-CZ3 4.05Å; V59-V86 WeakPolarHBondContact O-CA 3.44Å; V59-G87 WeakPolarHBondContact CG2-O 3.23Å; V59-G87 PolarHBondContact N-O 3.27Å; V59-G87 PolarHBondContact O-N 2.88Å; V59-G87 VanDerWaalsContact O-N 3.11Å; V59-A89 HydrophobicContact CB-CB 4.36Å; V59-A89 HydrophobicContact CG1-CB 3.55Å; V59-A89 HydrophobicContact CG2-CB 3.91Å; V59-L102 HydrophobicContact CG2-CD2 4.15Å; V59-L150 HydrophobicContact CB-CD1 3.91Å; V59-L150 HydrophobicContact CG1-CD1 4.46Å; V59-L150 HydrophobicContact CG2-CD1 4.06Å; V59-G151 WeakPolarHBondContact CA-O 3.43Å; V59-F152 HydrophobicContact CG1-CD1 3.78Å; V59-F152 HydrophobicContact CG1-CE1 3.47Å; V59-F152 VanDerWaalsContact CG1-CE1 3.47Å; V59-F152 HydrophobicContact CG1-CZ 4.2Å
60	F	97.4	Very high	85.8	Confident	36 Å²	36	71.9 Å²	71.9	16%	0.158	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	130.8	-178.3	-55.8	-78.9	0	0	0	109.6	E58 Y62 P83 V86 L150 G151 A153	E58-F60 HydrophobicContact CG-CE1 4.36Å; E58-F60 HydrophobicContact CG-CE2 4.21Å; E58-F60 HydrophobicContact CG-CZ 3.84Å; F60-Y62 HydrophobicContact CB-CD2 4.49Å; F60-Y62 HydrophobicContact CB-CE2 3.53Å; F60-Y62 WeakPolarHBondContact CB-OH 3.31Å; F60-P83 HydrophobicContact CB-CB 4.01Å; F60-P83 HydrophobicContact CD1-CB 3.91Å; F60-P83 HydrophobicContact CD1-CG 3.78Å; F60-P83 HydrophobicContact CE1-CG 4.45Å; F60-P83 HydrophobicContact CG-CB 4.42Å; F60-V86 HydrophobicContact CD1-CB 4.49Å; F60-V86 HydrophobicContact CD1-CG1 4.11Å; F60-V86 HydrophobicContact CD1-CG2 3.68Å; F60-V86 HydrophobicContact CE1-CG1 3.98Å; F60-V86 HydrophobicContact CE1-CG2 4.02Å; F60-L150 CarbonylContact O-C 3.58Å; F60-L150 WeakPolarHBondContact O-CA 3.35Å; F60-G151 PolarHBondContact N-O 3.11Å; F60-G151 PolarHBondContact O-N 3.45Å; F60-A153 HydrophobicContact CE2-CB 3.83Å; F60-A153 HydrophobicContact CZ-CB 4.44Å
61	V	96.9	Very high	85.1	Confident	6 Å²	6	77.3 Å²	77.3	4%	0.036	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	134.9	176	168.3	0	0	0	0	109.2	D84 W85 L102 F111 I148 G149 L150	V61-D84 PolarHBondContact O-N 3.49Å; V61-W85 HydrophobicContact CB-CB 4.11Å; V61-W85 HydrophobicContact CB-CE3 4.01Å; V61-W85 HydrophobicContact CG2-CE3 3.48Å; V61-W85 VanDerWaalsContact CG2-CE3 3.48Å; V61-W85 HydrophobicContact CG2-CZ3 3.97Å; V61-W85 PolarHBondContact N-O 2.83Å; V61-W85 PolarHBondContact O-N 3.47Å; V61-L102 HydrophobicContact CG2-CD1 3.79Å; V61-F111 HydrophobicContact CG1-CE1 4.46Å; V61-I148 HydrophobicContact CB-CD1 4.43Å; V61-I148 HydrophobicContact CG1-CB 4.37Å; V61-I148 HydrophobicContact CG1-CD1 3.59Å; V61-I148 HydrophobicContact CG2-CD1 4.01Å; V61-G149 CarbonylContact C-O 3.17Å; V61-G149 WeakPolarHBondContact CA-O 3.41Å; V61-L150 HydrophobicContact CG2-CD1 4.3Å
62	Y	95.9	Very high	84.5	Confident	8 Å²	8	73.7 Å²	73.7	3%	0.031	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	138	-178.9	-56.6	-83.8	0	0	0	110.4	F60 I64 W78 K79 L80 P83 D84 Y133 G149	F60-Y62 HydrophobicContact CB-CD2 4.49Å; F60-Y62 HydrophobicContact CB-CE2 3.53Å; F60-Y62 WeakPolarHBondContact CB-OH 3.31Å; Y62-I64 PolarHBondContact O-N 2.84Å; Y62-W78 AromaticContact CD2-CE3 3.85Å; Y62-W78 HydrophobicContact CD2-CE3 3.85Å; Y62-W78 HydrophobicContact CD2-CZ3 4.19Å; Y62-W78 HydrophobicContact CG-CE3 4.02Å; Y62-K79 WeakPolarHBondContact CE1-O 3.28Å; Y62-L80 HydrophobicContact CE1-CD2 4.24Å; Y62-P83 HydrophobicContact CD1-CB 4.41Å; Y62-P83 HydrophobicContact CE1-CB 3.81Å; Y62-D84 WeakPolarHBondContact CA-OD2 3.38Å; Y62-Y133 HydrophobicContact CE2-CD1 4.06Å; Y62-Y133 AromaticContact CE2-CE1 3.73Å; Y62-Y133 HydrophobicContact CE2-CE1 3.73Å; Y62-G149 PolarHBondContact N-O 2.96Å; Y62-G149 PolarHBondContact O-N 2.75Å
63	R	92	Very high	84.2	Confident	209 Å²	209	72.1 Å²	72.1	79%	0.789	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-73.9	122.4	169.7	-174.2	177.2	-179	176.2	1	109.5	D84	R63-D84 WeakPolarHBondContact CB-OD2 3.45Å; R63-D84 PolarHBondContact N-OD2 2.85Å
64	I	88.9	Confident	84	Confident	21 Å²	21	76.1 Å²	76.1	11%	0.108	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-99.5	138.6	176.2	64.1	177.1	0	0	0	110.8	Y62 W78 V135 W147	Y62-I64 PolarHBondContact O-N 2.84Å; I64-W78 HydrophobicContact CG2-CD2 4.22Å; I64-W78 HydrophobicContact CG2-CH2 4.41Å; I64-W78 HydrophobicContact CG2-CZ2 3.7Å; I64-V135 HydrophobicContact CD1-CG1 3.76Å; I64-V135 HydrophobicContact CD1-CG2 4.22Å; I64-W147 HydrophobicContact CD1-CB 3.67Å; I64-W147 HydrophobicContact CG1-CB 4.44Å; I64-W147 WeakPolarHBondContact CG1-O 3.44Å
65	S	79.1	Confident	83.6	Confident	78 Å²	78	74.8 Å²	74.8	55%	0.545	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-71.4	137.4	166.5	57.5	0	0	0	0	109.4	Q67	S65-Q67 PolarHBondContact O-N 2.75Å
66	V	69.4	Low	83.2	Confident	154 Å²	154	74 Å²	74	93%	0.933	42%	0.417	S	S	*	.			trans	-62	105.4	174.2	-166.3	0	0	0	0	108.4
67	Q	63.2	Low	82.7	Confident	68 Å²	68	77.4 Å²	77.4	32%	0.318	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-90.7	153.3	-178.1	-71.2	-165.1	-52.8	0	0	111.9	S65 G72 N77	S65-Q67 PolarHBondContact O-N 2.75Å; Q67-G72 PolarHBondContact OE1-O 2.85Å; Q67-N77 PolarHBondContact NE2-ND2 2.8Å
68	A	54.1	Low	82.5	Confident	76 Å²	76	74.6 Å²	74.6	63%	0.628	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-65.3	138.4	176.6	0	0	0	0	0	111.9	G70	A68-G70 PolarHBondContact O-N 2.79Å
69	V	60.2	Low	82.1	Confident	156 Å²	156	78.4 Å²	78.4	95%	0.945	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.3	127.8	-178.6	-178.5	0	0	0	0	111.5
70	G	65.6	Low	81.7	Confident	79 Å²	79	81.1 Å²	81.1	81%	0.814	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.5	-11.5	169.9	0	0	0	0	0	117.3	A68	A68-G70 PolarHBondContact O-N 2.79Å
71	R	71	Confident	81.4	Confident	197 Å²	197	86.7 Å²	86.7	74%	0.743	48%	0.475	S	S	*	.	S	Bend	trans	-84.6	-9.9	179.6	-69.6	-166.6	-164.6	-148	3.7	115.4
72	G	78	Confident	81.1	Confident	34 Å²	34	92.1 Å²	92.1	35%	0.351	50%	0.503	S	S	.	.			trans	60.6	158.8	-173.2	0	0	0	0	0	113	Q67	Q67-G72 PolarHBondContact OE1-O 2.85Å
73	H	85.5	Confident	81.1	Confident	37 Å²	37	93.6 Å²	93.6	17%	0.171	51%	0.514	C	S	.	.			trans	-81.9	139.8	-179.7	-66	-75.8	0	0	0	111	W78 E125 V127 L128 V135	H73-W78 HydrophobicContact CB-CZ2 4.41Å; H73-E125 IonicContact CD2-OE2 2.65Å; H73-V127 HydrophobicContact CB-CG2 4.42Å; H73-V127 WeakPolarHBondContact O-CG1 3.5Å; H73-L128 PolarHBondContact O-N 3.31Å; H73-V135 HydrophobicContact CB-CG2 3.63Å; H73-V135 VanDerWaalsContact CG-CG2 3.49Å
74	R	88.7	Confident	81.3	Confident	126 Å²	126	88.6 Å²	88.6	48%	0.475	50%	0.503	S	S	.	.			trans	-127.6	128	174.9	-66.5	179.4	-178.6	-101.6	-0.3	110.1	A76 N77 W78 D129	R74-A76 VanDerWaalsContact C-N 3.29Å; R74-A76 PolarHBondContact O-N 2.77Å; R74-N77 PolarHBondContact O-N 2.78Å; R74-W78 PolarHBondContact O-NE1 3Å; R74-D129 WeakPolarHBondContact CA-OD1 3.23Å
75	A	88.9	Confident	81.6	Confident	1 Å²	1	89.7 Å²	89.7	1%	0.008	51%	0.506	C	S	.	.	G	3₁₀ helix	trans	-69	-27.4	-179.5	0	0	0	0	0	112.2	N77 W78 L80 V127 D129 Y133	A75-N77 PolarHBondContact O-N 3.4Å; A75-N77 VanDerWaalsContact O-N 3.08Å; A75-W78 HydrophobicContact CB-CD2 4.38Å; A75-W78 HydrophobicContact CB-CE3 4.18Å; A75-W78 HydrophobicContact CB-CZ3 4.48Å; A75-W78 VanDerWaalsContact O-CB 3.29Å; A75-W78 WeakPolarHBondContact O-CB 3.4Å; A75-W78 PolarHBondContact O-N 3.14Å; A75-L80 HydrophobicContact CB-CD2 4.33Å; A75-V127 HydrophobicContact CB-CG1 3.97Å; A75-V127 VanDerWaalsContact N-CG1 3.25Å; A75-D129 PolarHBondContact N-OD1 2.97Å; A75-D129 PolarHBondContact N-OD2 3.22Å; A75-D129 VanDerWaalsContact N-OD2 3.14Å; A75-Y133 HydrophobicContact CB-CD1 4.48Å; A75-Y133 HydrophobicContact CB-CD2 3.38Å; A75-Y133 HydrophobicContact CB-CE2 3.83Å; A75-Y133 HydrophobicContact CB-CG 3.76Å
76	A	87.1	Confident	82.5	Confident	76 Å²	76	88.9 Å²	88.9	63%	0.628	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-57.7	-22.2	174.5	0	0	0	0	0	114	R74 W78 D129	R74-A76 VanDerWaalsContact C-N 3.29Å; R74-A76 PolarHBondContact O-N 2.77Å; A76-W78 VanDerWaalsContact C-N 3.28Å; A76-D129 WeakPolarHBondContact CB-OD2 3.32Å; A76-D129 PolarHBondContact N-OD2 3Å
77	N	87.4	Confident	83.8	Confident	99 Å²	99	81.6 Å²	81.6	53%	0.529	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	-84.2	-4.4	176.3	-63.1	-26.2	0	0	0	112.8	Q67 R74 A75	Q67-N77 PolarHBondContact NE2-ND2 2.8Å; R74-N77 PolarHBondContact O-N 2.78Å; A75-N77 PolarHBondContact O-N 3.4Å; A75-N77 VanDerWaalsContact O-N 3.08Å
78	W	89.9	Confident	85.4	Confident	20 Å²	20	81.7 Å²	81.7	8%	0.076	45%	0.451	C	S	.	.	S	Bend	trans	-97.8	155	-177.5	-51.2	-10	0	0	0	109.5	Y62 I64 H73 R74 A75 A76 L80 V127 Y133 V135	Y62-W78 AromaticContact CD2-CE3 3.85Å; Y62-W78 HydrophobicContact CD2-CE3 3.85Å; Y62-W78 HydrophobicContact CD2-CZ3 4.19Å; Y62-W78 HydrophobicContact CG-CE3 4.02Å; I64-W78 HydrophobicContact CG2-CD2 4.22Å; I64-W78 HydrophobicContact CG2-CH2 4.41Å; I64-W78 HydrophobicContact CG2-CZ2 3.7Å; H73-W78 HydrophobicContact CB-CZ2 4.41Å; R74-W78 PolarHBondContact O-NE1 3Å; A75-W78 HydrophobicContact CB-CD2 4.38Å; A75-W78 HydrophobicContact CB-CE3 4.18Å; A75-W78 HydrophobicContact CB-CZ3 4.48Å; A75-W78 VanDerWaalsContact O-CB 3.29Å; A75-W78 WeakPolarHBondContact O-CB 3.4Å; A75-W78 PolarHBondContact O-N 3.14Å; A76-W78 VanDerWaalsContact C-N 3.28Å; W78-L80 HydrophobicContact CB-CD2 3.98Å; W78-L80 HydrophobicContact CE3-CD2 4.42Å; W78-L80 PolarHBondContact O-N 3.47Å; W78-V127 HydrophobicContact CH2-CG2 3.45Å; W78-V127 VanDerWaalsContact CH2-CG2 3.45Å; W78-V127 HydrophobicContact CZ2-CG2 3.87Å; W78-V127 HydrophobicContact CZ3-CG2 4.35Å; W78-Y133 HydrophobicContact CE3-CD1 4.24Å; W78-Y133 AromaticContact CZ3-CD1 3.91Å; W78-Y133 HydrophobicContact CZ3-CD1 3.91Å; W78-Y133 HydrophobicContact CZ3-CG 4.07Å; W78-V135 HydrophobicContact CH2-CG2 3.82Å; W78-V135 HydrophobicContact CZ2-CG2 3.63Å
79	K	87.4	Confident	87.5	Confident	165 Å²	165	78.3 Å²	78.3	72%	0.717	42%	0.423	S	S	*	.			trans	-78	75.7	174.5	-65.3	-177.5	-179.7	-178.9	0	109.9	Y62 D81 N82	Y62-K79 WeakPolarHBondContact CE1-O 3.28Å; K79-D81 PolarHBondContact O-N 3.23Å; K79-N82 CarbonylContact O-C 3.58Å; K79-N82 VanDerWaalsContact O-C 3.32Å; K79-N82 PolarHBondContact O-N 3.33Å; K79-N82 VanDerWaalsContact O-N 3.13Å
80	L	88.9	Confident	89.2	Confident	57 Å²	57	74.1 Å²	74.1	30%	0.298	39%	0.39	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-31.2	-174	-59.8	-176.4	0	0	0	113.5	Y62 A75 W78 N82 Y133	Y62-L80 HydrophobicContact CE1-CD2 4.24Å; A75-L80 HydrophobicContact CB-CD2 4.33Å; W78-L80 HydrophobicContact CB-CD2 3.98Å; W78-L80 HydrophobicContact CE3-CD2 4.42Å; W78-L80 PolarHBondContact O-N 3.47Å; L80-N82 VanDerWaalsContact C-N 3.29Å; L80-N82 PolarHBondContact O-N 3.42Å; L80-Y133 HydrophobicContact CD1-CE2 4.47Å; L80-Y133 HydrophobicContact CD2-CE1 3.86Å; L80-Y133 HydrophobicContact CD2-CE2 4.38Å
81	D	90.8	Very high	90.7	Very high	153 Å²	153	70.4 Å²	70.4	82%	0.818	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-25.5	179.2	-55.7	-43.8	0	0	0	112.8	K79	K79-D81 PolarHBondContact O-N 3.23Å
82	N	92.1	Very high	91.8	Very high	120 Å²	120	61 Å²	61	64%	0.642	32%	0.316	S	S	*	.	S	Bend	trans	-127.7	80.1	-175.1	-70.2	-25.1	0	0	0	109.9	K79 L80	K79-N82 CarbonylContact O-C 3.58Å; K79-N82 VanDerWaalsContact O-C 3.32Å; K79-N82 PolarHBondContact O-N 3.33Å; K79-N82 VanDerWaalsContact O-N 3.13Å; L80-N82 VanDerWaalsContact C-N 3.29Å; L80-N82 PolarHBondContact O-N 3.42Å
83	P	95	Very high	92.3	Very high	40 Å²	40	59.7 Å²	59.7	26%	0.26	30%	0.302	S	S	.	.			trans	-60.2	137.9	173.3	27.6	-35.8	0	0	0	110.7	F60 Y62 W85 V86	F60-P83 HydrophobicContact CB-CB 4.01Å; F60-P83 HydrophobicContact CD1-CB 3.91Å; F60-P83 HydrophobicContact CD1-CG 3.78Å; F60-P83 HydrophobicContact CE1-CG 4.45Å; F60-P83 HydrophobicContact CG-CB 4.42Å; Y62-P83 HydrophobicContact CD1-CB 4.41Å; Y62-P83 HydrophobicContact CE1-CB 3.81Å; P83-W85 VanDerWaalsContact C-N 3.27Å; P83-W85 PolarHBondContact O-N 2.85Å; P83-V86 HydrophobicContact CB-CG2 4.05Å; P83-V86 HydrophobicContact CG-CG2 3.66Å
84	D	95.3	Very high	92.3	Very high	104 Å²	104	59.8 Å²	59.8	56%	0.556	30%	0.303	S	S	*	.	S	Bend	trans	-69.9	-27.8	179.2	-66.2	-89.9	0	0	0	111.8	V61 Y62 R63	V61-D84 PolarHBondContact O-N 3.49Å; Y62-D84 WeakPolarHBondContact CA-OD2 3.38Å; R63-D84 WeakPolarHBondContact CB-OD2 3.45Å; R63-D84 PolarHBondContact N-OD2 2.85Å
85	W	96.5	Very high	91.5	Very high	44 Å²	44	55.8 Å²	55.8	17%	0.167	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	148	173.8	176.8	90.6	0	0	0	111.2	V59 V61 P83 G87 L102 E103 F111	V59-W85 HydrophobicContact CG2-CZ3 4.05Å; V61-W85 HydrophobicContact CB-CB 4.11Å; V61-W85 HydrophobicContact CB-CE3 4.01Å; V61-W85 HydrophobicContact CG2-CE3 3.48Å; V61-W85 VanDerWaalsContact CG2-CE3 3.48Å; V61-W85 HydrophobicContact CG2-CZ3 3.97Å; V61-W85 PolarHBondContact N-O 2.83Å; V61-W85 PolarHBondContact O-N 3.47Å; P83-W85 VanDerWaalsContact C-N 3.27Å; P83-W85 PolarHBondContact O-N 2.85Å; W85-G87 VanDerWaalsContact CH2-CA 3.43Å; W85-L102 HydrophobicContact CH2-CB 3.92Å; W85-L102 HydrophobicContact CZ3-CB 4.06Å; W85-L102 HydrophobicContact CZ3-CD1 4.47Å; W85-E103 VanDerWaalsContact CH2-O 3.28Å; W85-E103 WeakPolarHBondContact CH2-O 3.4Å; W85-E103 WeakPolarHBondContact CZ2-O 3.33Å; W85-F111 HydrophobicContact CB-CE1 4.46Å; W85-F111 HydrophobicContact CB-CZ 4.21Å; W85-F111 AromaticContact CD1-CE2 3.98Å; W85-F111 AromaticContact CD2-CD1 3.94Å; W85-F111 HydrophobicContact CD2-CD1 3.94Å; W85-F111 HydrophobicContact CD2-CD2 4.49Å; W85-F111 HydrophobicContact CD2-CE1 4.12Å; W85-F111 HydrophobicContact CD2-CG 4.14Å; W85-F111 HydrophobicContact CD2-CZ 4.46Å; W85-F111 AromaticContact CE2-CG 3.76Å; W85-F111 HydrophobicContact CE3-CD1 4.16Å; W85-F111 HydrophobicContact CE3-CE1 4.37Å; W85-F111 HydrophobicContact CG-CD1 4.4Å; W85-F111 HydrophobicContact CG-CD2 4.41Å; W85-F111 HydrophobicContact CG-CE1 4.19Å; W85-F111 HydrophobicContact CG-CE2 4.2Å; W85-F111 HydrophobicContact CG-CZ 4.08Å; W85-F111 HydrophobicContact CH2-CB 4.22Å; W85-F111 HydrophobicContact CH2-CD1 4.4Å; W85-F111 HydrophobicContact CZ2-CB 3.67Å; W85-F111 HydrophobicContact CZ2-CD1 4.24Å; W85-F111 AromaticContact CZ2-CG 3.96Å; W85-F111 HydrophobicContact CZ2-CG 3.96Å; W85-F111 HydrophobicContact CZ3-CD1 4.37Å; W85-F111 AromaticContact NE1-CD2 3.84Å; W85-F111 AromaticContact NE1-CG 3.97Å
86	V	96.7	Very high	90.6	Very high	60 Å²	60	59.3 Å²	59.3	36%	0.364	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	134.5	176	-172.7	0	0	0	0	108.9	E58 V59 F60 P83	E58-V86 HydrophobicContact CG-CG1 4.06Å; V59-V86 WeakPolarHBondContact O-CA 3.44Å; F60-V86 HydrophobicContact CD1-CB 4.49Å; F60-V86 HydrophobicContact CD1-CG1 4.11Å; F60-V86 HydrophobicContact CD1-CG2 3.68Å; F60-V86 HydrophobicContact CE1-CG1 3.98Å; F60-V86 HydrophobicContact CE1-CG2 4.02Å; P83-V86 HydrophobicContact CB-CG2 4.05Å; P83-V86 HydrophobicContact CG-CG2 3.66Å
87	G	97	Very high	90.1	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.01	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.1	-153.2	176.8	0	0	0	0	0	112.6	E58 V59 W85	E58-G87 CarbonylContact C-O 3.5Å; E58-G87 VanDerWaalsContact CA-O 3.23Å; E58-G87 WeakPolarHBondContact CA-O 3.4Å; V59-G87 WeakPolarHBondContact CG2-O 3.23Å; V59-G87 PolarHBondContact N-O 3.27Å; V59-G87 PolarHBondContact O-N 2.88Å; V59-G87 VanDerWaalsContact O-N 3.11Å; W85-G87 VanDerWaalsContact CH2-CA 3.43Å
88	R	97.3	Very high	90.3	Very high	70 Å²	70	56.1 Å²	56.1	26%	0.264	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	136.3	-176.8	-178.8	174.5	70.9	-162.9	0.8	110.5	I55 K56 E103	I55-R88 HydrophobicContact CG2-CG 4.14Å; K56-R88 CarbonylContact O-C 3.48Å; K56-R88 WeakPolarHBondContact O-CA 3.5Å; K56-R88 VanDerWaalsContact O-CG 3.32Å; K56-R88 WeakPolarHBondContact O-CG 3.42Å; R88-E103 IonicContact CZ-OE2 2.98Å; R88-E103 PolarHBondContact N-O 2.81Å; R88-E103 IonicContact NE-OE2 3.44Å; R88-E103 PolarHBondContact NE-OE2 2.67Å; R88-E103 IonicContact NH2-OE2 3.64Å; R88-E103 PolarHBondContact NH2-OE2 3.39Å; R88-E103 PolarHBondContact O-N 2.88Å
89	A	97.6	Very high	90.5	Very high	5 Å²	5	56.2 Å²	56.2	4%	0.041	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	133.7	168.2	0	0	0	0	0	110.7	I55 K56 V59 L100 L102	I55-A89 WeakPolarHBondContact CA-O 3.44Å; K56-A89 PolarHBondContact N-O 2.77Å; K56-A89 PolarHBondContact O-N 3.27Å; V59-A89 HydrophobicContact CB-CB 4.36Å; V59-A89 HydrophobicContact CG1-CB 3.55Å; V59-A89 HydrophobicContact CG2-CB 3.91Å; A89-L100 HydrophobicContact CB-CD1 4.22Å; A89-L102 HydrophobicContact CB-CD2 4.06Å
90	R	96.7	Very high	90.9	Very high	68 Å²	68	48.5 Å²	48.5	26%	0.257	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	117.4	175.9	-177.8	161.7	61.8	156.2	0.8	109.8	V52 L54 I55 V92 K101 E103	V52-R90 HydrophobicContact CG1-CG 4.47Å; L54-R90 CarbonylContact O-C 3.11Å; L54-R90 WeakPolarHBondContact O-CA 3.24Å; I55-R90 HydrophobicContact CG1-CG 4.02Å; R90-V92 HydrophobicContact CG-CG1 3.9Å; R90-K101 PolarHBondContact N-O 3.08Å; R90-K101 PolarHBondContact O-N 2.82Å; R90-E103 IonicContact CZ-OE1 3.48Å; R90-E103 IonicContact CZ-OE2 3.32Å; R90-E103 IonicContact NE-OE1 2.7Å; R90-E103 PolarHBondContact NE-OE1 2.77Å; R90-E103 IonicContact NE-OE2 2.97Å; R90-E103 PolarHBondContact NE-OE2 3.11Å; R90-E103 VanDerWaalsContact NH2-CD 3.35Å; R90-E103 IonicContact NH2-OE1 3.98Å; R90-E103 PolarHBondContact NH2-OE1 2.68Å; R90-E103 IonicContact NH2-OE2 3.19Å; R90-E103 PolarHBondContact NH2-OE2 3.06Å
91	L	97.1	Very high	91.3	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.01	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	119.7	175.2	-168.6	70.5	0	0	0	108.7	L53 L54 V98 L100 I116 L161 A164 L165	L53-L91 HydrophobicContact CB-CB 4.27Å; L53-L91 HydrophobicContact CB-CD2 3.91Å; L53-L91 HydrophobicContact CB-CG 4.09Å; L53-L91 HydrophobicContact CD1-CD2 3.97Å; L53-L91 HydrophobicContact CD1-CG 4.13Å; L53-L91 PolarHBondContact N-O 2.85Å; L54-L91 HydrophobicContact CB-CB 3.85Å; L54-L91 HydrophobicContact CB-CD2 4.38Å; L54-L91 PolarHBondContact N-O 3.29Å; L54-L91 PolarHBondContact O-N 2.65Å; L91-V98 HydrophobicContact CD1-CG1 3.39Å; L91-V98 HydrophobicContact CD2-CG1 4.36Å; L91-V98 HydrophobicContact CG-CG1 3.83Å; L91-L100 HydrophobicContact CB-CD1 4.36Å; L91-L100 HydrophobicContact CD1-CB 3.91Å; L91-L100 HydrophobicContact CD1-CD1 4.06Å; L91-I116 HydrophobicContact CD1-CD1 4.36Å; L91-L161 HydrophobicContact CD2-CD1 4.3Å; L91-A164 HydrophobicContact CD2-CB 3.82Å; L91-L165 HydrophobicContact CD1-CD2 4.09Å; L91-L165 HydrophobicContact CD2-CD2 4Å; L91-L165 HydrophobicContact CD2-CG 4.17Å
92	V	94.5	Very high	91.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	145.6	178.1	-59.6	0	0	0	0	110.6	R51 V52 R90 V98 V99 K101	R51-V92 CarbonylContact O-C 3.43Å; R51-V92 WeakPolarHBondContact O-CA 3.37Å; V52-V92 HydrophobicContact CG2-CG1 4.34Å; R90-V92 HydrophobicContact CG-CG1 3.9Å; V92-V98 CarbonylContact O-C 3.32Å; V92-V98 WeakPolarHBondContact O-CA 3.34Å; V92-V99 HydrophobicContact CG2-CB 4.01Å; V92-V99 WeakPolarHBondContact CG2-O 3.45Å; V92-V99 PolarHBondContact N-O 2.82Å; V92-V99 PolarHBondContact O-N 2.81Å; V92-K101 HydrophobicContact CG2-CD 4.16Å; V92-K101 HydrophobicContact CG2-CG 4.46Å
93	S	87.5	Confident	91.9	Very high	6 Å²	6	34.6 Å²	34.6	4%	0.042	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	131.5	166.1	61.9	0	0	0	0	110.6	R51 K97 H168	R51-S93 WeakPolarHBondContact CB-OG 3.29Å; R51-S93 PolarHBondContact N-O 3.42Å; R51-S93 PolarHBondContact O-N 2.75Å; R51-S93 PolarHBondContact O-OG 2.85Å; S93-K97 CarbonylContact C-O 3.55Å; S93-K97 VanDerWaalsContact CA-O 3.25Å; S93-K97 WeakPolarHBondContact CA-O 3.35Å; S93-H168 WeakPolarHBondContact CB-CE1 3.23Å
94	I	84.9	Confident	92	Very high	38 Å²	38	34.7 Å²	34.7	20%	0.195	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	106.9	175.1	-55.3	177.7	0	0	0	105.8	D47 E50 S96 K97	D47-I94 WeakPolarHBondContact O-CG2 3.17Å; E50-I94 HydrophobicContact CG-CD1 4.13Å; E50-I94 HydrophobicContact CG-CG1 4.05Å; I94-S96 PolarHBondContact O-N 3.37Å; I94-K97 PolarHBondContact N-O 2.79Å; I94-K97 PolarHBondContact O-N 3.44Å
95	G	72.5	Confident	91.9	Very high	42 Å²	42	37.7 Å²	37.7	43%	0.433	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	-108.5	-169.1	0	0	0	0	0	112.4	E46	E46-G95 PolarHBondContact O-N 2.92Å
96	S	70.6	Confident	91.7	Very high	76 Å²	76	41.1 Å²	41.1	53%	0.531	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-5.2	178.2	58.2	0	0	0	0	114.8	I94 L172	I94-S96 PolarHBondContact O-N 3.37Å; S96-L172 WeakPolarHBondContact O-CD1 3.05Å
97	K	77.4	Confident	91.6	Very high	107 Å²	107	43.1 Å²	43.1	47%	0.465	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	141	-178.3	-64.6	174.4	-174.2	161	0	110.2	S93 I94	S93-K97 CarbonylContact C-O 3.55Å; S93-K97 VanDerWaalsContact CA-O 3.25Å; S93-K97 WeakPolarHBondContact CA-O 3.35Å; I94-K97 PolarHBondContact N-O 2.79Å; I94-K97 PolarHBondContact O-N 3.44Å
98	V	90.2	Very high	91.4	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	135	173.3	179.3	0	0	0	0	109.2	L53 L91 V92 I116 L165 H168 F169	L53-V98 HydrophobicContact CD1-CG1 4.27Å; L53-V98 HydrophobicContact CD1-CG2 4.22Å; L91-V98 HydrophobicContact CD1-CG1 3.39Å; L91-V98 HydrophobicContact CD2-CG1 4.36Å; L91-V98 HydrophobicContact CG-CG1 3.83Å; V92-V98 CarbonylContact O-C 3.32Å; V92-V98 WeakPolarHBondContact O-CA 3.34Å; V98-I116 HydrophobicContact CB-CB 4.2Å; V98-I116 HydrophobicContact CG1-CB 4.47Å; V98-I116 HydrophobicContact CG1-CD1 4.37Å; V98-I116 PolarHBondContact N-O 2.59Å; V98-I116 PolarHBondContact O-N 3.09Å; V98-L165 HydrophobicContact CG1-CD2 4.07Å; V98-H168 WeakPolarHBondContact CG2-CD2 3.34Å; V98-H168 WeakPolarHBondContact CG2-NE2 3.33Å; V98-F169 HydrophobicContact CB-CE2 4.3Å; V98-F169 HydrophobicContact CB-CZ 4.15Å; V98-F169 HydrophobicContact CG2-CE2 3.91Å; V98-F169 HydrophobicContact CG2-CZ 3.8Å
99	V	93.6	Very high	91.3	Very high	22 Å²	22	43.7 Å²	43.7	13%	0.133	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	123.7	175.7	-174.9	0	0	0	0	108.6	V92 K101 K113	V92-V99 HydrophobicContact CG2-CB 4.01Å; V92-V99 WeakPolarHBondContact CG2-O 3.45Å; V92-V99 PolarHBondContact N-O 2.82Å; V92-V99 PolarHBondContact O-N 2.81Å; V99-K101 HydrophobicContact CG1-CG 4.04Å; V99-K113 HydrophobicContact CG1-CB 4Å
100	L	96.9	Very high	91.2	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	111	168.8	178.3	65.6	0	0	0	108.5	A89 L91 K113 C114 I116 I136 L150 L161	A89-L100 HydrophobicContact CB-CD1 4.22Å; L91-L100 HydrophobicContact CB-CD1 4.36Å; L91-L100 HydrophobicContact CD1-CB 3.91Å; L91-L100 HydrophobicContact CD1-CD1 4.06Å; L100-K113 CarbonylContact O-C 3.57Å; L100-K113 WeakPolarHBondContact O-CA 3.29Å; L100-C114 HydrophobicContact CB-CB 4.12Å; L100-C114 PolarHBondContact N-O 2.93Å; L100-C114 PolarHBondContact O-N 3.47Å; L100-I116 HydrophobicContact CB-CD1 4.33Å; L100-I136 HydrophobicContact CD2-CD1 4.11Å; L100-L150 HydrophobicContact CD2-CD2 4.06Å; L100-L161 HydrophobicContact CD1-CD1 4.43Å
101	K	96.6	Very high	91.1	Very high	34 Å²	34	49.9 Å²	49.9	15%	0.148	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	127.7	178	-61.9	179.5	179.9	176.1	0	109.2	E50 R90 V92 V99 E103 L110	E50-K101 IonicContact OE1-NZ 2.75Å; E50-K101 PolarHBondContact OE1-NZ 2.92Å; E50-K101 IonicContact OE2-NZ 2.85Å; E50-K101 PolarHBondContact OE2-NZ 2.86Å; R90-K101 PolarHBondContact N-O 3.08Å; R90-K101 PolarHBondContact O-N 2.82Å; V92-K101 HydrophobicContact CG2-CD 4.16Å; V92-K101 HydrophobicContact CG2-CG 4.46Å; V99-K101 HydrophobicContact CG1-CG 4.04Å; K101-E103 HydrophobicContact CB-CG 4.49Å; K101-L110 HydrophobicContact CB-CD1 3.94Å; K101-L110 HydrophobicContact CG-CD1 4.25Å
102	L	97.8	Very high	91	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	123.8	169.8	-60.6	-177.4	0	0	0	107.8	V59 V61 W85 A89 F111 A112 I136 L138 I148 L150	V59-L102 HydrophobicContact CG2-CD2 4.15Å; V61-L102 HydrophobicContact CG2-CD1 3.79Å; W85-L102 HydrophobicContact CH2-CB 3.92Å; W85-L102 HydrophobicContact CZ3-CB 4.06Å; W85-L102 HydrophobicContact CZ3-CD1 4.47Å; A89-L102 HydrophobicContact CB-CD2 4.06Å; L102-F111 HydrophobicContact CB-CB 4.36Å; L102-F111 HydrophobicContact CB-CD1 4.15Å; L102-F111 HydrophobicContact CD1-CD1 4.24Å; L102-F111 WeakPolarHBondContact O-CA 3.48Å; L102-F111 WeakPolarHBondContact O-CB 3.18Å; L102-F111 PolarHBondContact O-N 2.93Å; L102-A112 HydrophobicContact CD1-CB 4.46Å; L102-A112 PolarHBondContact N-O 3.09Å; L102-A112 PolarHBondContact O-N 3.34Å; L102-I136 HydrophobicContact CD1-CD1 4.26Å; L102-L138 HydrophobicContact CD1-CD2 4.38Å; L102-I148 HydrophobicContact CD1-CD1 3.98Å; L102-L150 HydrophobicContact CD2-CD1 4.01Å
103	E	97.2	Very high	91.1	Very high	4 Å²	4	53.4 Å²	53.4	2%	0.019	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	147.1	-172.2	-67.9	165.7	-164.1	0	0	110.2	W85 R88 R90 K101 A109 L110	W85-E103 VanDerWaalsContact CH2-O 3.28Å; W85-E103 WeakPolarHBondContact CH2-O 3.4Å; W85-E103 WeakPolarHBondContact CZ2-O 3.33Å; R88-E103 IonicContact CZ-OE2 2.98Å; R88-E103 PolarHBondContact N-O 2.81Å; R88-E103 IonicContact NE-OE2 3.44Å; R88-E103 PolarHBondContact NE-OE2 2.67Å; R88-E103 IonicContact NH2-OE2 3.64Å; R88-E103 PolarHBondContact NH2-OE2 3.39Å; R88-E103 PolarHBondContact O-N 2.88Å; R90-E103 IonicContact CZ-OE1 3.48Å; R90-E103 IonicContact CZ-OE2 3.32Å; R90-E103 IonicContact NE-OE1 2.7Å; R90-E103 PolarHBondContact NE-OE1 2.77Å; R90-E103 IonicContact NE-OE2 2.97Å; R90-E103 PolarHBondContact NE-OE2 3.11Å; R90-E103 VanDerWaalsContact NH2-CD 3.35Å; R90-E103 IonicContact NH2-OE1 3.98Å; R90-E103 PolarHBondContact NH2-OE1 2.68Å; R90-E103 IonicContact NH2-OE2 3.19Å; R90-E103 PolarHBondContact NH2-OE2 3.06Å; K101-E103 HydrophobicContact CB-CG 4.49Å; E103-A109 CarbonylContact C-O 3.32Å; E103-A109 VanDerWaalsContact CA-O 3.23Å; E103-A109 WeakPolarHBondContact CA-O 3.43Å; E103-L110 HydrophobicContact CG-CD1 4.37Å
104	D	97.2	Very high	91.5	Very high	42 Å²	42	53.1 Å²	53.1	23%	0.225	30%	0.298	C	S	.	.			trans	-61.4	140.3	170.3	174.8	52.3	0	0	0	110.9	T106 T107 G108 A109	D104-T106 VanDerWaalsContact C-N 3.31Å; D104-T106 PolarHBondContact O-N 2.63Å; D104-T106 PolarHBondContact OD2-N 3.43Å; D104-T106 VanDerWaalsContact OD2-N 3.12Å; D104-T106 PolarHBondContact OD2-OG1 2.99Å; D104-T107 VanDerWaalsContact CB-OG1 3.31Å; D104-T107 WeakPolarHBondContact CB-OG1 3.48Å; D104-T107 WeakPolarHBondContact OD2-CB 3.32Å; D104-T107 PolarHBondContact OD2-N 3.07Å; D104-T107 PolarHBondContact OD2-OG1 3.03Å; D104-G108 VanDerWaalsContact O-CA 3.32Å; D104-G108 WeakPolarHBondContact O-CA 3.36Å; D104-G108 PolarHBondContact O-N 3.4Å; D104-A109 PolarHBondContact N-O 3.34Å
105	R	93.5	Very high	91.8	Very high	167 Å²	167	52.5 Å²	52.5	63%	0.63	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-33.4	-174.9	-179.9	173.9	175.2	-91.1	1	112.4
106	T	93.6	Very high	92.7	Very high	116 Å²	116	50.5 Å²	50.5	71%	0.712	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-45.3	-172.4	61.2	0	0	0	0	113	D104	D104-T106 VanDerWaalsContact C-N 3.31Å; D104-T106 PolarHBondContact O-N 2.63Å; D104-T106 PolarHBondContact OD2-N 3.43Å; D104-T106 VanDerWaalsContact OD2-N 3.12Å; D104-T106 PolarHBondContact OD2-OG1 2.99Å
107	T	94.5	Very high	93.1	Very high	103 Å²	103	50.1 Å²	50.1	63%	0.632	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-21.9	-175.3	60	0	0	0	0	112.9	D104 A109	D104-T107 VanDerWaalsContact CB-OG1 3.31Å; D104-T107 WeakPolarHBondContact CB-OG1 3.48Å; D104-T107 WeakPolarHBondContact OD2-CB 3.32Å; D104-T107 PolarHBondContact OD2-N 3.07Å; D104-T107 PolarHBondContact OD2-OG1 3.03Å; T107-A109 PolarHBondContact O-N 3.48Å; T107-A109 WeakPolarHBondContact OG1-CB 3.26Å; T107-A109 PolarHBondContact OG1-N 3.36Å
108	G	92.6	Very high	93.1	Very high	28 Å²	28	46 Å²	46	29%	0.289	25%	0.252	S	S	.	.			trans	69.2	10.3	-169.7	0	0	0	0	0	113.7	D104	D104-G108 VanDerWaalsContact O-CA 3.32Å; D104-G108 WeakPolarHBondContact O-CA 3.36Å; D104-G108 PolarHBondContact O-N 3.4Å
109	A	95.4	Very high	92.4	Very high	54 Å²	54	49.2 Å²	49.2	45%	0.446	26%	0.264	S	S	.	.			trans	-63.7	134.5	177.6	0	0	0	0	0	110.7	E103 D104 T107 F111	E103-A109 CarbonylContact C-O 3.32Å; E103-A109 VanDerWaalsContact CA-O 3.23Å; E103-A109 WeakPolarHBondContact CA-O 3.43Å; D104-A109 PolarHBondContact N-O 3.34Å; T107-A109 PolarHBondContact O-N 3.48Å; T107-A109 WeakPolarHBondContact OG1-CB 3.26Å; T107-A109 PolarHBondContact OG1-N 3.36Å; A109-F111 PolarHBondContact O-N 3.5Å
110	L	94.5	Very high	91.6	Very high	99 Å²	99	53.6 Å²	53.6	52%	0.518	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	119.7	178.8	-176.9	71.2	0	0	0	110	K101 E103	K101-L110 HydrophobicContact CB-CD1 3.94Å; K101-L110 HydrophobicContact CG-CD1 4.25Å; E103-L110 HydrophobicContact CG-CD1 4.37Å
111	F	95	Very high	90.6	Very high	104 Å²	104	54.2 Å²	54.2	46%	0.456	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-51.3	171.8	175.2	-109.5	0	0	0	110.9	V61 W85 L102 A109	V61-F111 HydrophobicContact CG1-CE1 4.46Å; W85-F111 HydrophobicContact CB-CE1 4.46Å; W85-F111 HydrophobicContact CB-CZ 4.21Å; W85-F111 AromaticContact CD1-CE2 3.98Å; W85-F111 AromaticContact CD2-CD1 3.94Å; W85-F111 HydrophobicContact CD2-CD1 3.94Å; W85-F111 HydrophobicContact CD2-CD2 4.49Å; W85-F111 HydrophobicContact CD2-CE1 4.12Å; W85-F111 HydrophobicContact CD2-CG 4.14Å; W85-F111 HydrophobicContact CD2-CZ 4.46Å; W85-F111 AromaticContact CE2-CG 3.76Å; W85-F111 HydrophobicContact CE3-CD1 4.16Å; W85-F111 HydrophobicContact CE3-CE1 4.37Å; W85-F111 HydrophobicContact CG-CD1 4.4Å; W85-F111 HydrophobicContact CG-CD2 4.41Å; W85-F111 HydrophobicContact CG-CE1 4.19Å; W85-F111 HydrophobicContact CG-CE2 4.2Å; W85-F111 HydrophobicContact CG-CZ 4.08Å; W85-F111 HydrophobicContact CH2-CB 4.22Å; W85-F111 HydrophobicContact CH2-CD1 4.4Å; W85-F111 HydrophobicContact CZ2-CB 3.67Å; W85-F111 HydrophobicContact CZ2-CD1 4.24Å; W85-F111 AromaticContact CZ2-CG 3.96Å; W85-F111 HydrophobicContact CZ2-CG 3.96Å; W85-F111 HydrophobicContact CZ3-CD1 4.37Å; W85-F111 AromaticContact NE1-CD2 3.84Å; W85-F111 AromaticContact NE1-CG 3.97Å; L102-F111 HydrophobicContact CB-CB 4.36Å; L102-F111 HydrophobicContact CB-CD1 4.15Å; L102-F111 HydrophobicContact CD1-CD1 4.24Å; L102-F111 WeakPolarHBondContact O-CA 3.48Å; L102-F111 WeakPolarHBondContact O-CB 3.18Å; L102-F111 PolarHBondContact O-N 2.93Å; A109-F111 PolarHBondContact O-N 3.5Å
112	A	95.9	Very high	89.7	Confident	17 Å²	17	56.4 Å²	56.4	14%	0.14	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	163.4	179.7	0	0	0	0	0	112.2	L102 L138	L102-A112 HydrophobicContact CD1-CB 4.46Å; L102-A112 PolarHBondContact N-O 3.09Å; L102-A112 PolarHBondContact O-N 3.34Å; A112-L138 HydrophobicContact CB-CD1 3.61Å; A112-L138 HydrophobicContact CB-CD2 3.66Å; A112-L138 HydrophobicContact CB-CG 4.15Å
113	K	95.6	Very high	89.2	Confident	60 Å²	60	56.4 Å²	56.4	26%	0.261	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	142.8	175.5	63.2	-174.2	175.1	-172.9	0	111.7	V99 L100 L138 Q139 D141	V99-K113 HydrophobicContact CG1-CB 4Å; L100-K113 CarbonylContact O-C 3.57Å; L100-K113 WeakPolarHBondContact O-CA 3.29Å; K113-L138 CarbonylContact O-C 3.49Å; K113-L138 WeakPolarHBondContact O-CA 3.33Å; K113-Q139 WeakPolarHBondContact CE-O 3.1Å; K113-Q139 WeakPolarHBondContact CG-O 3.33Å; K113-Q139 PolarHBondContact O-N 3.05Å; K113-D141 IonicContact NZ-OD1 3.29Å; K113-D141 PolarHBondContact NZ-OD1 3.46Å
114	C	95.3	Very high	88.9	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	100.4	175.6	167.6	0	0	0	0	108.8	L100 I136 R137 L138	L100-C114 HydrophobicContact CB-CB 4.12Å; L100-C114 PolarHBondContact N-O 2.93Å; L100-C114 PolarHBondContact O-N 3.47Å; C114-I136 HydrophobicContact CB-CD1 4.32Å; C114-R137 WeakPolarHBondContact CA-O 3.43Å; C114-R137 WeakPolarHBondContact CB-O 3.28Å; C114-R137 PolarHBondContact SG-O 3.35Å; C114-L138 HydrophobicContact CB-CD2 4.25Å
115	P	92.5	Very high	88.5	Confident	24 Å²	24	58.2 Å²	58.2	16%	0.156	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	131.5	176	27.4	-28.7	0	0	0	111.7	Q139	P115-Q139 HydrophobicContact CG-CB 3.85Å; P115-Q139 HydrophobicContact CG-CG 4.49Å
116	I	90.9	Very high	88.4	Confident	1 Å²	1	54.6 Å²	54.6	1%	0.005	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	108.2	-174.9	-53.6	169.9	0	0	0	108	L91 V98 L100 V124 L165 F169	L91-I116 HydrophobicContact CD1-CD1 4.36Å; V98-I116 HydrophobicContact CB-CB 4.2Å; V98-I116 HydrophobicContact CG1-CB 4.47Å; V98-I116 HydrophobicContact CG1-CD1 4.37Å; V98-I116 PolarHBondContact N-O 2.59Å; V98-I116 PolarHBondContact O-N 3.09Å; L100-I116 HydrophobicContact CB-CD1 4.33Å; I116-V124 HydrophobicContact CD1-CG2 3.55Å; I116-V124 HydrophobicContact CG1-CG2 3.95Å; I116-L165 HydrophobicContact CD1-CD2 3.7Å; I116-L165 HydrophobicContact CG2-CD2 4.42Å; I116-F169 HydrophobicContact CG2-CE2 3.81Å; I116-F169 HydrophobicContact CG2-CZ 3.85Å
117	D	79.8	Confident	88.4	Confident	67 Å²	67	49.5 Å²	49.5	36%	0.358	29%	0.29	S	S	.	.			trans	-89.2	-23.9	-175.4	-68	-33.2	0	0	0	113.2	R282	D117-R282 IonicContact OD1-NH2 3.42Å; D117-R282 IonicContact OD2-NH2 3.58Å; D117-R282 PolarHBondContact OD2-NH2 3.44Å
118	S	75.7	Confident	88.1	Confident	21 Å²	21	50 Å²	50	15%	0.147	29%	0.288	C	S	.	.	S	Bend	trans	-156	162.7	-175.7	65.1	0	0	0	0	111.3	S121 F169	S118-S121 WeakPolarHBondContact O-CA 3.41Å; S118-S121 WeakPolarHBondContact O-CB 3.34Å; S118-S121 PolarHBondContact O-OG 2.86Å; S118-S121 VanDerWaalsContact O-OG 3.1Å; S118-F169 VanDerWaalsContact CA-CE1 3.44Å
119	Y	75.7	Confident	88	Confident	68 Å²	68	51.8 Å²	51.8	27%	0.267	29%	0.291	S	S	.	.	S	Bend	trans	-134.2	132.8	173.1	-173.2	-89.4	0	0	0	111	N162 L165 R166 F169	Y119-N162 PolarHBondContact OH-OD1 3.18Å; Y119-L165 HydrophobicContact CD2-CB 3.88Å; Y119-L165 HydrophobicContact CD2-CD1 4.37Å; Y119-L165 HydrophobicContact CE2-CB 3.96Å; Y119-L165 HydrophobicContact CE2-CD1 4.22Å; Y119-R166 HydrophobicContact CD1-CG 3.98Å; Y119-R166 HydrophobicContact CE1-CB 4.45Å; Y119-R166 HydrophobicContact CE1-CG 3.25Å; Y119-R166 PolarHBondContact OH-NE 2.97Å; Y119-F169 HydrophobicContact CG-CD2 4.24Å
120	P	77.2	Confident	87.8	Confident	114 Å²	114	50.6 Å²	50.6	74%	0.74	28%	0.28	S	S	*	.	S	Bend	cis	-63.5	137	-2	27.6	-34.7	0	0	0	111.8
121	S	75.6	Confident	87.7	Confident	16 Å²	16	47.4 Å²	47.4	11%	0.112	27%	0.266	C	S	.	.			trans	-107.2	137.3	-175.9	-149.7	0	0	0	0	110.4	S118 A123 V124	S118-S121 WeakPolarHBondContact O-CA 3.41Å; S118-S121 WeakPolarHBondContact O-CB 3.34Å; S118-S121 PolarHBondContact O-OG 2.86Å; S118-S121 VanDerWaalsContact O-OG 3.1Å; S121-A123 PolarHBondContact O-N 2.57Å; S121-A123 PolarHBondContact OG-N 3.07Å; S121-V124 PolarHBondContact O-N 2.75Å; S121-V124 VanDerWaalsContact O-O 3.12Å
122	P	78.3	Confident	87.7	Confident	80 Å²	80	46.3 Å²	46.3	52%	0.519	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-21.5	163	28.1	-33.2	0	0	0	111.2	V124 W147	P122-V124 PolarHBondContact O-N 3.48Å; P122-W147 WeakPolarHBondContact O-CH2 3.27Å; P122-W147 VanDerWaalsContact O-CZ3 3.27Å; P122-W147 WeakPolarHBondContact O-CZ3 3.05Å
123	A	86.7	Confident	87.7	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-16.7	-179.9	0	0	0	0	0	114.3	S121 I136 R137	S121-A123 PolarHBondContact O-N 2.57Å; S121-A123 PolarHBondContact OG-N 3.07Å; A123-I136 CarbonylContact O-C 3.54Å; A123-I136 VanDerWaalsContact O-CA 3.26Å; A123-I136 WeakPolarHBondContact O-CA 3.46Å; A123-R137 HydrophobicContact CB-CB 4.25Å; A123-R137 PolarHBondContact O-N 3.25Å
124	V	91.5	Very high	87.7	Confident	12 Å²	12	43.7 Å²	43.7	7%	0.073	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	102.1	179.1	-178.9	0	0	0	0	108.6	I116 S121 P122 F134 V135 I136 L165	I116-V124 HydrophobicContact CD1-CG2 3.55Å; I116-V124 HydrophobicContact CG1-CG2 3.95Å; S121-V124 PolarHBondContact O-N 2.75Å; S121-V124 VanDerWaalsContact O-O 3.12Å; P122-V124 PolarHBondContact O-N 3.48Å; V124-F134 HydrophobicContact CG1-CB 4.39Å; V124-F134 HydrophobicContact CG1-CD1 4.13Å; V124-F134 HydrophobicContact CG1-CG 4.48Å; V124-V135 WeakPolarHBondContact CA-O 3.37Å; V124-I136 HydrophobicContact CB-CG2 4.44Å; V124-I136 HydrophobicContact CG1-CG2 4.14Å; V124-I136 HydrophobicContact CG2-CG2 4.09Å; V124-L165 HydrophobicContact CG1-CD1 4.5Å
125	E	89.8	Confident	87.6	Confident	72 Å²	72	43.7 Å²	43.7	34%	0.336	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	128.6	-177.7	-60.2	-171.1	167.2	0	0	110.4	H73 F134 V135	H73-E125 IonicContact CD2-OE2 2.65Å; E125-F134 CarbonylContact O-C 3.44Å; E125-F134 WeakPolarHBondContact O-CA 3.47Å; E125-V135 HydrophobicContact CB-CB 4.4Å; E125-V135 PolarHBondContact N-O 3.32Å; E125-V135 PolarHBondContact O-N 2.81Å
126	P	91.5	Very high	87.8	Confident	91 Å²	91	42.5 Å²	42.5	59%	0.591	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69.5	141.3	171.3	30.1	-33.5	0	0	0	110.4	F134	P126-F134 HydrophobicContact CB-CD1 4.42Å; P126-F134 HydrophobicContact CB-CE1 4.43Å
127	V	91.6	Very high	87.8	Confident	8 Å²	8	45.6 Å²	45.6	5%	0.048	25%	0.248	C	C	.	.			trans	-79.8	143.2	176	-179.1	0	0	0	0	109.9	H73 A75 W78 D129 Y133 V135	H73-V127 HydrophobicContact CB-CG2 4.42Å; H73-V127 WeakPolarHBondContact O-CG1 3.5Å; A75-V127 HydrophobicContact CB-CG1 3.97Å; A75-V127 VanDerWaalsContact N-CG1 3.25Å; W78-V127 HydrophobicContact CH2-CG2 3.45Å; W78-V127 VanDerWaalsContact CH2-CG2 3.45Å; W78-V127 HydrophobicContact CZ2-CG2 3.87Å; W78-V127 HydrophobicContact CZ3-CG2 4.35Å; V127-D129 WeakPolarHBondContact CG1-OD1 3.43Å; V127-Y133 WeakPolarHBondContact CB-O 3.39Å; V127-Y133 VanDerWaalsContact CG2-C 3.46Å; V127-Y133 WeakPolarHBondContact CG2-O 3.25Å; V127-Y133 PolarHBondContact N-O 2.9Å; V127-Y133 VanDerWaalsContact N-O 3.11Å; V127-V135 HydrophobicContact CG2-CG2 4.18Å
128	L	88.5	Confident	88.6	Confident	113 Å²	113	43.5 Å²	43.5	59%	0.592	24%	0.236	S	C	*	.	S	Bend	trans	-70.7	-37.2	-169.2	-66.2	-179.6	0	0	0	114.7	H73	H73-L128 PolarHBondContact O-N 3.31Å
129	D	90.5	Very high	89.4	Confident	66 Å²	66	45.6 Å²	45.6	35%	0.353	24%	0.244	S	C	.	.	S	Bend	trans	-89.3	-14.8	-173.9	60.1	-25.1	0	0	0	113.2	R74 A75 A76 V127	R74-D129 WeakPolarHBondContact CA-OD1 3.23Å; A75-D129 PolarHBondContact N-OD1 2.97Å; A75-D129 PolarHBondContact N-OD2 3.22Å; A75-D129 VanDerWaalsContact N-OD2 3.14Å; A76-D129 WeakPolarHBondContact CB-OD2 3.32Å; A76-D129 PolarHBondContact N-OD2 3Å; V127-D129 WeakPolarHBondContact CG1-OD1 3.43Å
130	S	92.5	Very high	90.1	Very high	29 Å²	29	45.5 Å²	45.5	20%	0.203	25%	0.248	C	C	.	.			trans	-156.4	133.4	-179.5	170.1	0	0	0	0	112	R132 Y133	S130-R132 PolarHBondContact O-N 2.8Å; S130-R132 PolarHBondContact OG-N 2.9Å; S130-Y133 WeakPolarHBondContact OG-CD2 3.45Å
131	S	92.8	Very high	90.6	Very high	33 Å²	33	47 Å²	47	23%	0.231	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-8.3	176.6	81.5	0	0	0	0	113.7	Y133 R155 S158	S131-Y133 PolarHBondContact O-N 3.25Å; S131-R155 VanDerWaalsContact CB-CZ 3.47Å; S131-R155 WeakPolarHBondContact OG-CG 2.99Å; S131-R155 PolarHBondContact OG-NE 3.42Å; S131-R155 VanDerWaalsContact OG-NE 3.09Å; S131-R155 PolarHBondContact OG-NH1 3.42Å; S131-R155 PolarHBondContact OG-NH2 2.89Å; S131-S158 VanDerWaalsContact O-CB 3.25Å; S131-S158 WeakPolarHBondContact O-CB 3.28Å; S131-S158 PolarHBondContact O-OG 2.72Å; S131-S158 VanDerWaalsContact O-OG 3.06Å
132	R	94.3	Very high	91.2	Very high	80 Å²	80	50.1 Å²	50.1	30%	0.302	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-15.7	178.5	-75.5	179.6	54.6	-171.1	-12.1	112.2	S130 G151 F152 A153 R155	S130-R132 PolarHBondContact O-N 2.8Å; S130-R132 PolarHBondContact OG-N 2.9Å; R132-G151 WeakPolarHBondContact O-CA 3.44Å; R132-F152 PolarHBondContact NE-O 2.77Å; R132-F152 PolarHBondContact NH2-O 2.79Å; R132-F152 PolarHBondContact O-N 2.81Å; R132-A153 VanDerWaalsContact CZ-C 3.48Å; R132-A153 PolarHBondContact NE-O 2.91Å; R132-A153 PolarHBondContact NH1-O 2.78Å; R132-A153 VanDerWaalsContact NH2-C 3.27Å; R132-A153 PolarHBondContact NH2-O 3.48Å; R132-R155 HydrophobicContact CG-CB 4.04Å
133	Y	95.5	Very high	91.6	Very high	21 Å²	21	48.1 Å²	48.1	8%	0.082	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	145.7	-172.8	-57.1	-78.9	0	0	0	111.3	Y62 A75 W78 L80 V127 S130 S131 L150	Y62-Y133 HydrophobicContact CE2-CD1 4.06Å; Y62-Y133 AromaticContact CE2-CE1 3.73Å; Y62-Y133 HydrophobicContact CE2-CE1 3.73Å; A75-Y133 HydrophobicContact CB-CD1 4.48Å; A75-Y133 HydrophobicContact CB-CD2 3.38Å; A75-Y133 HydrophobicContact CB-CE2 3.83Å; A75-Y133 HydrophobicContact CB-CG 3.76Å; W78-Y133 HydrophobicContact CE3-CD1 4.24Å; W78-Y133 AromaticContact CZ3-CD1 3.91Å; W78-Y133 HydrophobicContact CZ3-CD1 3.91Å; W78-Y133 HydrophobicContact CZ3-CG 4.07Å; L80-Y133 HydrophobicContact CD1-CE2 4.47Å; L80-Y133 HydrophobicContact CD2-CE1 3.86Å; L80-Y133 HydrophobicContact CD2-CE2 4.38Å; V127-Y133 WeakPolarHBondContact CB-O 3.39Å; V127-Y133 VanDerWaalsContact CG2-C 3.46Å; V127-Y133 WeakPolarHBondContact CG2-O 3.25Å; V127-Y133 PolarHBondContact N-O 2.9Å; V127-Y133 VanDerWaalsContact N-O 3.11Å; S130-Y133 WeakPolarHBondContact OG-CD2 3.45Å; S131-Y133 PolarHBondContact O-N 3.25Å; Y133-L150 CarbonylContact C-O 3.51Å; Y133-L150 VanDerWaalsContact CA-O 3.24Å; Y133-L150 WeakPolarHBondContact CA-O 3.49Å
134	F	95.4	Very high	91.7	Very high	1 Å²	1	57.2 Å²	57.2	0%	0.004	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	153.7	177.2	-56.5	-88	0	0	0	108.7	V124 E125 P126 I136 G149 L150 F152 L161 N162	V124-F134 HydrophobicContact CG1-CB 4.39Å; V124-F134 HydrophobicContact CG1-CD1 4.13Å; V124-F134 HydrophobicContact CG1-CG 4.48Å; E125-F134 CarbonylContact O-C 3.44Å; E125-F134 WeakPolarHBondContact O-CA 3.47Å; P126-F134 HydrophobicContact CB-CD1 4.42Å; P126-F134 HydrophobicContact CB-CE1 4.43Å; F134-I136 HydrophobicContact CB-CG2 4.18Å; F134-G149 CarbonylContact O-C 3.57Å; F134-G149 WeakPolarHBondContact O-CA 3.29Å; F134-L150 HydrophobicContact CB-CB 4.49Å; F134-L150 PolarHBondContact N-O 2.7Å; F134-L150 PolarHBondContact O-N 2.85Å; F134-F152 HydrophobicContact CD2-CD2 4.08Å; F134-F152 AromaticContact CD2-CE2 3.71Å; F134-F152 HydrophobicContact CD2-CE2 3.71Å; F134-F152 AromaticContact CE2-CD2 3.73Å; F134-F152 HydrophobicContact CE2-CD2 3.73Å; F134-F152 AromaticContact CE2-CE2 3.51Å; F134-F152 HydrophobicContact CE2-CE2 3.51Å; F134-L161 HydrophobicContact CD2-CD2 4.19Å; F134-L161 HydrophobicContact CE2-CD2 4.15Å; F134-L161 HydrophobicContact CZ-CD2 4.48Å; F134-N162 WeakPolarHBondContact CE1-ND2 3.5Å; F134-N162 VanDerWaalsContact CZ-ND2 3.28Å; F134-N162 WeakPolarHBondContact CZ-ND2 3.35Å
135	V	93.8	Very high	91.7	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	121.8	163.2	169.1	0	0	0	0	107.5	I64 H73 W78 V124 E125 V127 W147 I148	I64-V135 HydrophobicContact CD1-CG1 3.76Å; I64-V135 HydrophobicContact CD1-CG2 4.22Å; H73-V135 HydrophobicContact CB-CG2 3.63Å; H73-V135 VanDerWaalsContact CG-CG2 3.49Å; W78-V135 HydrophobicContact CH2-CG2 3.82Å; W78-V135 HydrophobicContact CZ2-CG2 3.63Å; V124-V135 WeakPolarHBondContact CA-O 3.37Å; E125-V135 HydrophobicContact CB-CB 4.4Å; E125-V135 PolarHBondContact N-O 3.32Å; E125-V135 PolarHBondContact O-N 2.81Å; V127-V135 HydrophobicContact CG2-CG2 4.18Å; V135-W147 HydrophobicContact CG1-CB 4.39Å; V135-W147 HydrophobicContact CG1-CD2 4.39Å; V135-W147 HydrophobicContact CG1-CE3 3.55Å; V135-W147 HydrophobicContact CG1-CZ3 4.13Å; V135-I148 WeakPolarHBondContact CA-O 3.32Å
136	I	95.2	Very high	91.8	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	147.2	-176.9	65.6	168	0	0	0	111.2	L100 L102 C114 A123 V124 F134 L138 W147 I148 L150	L100-I136 HydrophobicContact CD2-CD1 4.11Å; L102-I136 HydrophobicContact CD1-CD1 4.26Å; C114-I136 HydrophobicContact CB-CD1 4.32Å; A123-I136 CarbonylContact O-C 3.54Å; A123-I136 VanDerWaalsContact O-CA 3.26Å; A123-I136 WeakPolarHBondContact O-CA 3.46Å; V124-I136 HydrophobicContact CB-CG2 4.44Å; V124-I136 HydrophobicContact CG1-CG2 4.14Å; V124-I136 HydrophobicContact CG2-CG2 4.09Å; F134-I136 HydrophobicContact CB-CG2 4.18Å; I136-L138 HydrophobicContact CD1-CD2 4.02Å; I136-L138 HydrophobicContact CG1-CD2 4.45Å; I136-W147 WeakPolarHBondContact O-CA 3.38Å; I136-I148 HydrophobicContact CD1-CD1 3.98Å; I136-I148 HydrophobicContact CD1-CG1 4.13Å; I136-I148 HydrophobicContact CG1-CD1 3.99Å; I136-I148 HydrophobicContact CG1-CG1 3.56Å; I136-I148 PolarHBondContact N-O 3.12Å; I136-I148 PolarHBondContact O-N 3.18Å; I136-I148 VanDerWaalsContact O-N 3.08Å; I136-L150 HydrophobicContact CD1-CB 4.15Å; I136-L150 HydrophobicContact CD1-CD2 4.28Å; I136-L150 HydrophobicContact CG1-CB 4.24Å; I136-L150 HydrophobicContact CG2-CB 4.27Å; I136-L150 HydrophobicContact CG2-CD2 4.31Å
137	R	92.8	Very high	91.8	Very high	65 Å²	65	60.2 Å²	60.2	25%	0.245	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	105.9	176.9	-173.3	-174.3	67.3	-179.4	-0.8	110.5	C114 A123 T145 A146 W147	C114-R137 WeakPolarHBondContact CA-O 3.43Å; C114-R137 WeakPolarHBondContact CB-O 3.28Å; C114-R137 PolarHBondContact SG-O 3.35Å; A123-R137 HydrophobicContact CB-CB 4.25Å; A123-R137 PolarHBondContact O-N 3.25Å; R137-T145 HydrophobicContact CG-CG2 4.34Å; R137-A146 CarbonylContact C-O 3.41Å; R137-W147 HydrophobicContact CB-CD2 4.22Å; R137-W147 HydrophobicContact CB-CE3 3.88Å; R137-W147 HydrophobicContact CB-CH2 4.11Å; R137-W147 HydrophobicContact CB-CZ2 4.33Å; R137-W147 HydrophobicContact CB-CZ3 3.85Å; R137-W147 HydrophobicContact CG-CD2 4.46Å; R137-W147 HydrophobicContact CG-CZ2 4.39Å
138	L	94.8	Very high	92	Very high	23 Å²	23	60.9 Å²	60.9	12%	0.12	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	149	170.2	-60.1	-177.2	0	0	0	111.1	L102 A112 K113 C114 I136 T145 A146 I148	L102-L138 HydrophobicContact CD1-CD2 4.38Å; A112-L138 HydrophobicContact CB-CD1 3.61Å; A112-L138 HydrophobicContact CB-CD2 3.66Å; A112-L138 HydrophobicContact CB-CG 4.15Å; K113-L138 CarbonylContact O-C 3.49Å; K113-L138 WeakPolarHBondContact O-CA 3.33Å; C114-L138 HydrophobicContact CB-CD2 4.25Å; I136-L138 HydrophobicContact CD1-CD2 4.02Å; I136-L138 HydrophobicContact CG1-CD2 4.45Å; L138-T145 WeakPolarHBondContact O-CA 3.38Å; L138-T145 WeakPolarHBondContact O-CB 3.46Å; L138-A146 PolarHBondContact N-O 2.9Å; L138-A146 PolarHBondContact O-N 3.38Å; L138-A146 VanDerWaalsContact O-N 3.09Å; L138-I148 HydrophobicContact CD1-CD1 3.57Å; L138-I148 HydrophobicContact CD1-CG1 3.88Å; L138-I148 HydrophobicContact CD1-CG2 3.85Å; L138-I148 HydrophobicContact CD2-CD1 4Å; L138-I148 HydrophobicContact CD2-CG1 4.34Å; L138-I148 HydrophobicContact CG-CD1 3.88Å; L138-I148 HydrophobicContact CG-CG1 3.88Å; L138-I148 HydrophobicContact CG-CG2 4.46Å
139	Q	93.2	Very high	92.3	Very high	66 Å²	66	55.5 Å²	55.5	31%	0.308	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	129.8	173.2	-173	174.3	-10.7	0	0	110.2	K113 P115 R144 T145	K113-Q139 WeakPolarHBondContact CE-O 3.1Å; K113-Q139 WeakPolarHBondContact CG-O 3.33Å; K113-Q139 PolarHBondContact O-N 3.05Å; P115-Q139 HydrophobicContact CG-CB 3.85Å; P115-Q139 HydrophobicContact CG-CG 4.49Å; Q139-R144 WeakPolarHBondContact CA-O 3.41Å; Q139-T145 HydrophobicContact CB-CG2 4.35Å; Q139-T145 HydrophobicContact CG-CG2 4.25Å
140	D	91.1	Very high	92.6	Very high	65 Å²	65	52.3 Å²	52.3	35%	0.348	27%	0.273	S	S	.	.			trans	-84.7	-177.5	174.5	77.8	-6.7	0	0	0	112.1	S142 G143 R144	D140-S142 VanDerWaalsContact C-N 3.26Å; D140-S142 PolarHBondContact O-N 3.3Å; D140-S142 VanDerWaalsContact OD1-CA 3.28Å; D140-S142 WeakPolarHBondContact OD1-CA 3.5Å; D140-S142 PolarHBondContact OD1-N 3.23Å; D140-S142 PolarHBondContact OD1-OG 2.86Å; D140-S142 PolarHBondContact OD2-OG 3.34Å; D140-G143 PolarHBondContact O-N 3.5Å; D140-G143 PolarHBondContact OD1-N 3.48Å; D140-R144 PolarHBondContact N-O 3.02Å; D140-R144 PolarHBondContact OD1-N 2.89Å
141	D	88.1	Confident	92.8	Very high	146 Å²	146	51 Å²	51	78%	0.781	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-21.1	174.5	-61.3	-41.8	0	0	0	113.3	K113 G143	K113-D141 IonicContact NZ-OD1 3.29Å; K113-D141 PolarHBondContact NZ-OD1 3.46Å; D141-G143 VanDerWaalsContact C-N 3.33Å
142	S	87.3	Confident	93	Very high	82 Å²	82	49.5 Å²	49.5	57%	0.573	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-5	176.7	83.5	0	0	0	0	113.8	D140 R144	D140-S142 VanDerWaalsContact C-N 3.26Å; D140-S142 PolarHBondContact O-N 3.3Å; D140-S142 VanDerWaalsContact OD1-CA 3.28Å; D140-S142 WeakPolarHBondContact OD1-CA 3.5Å; D140-S142 PolarHBondContact OD1-N 3.23Å; D140-S142 PolarHBondContact OD1-OG 2.86Å; D140-S142 PolarHBondContact OD2-OG 3.34Å; S142-R144 WeakPolarHBondContact OG-CD 3.35Å; S142-R144 WeakPolarHBondContact OG-CG 3.19Å
143	G	86.1	Confident	92.9	Very high	38 Å²	38	47.4 Å²	47.4	39%	0.392	25%	0.253	S	S	.	.			trans	83.5	4.9	-176.5	0	0	0	0	0	115.1	D140 D141	D140-G143 PolarHBondContact O-N 3.5Å; D140-G143 PolarHBondContact OD1-N 3.48Å; D141-G143 VanDerWaalsContact C-N 3.33Å
144	R	89.3	Confident	92.8	Very high	191 Å²	191	50.7 Å²	50.7	72%	0.721	27%	0.272	S	S	*	.			trans	-67.2	141.7	172	-67	172.6	-177.4	-172.1	1	109.5	Q139 D140 S142	Q139-R144 WeakPolarHBondContact CA-O 3.41Å; D140-R144 PolarHBondContact N-O 3.02Å; D140-R144 PolarHBondContact OD1-N 2.89Å; S142-R144 WeakPolarHBondContact OG-CD 3.35Å; S142-R144 WeakPolarHBondContact OG-CG 3.19Å
145	T	91	Very high	92.7	Very high	79 Å²	79	58 Å²	58	49%	0.485	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	145.6	-179.9	60	0	0	0	0	111.4	R137 L138 Q139	R137-T145 HydrophobicContact CG-CG2 4.34Å; L138-T145 WeakPolarHBondContact O-CA 3.38Å; L138-T145 WeakPolarHBondContact O-CB 3.46Å; Q139-T145 HydrophobicContact CB-CG2 4.35Å; Q139-T145 HydrophobicContact CG-CG2 4.25Å
146	A	91.6	Very high	92.7	Very high	52 Å²	52	59.3 Å²	59.3	43%	0.43	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	149.4	175.6	0	0	0	0	0	109.6	R137 L138	R137-A146 CarbonylContact C-O 3.41Å; L138-A146 PolarHBondContact N-O 2.9Å; L138-A146 PolarHBondContact O-N 3.38Å; L138-A146 VanDerWaalsContact O-N 3.09Å
147	W	92.9	Very high	92.7	Very high	106 Å²	106	61.4 Å²	61.4	40%	0.402	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	133.7	177.2	-63.5	93.7	0	0	0	110.4	I64 P122 V135 I136 R137	I64-W147 HydrophobicContact CD1-CB 3.67Å; I64-W147 HydrophobicContact CG1-CB 4.44Å; I64-W147 WeakPolarHBondContact CG1-O 3.44Å; P122-W147 WeakPolarHBondContact O-CH2 3.27Å; P122-W147 VanDerWaalsContact O-CZ3 3.27Å; P122-W147 WeakPolarHBondContact O-CZ3 3.05Å; V135-W147 HydrophobicContact CG1-CB 4.39Å; V135-W147 HydrophobicContact CG1-CD2 4.39Å; V135-W147 HydrophobicContact CG1-CE3 3.55Å; V135-W147 HydrophobicContact CG1-CZ3 4.13Å; I136-W147 WeakPolarHBondContact O-CA 3.38Å; R137-W147 HydrophobicContact CB-CD2 4.22Å; R137-W147 HydrophobicContact CB-CE3 3.88Å; R137-W147 HydrophobicContact CB-CH2 4.11Å; R137-W147 HydrophobicContact CB-CZ2 4.33Å; R137-W147 HydrophobicContact CB-CZ3 3.85Å; R137-W147 HydrophobicContact CG-CD2 4.46Å; R137-W147 HydrophobicContact CG-CZ2 4.39Å
148	I	94.7	Very high	92.7	Very high	22 Å²	22	58.4 Å²	58.4	11%	0.113	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	157.7	177.2	63.8	160.4	0	0	0	110.3	V61 L102 V135 I136 L138	V61-I148 HydrophobicContact CB-CD1 4.43Å; V61-I148 HydrophobicContact CG1-CB 4.37Å; V61-I148 HydrophobicContact CG1-CD1 3.59Å; V61-I148 HydrophobicContact CG2-CD1 4.01Å; L102-I148 HydrophobicContact CD1-CD1 3.98Å; V135-I148 WeakPolarHBondContact CA-O 3.32Å; I136-I148 HydrophobicContact CD1-CD1 3.98Å; I136-I148 HydrophobicContact CD1-CG1 4.13Å; I136-I148 HydrophobicContact CG1-CD1 3.99Å; I136-I148 HydrophobicContact CG1-CG1 3.56Å; I136-I148 PolarHBondContact N-O 3.12Å; I136-I148 PolarHBondContact O-N 3.18Å; I136-I148 VanDerWaalsContact O-N 3.08Å; L138-I148 HydrophobicContact CD1-CD1 3.57Å; L138-I148 HydrophobicContact CD1-CG1 3.88Å; L138-I148 HydrophobicContact CD1-CG2 3.85Å; L138-I148 HydrophobicContact CD2-CD1 4Å; L138-I148 HydrophobicContact CD2-CG1 4.34Å; L138-I148 HydrophobicContact CG-CD1 3.88Å; L138-I148 HydrophobicContact CG-CG1 3.88Å; L138-I148 HydrophobicContact CG-CG2 4.46Å
149	G	95.5	Very high	92.7	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	134	166.7	0	0	0	0	0	109.7	V61 Y62 F134	V61-G149 CarbonylContact C-O 3.17Å; V61-G149 WeakPolarHBondContact CA-O 3.41Å; Y62-G149 PolarHBondContact N-O 2.96Å; Y62-G149 PolarHBondContact O-N 2.75Å; F134-G149 CarbonylContact O-C 3.57Å; F134-G149 WeakPolarHBondContact O-CA 3.29Å
150	L	96.9	Very high	92.8	Very high	0 Å²	0	63 Å²	63	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	132.2	169.8	-179.7	73.7	0	0	0	107.9	V59 F60 V61 L100 L102 Y133 F134 I136 F152 L161	V59-L150 HydrophobicContact CB-CD1 3.91Å; V59-L150 HydrophobicContact CG1-CD1 4.46Å; V59-L150 HydrophobicContact CG2-CD1 4.06Å; F60-L150 CarbonylContact O-C 3.58Å; F60-L150 WeakPolarHBondContact O-CA 3.35Å; V61-L150 HydrophobicContact CG2-CD1 4.3Å; L100-L150 HydrophobicContact CD2-CD2 4.06Å; L102-L150 HydrophobicContact CD2-CD1 4.01Å; Y133-L150 CarbonylContact C-O 3.51Å; Y133-L150 VanDerWaalsContact CA-O 3.24Å; Y133-L150 WeakPolarHBondContact CA-O 3.49Å; F134-L150 HydrophobicContact CB-CB 4.49Å; F134-L150 PolarHBondContact N-O 2.7Å; F134-L150 PolarHBondContact O-N 2.85Å; I136-L150 HydrophobicContact CD1-CB 4.15Å; I136-L150 HydrophobicContact CD1-CD2 4.28Å; I136-L150 HydrophobicContact CG1-CB 4.24Å; I136-L150 HydrophobicContact CG2-CB 4.27Å; I136-L150 HydrophobicContact CG2-CD2 4.31Å; L150-F152 HydrophobicContact CD2-CE2 4.05Å; L150-F152 HydrophobicContact CD2-CZ 4.09Å; L150-F152 HydrophobicContact CG-CE2 4.43Å; L150-L161 HydrophobicContact CD2-CD2 4.39Å
151	G	96.4	Very high	92.9	Very high	0 Å²	0	60 Å²	60	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	149.3	177.4	0	0	0	0	0	112.2	V59 F60 R132	V59-G151 WeakPolarHBondContact CA-O 3.43Å; F60-G151 PolarHBondContact N-O 3.11Å; F60-G151 PolarHBondContact O-N 3.45Å; R132-G151 WeakPolarHBondContact O-CA 3.44Å
152	F	96.6	Very high	93.1	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.009	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	149.2	172	-66.6	-85.9	0	0	0	110.9	K56 V59 R132 F134 L150 D154 D157 L161	K56-F152 HydrophobicContact CB-CE1 4.1Å; K56-F152 HydrophobicContact CG-CD1 4.47Å; K56-F152 HydrophobicContact CG-CE1 3.96Å; V59-F152 HydrophobicContact CG1-CD1 3.78Å; V59-F152 HydrophobicContact CG1-CE1 3.47Å; V59-F152 VanDerWaalsContact CG1-CE1 3.47Å; V59-F152 HydrophobicContact CG1-CZ 4.2Å; R132-F152 PolarHBondContact NE-O 2.77Å; R132-F152 PolarHBondContact NH2-O 2.79Å; R132-F152 PolarHBondContact O-N 2.81Å; F134-F152 HydrophobicContact CD2-CD2 4.08Å; F134-F152 AromaticContact CD2-CE2 3.71Å; F134-F152 HydrophobicContact CD2-CE2 3.71Å; F134-F152 AromaticContact CE2-CD2 3.73Å; F134-F152 HydrophobicContact CE2-CD2 3.73Å; F134-F152 AromaticContact CE2-CE2 3.51Å; F134-F152 HydrophobicContact CE2-CE2 3.51Å; L150-F152 HydrophobicContact CD2-CE2 4.05Å; L150-F152 HydrophobicContact CD2-CZ 4.09Å; L150-F152 HydrophobicContact CG-CE2 4.43Å; F152-D154 VanDerWaalsContact C-N 3.26Å; F152-D154 WeakPolarHBondContact CB-O 3.42Å; F152-D154 PolarHBondContact O-N 3.46Å; F152-D157 HydrophobicContact CB-CB 3.98Å; F152-D157 HydrophobicContact CD1-CB 3.6Å; F152-D157 HydrophobicContact CE1-CB 4.42Å; F152-D157 HydrophobicContact CG-CB 4.02Å; F152-L161 HydrophobicContact CE2-CB 4.38Å; F152-L161 HydrophobicContact CE2-CD2 3.81Å; F152-L161 HydrophobicContact CZ-CB 4.09Å; F152-L161 HydrophobicContact CZ-CD2 3.82Å; F152-L161 HydrophobicContact CZ-CG 4.47Å
153	A	93.1	Very high	93.2	Very high	37 Å²	37	53.6 Å²	53.6	31%	0.306	28%	0.28	S	S	.	.	S	Bend	trans	-62.3	-36.3	173.8	0	0	0	0	0	111.8	F60 R132	F60-A153 HydrophobicContact CE2-CB 3.83Å; F60-A153 HydrophobicContact CZ-CB 4.44Å; R132-A153 VanDerWaalsContact CZ-C 3.48Å; R132-A153 PolarHBondContact NE-O 2.91Å; R132-A153 PolarHBondContact NH1-O 2.78Å; R132-A153 VanDerWaalsContact NH2-C 3.27Å; R132-A153 PolarHBondContact NH2-O 3.48Å
154	D	93.2	Very high	93.4	Very high	90 Å²	90	52.5 Å²	52.5	48%	0.481	27%	0.268	S	S	.	.	S	Bend	trans	-124.4	154.9	179.9	-174.4	42.2	0	0	0	112.5	F152 G156 D157 S158	F152-D154 VanDerWaalsContact C-N 3.26Å; F152-D154 WeakPolarHBondContact CB-O 3.42Å; F152-D154 PolarHBondContact O-N 3.46Å; D154-G156 VanDerWaalsContact C-N 3.31Å; D154-G156 WeakPolarHBondContact OD2-CA 3.36Å; D154-G156 PolarHBondContact OD2-N 3.26Å; D154-D157 PolarHBondContact O-N 2.8Å; D154-S158 PolarHBondContact O-N 3.38Å
155	R	92.5	Very high	93.5	Very high	153 Å²	153	43.5 Å²	43.5	58%	0.577	23%	0.234	S	C	*	.	H	α-helix	trans	-68.1	-31.9	174	-169.5	171.9	177.8	112.7	1.2	111.6	S131 R132 D157 S158 F159	S131-R155 VanDerWaalsContact CB-CZ 3.47Å; S131-R155 WeakPolarHBondContact OG-CG 2.99Å; S131-R155 PolarHBondContact OG-NE 3.42Å; S131-R155 VanDerWaalsContact OG-NE 3.09Å; S131-R155 PolarHBondContact OG-NH1 3.42Å; S131-R155 PolarHBondContact OG-NH2 2.89Å; R132-R155 HydrophobicContact CG-CB 4.04Å; R155-D157 PolarHBondContact O-N 3.1Å; R155-S158 WeakPolarHBondContact CA-OG 3.34Å; R155-S158 PolarHBondContact O-N 2.79Å; R155-S158 PolarHBondContact O-OG 2.99Å; R155-F159 WeakPolarHBondContact O-CB 3.34Å; R155-F159 PolarHBondContact O-N 3.27Å
156	G	93.8	Very high	93.1	Very high	29 Å²	29	46.6 Å²	46.6	30%	0.299	24%	0.237	S	C	.	.	H	α-helix	trans	-58.6	-45.6	174	0	0	0	0	0	112.2	D154 S158 F159 D160	D154-G156 VanDerWaalsContact C-N 3.31Å; D154-G156 WeakPolarHBondContact OD2-CA 3.36Å; D154-G156 PolarHBondContact OD2-N 3.26Å; G156-S158 PolarHBondContact O-N 3.1Å; G156-F159 WeakPolarHBondContact O-CA 3.45Å; G156-F159 WeakPolarHBondContact O-CB 3.4Å; G156-F159 PolarHBondContact O-N 2.95Å; G156-D160 PolarHBondContact O-N 3.1Å
157	D	95.2	Very high	92.7	Very high	44 Å²	44	48.6 Å²	48.6	24%	0.235	24%	0.24	C	C	.	.	H	α-helix	trans	-64.4	-39.8	179	-67.6	-27.7	0	0	0	112.9	K56 F152 D154 R155 F159 D160 L161	K56-D157 HydrophobicContact CD-CB 3.95Å; K56-D157 WeakPolarHBondContact CD-OD1 3.23Å; K56-D157 VanDerWaalsContact CE-OD1 3.29Å; K56-D157 WeakPolarHBondContact CE-OD1 3.34Å; K56-D157 HydrophobicContact CG-CB 4.46Å; K56-D157 IonicContact NZ-OD1 2.64Å; K56-D157 PolarHBondContact NZ-OD1 3.17Å; F152-D157 HydrophobicContact CB-CB 3.98Å; F152-D157 HydrophobicContact CD1-CB 3.6Å; F152-D157 HydrophobicContact CE1-CB 4.42Å; F152-D157 HydrophobicContact CG-CB 4.02Å; D154-D157 PolarHBondContact O-N 2.8Å; R155-D157 PolarHBondContact O-N 3.1Å; D157-F159 VanDerWaalsContact C-N 3.26Å; D157-F159 PolarHBondContact O-N 2.82Å; D157-D160 PolarHBondContact O-N 3.14Å; D157-L161 PolarHBondContact O-N 2.96Å
158	S	93.8	Very high	92.3	Very high	1 Å²	1	44 Å²	44	1%	0.007	22%	0.223	C	C	.	.	H	α-helix	trans	-64.4	-32.5	173.9	73.1	0	0	0	0	112.8	S131 D154 R155 G156 N162	S131-S158 VanDerWaalsContact O-CB 3.25Å; S131-S158 WeakPolarHBondContact O-CB 3.28Å; S131-S158 PolarHBondContact O-OG 2.72Å; S131-S158 VanDerWaalsContact O-OG 3.06Å; D154-S158 PolarHBondContact O-N 3.38Å; R155-S158 WeakPolarHBondContact CA-OG 3.34Å; R155-S158 PolarHBondContact O-N 2.79Å; R155-S158 PolarHBondContact O-OG 2.99Å; G156-S158 PolarHBondContact O-N 3.1Å; S158-N162 PolarHBondContact O-N 3.11Å; S158-N162 PolarHBondContact O-ND2 3.01Å
159	F	94.9	Very high	91.6	Very high	124 Å²	124	43.7 Å²	43.7	54%	0.544	22%	0.221	S	C	.	.	H	α-helix	trans	-71.6	-42.6	176.5	179.2	-100.9	0	0	0	110.8	R155 G156 D157 L161 N162 V163	R155-F159 WeakPolarHBondContact O-CB 3.34Å; R155-F159 PolarHBondContact O-N 3.27Å; G156-F159 WeakPolarHBondContact O-CA 3.45Å; G156-F159 WeakPolarHBondContact O-CB 3.4Å; G156-F159 PolarHBondContact O-N 2.95Å; D157-F159 VanDerWaalsContact C-N 3.26Å; D157-F159 PolarHBondContact O-N 2.82Å; F159-L161 VanDerWaalsContact C-N 3.27Å; F159-L161 PolarHBondContact O-N 3.27Å; F159-N162 WeakPolarHBondContact O-CA 2.94Å; F159-N162 WeakPolarHBondContact O-CB 3.11Å; F159-N162 PolarHBondContact O-N 3.17Å; F159-V163 HydrophobicContact CD1-CG2 3.77Å; F159-V163 HydrophobicContact CE1-CG2 3.35Å; F159-V163 HydrophobicContact CE2-CG2 4.16Å; F159-V163 HydrophobicContact CG-CG2 4.35Å; F159-V163 HydrophobicContact CZ-CG2 3.57Å; F159-V163 WeakPolarHBondContact O-CG2 3.19Å; F159-V163 PolarHBondContact O-N 3.48Å
160	D	94	Very high	90.7	Very high	62 Å²	62	51.7 Å²	51.7	33%	0.332	25%	0.251	S	S	.	.	H	α-helix	trans	-59.4	-37.2	177.4	-69.9	-13	0	0	0	112.5	L54 K56 G156 D157 N162 V163 A164	L54-D160 HydrophobicContact CD1-CB 4.03Å; L54-D160 HydrophobicContact CD2-CB 4.33Å; K56-D160 WeakPolarHBondContact CE-OD2 3.39Å; K56-D160 IonicContact NZ-OD2 3.14Å; K56-D160 PolarHBondContact NZ-OD2 3.06Å; G156-D160 PolarHBondContact O-N 3.1Å; D157-D160 PolarHBondContact O-N 3.14Å; D160-N162 PolarHBondContact O-N 2.98Å; D160-V163 PolarHBondContact O-N 2.74Å; D160-A164 VanDerWaalsContact O-CB 3.29Å; D160-A164 WeakPolarHBondContact O-CB 3.3Å; D160-A164 PolarHBondContact O-N 3.46Å
161	L	94.2	Very high	89.3	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-58.6	-47.7	172.2	179	66.2	0	0	0	111.5	L54 L91 L100 F134 L150 F152 D157 F159 A164 L165	L54-L161 VanDerWaalsContact CD2-CA 3.49Å; L54-L161 HydrophobicContact CD2-CB 4.05Å; L54-L161 HydrophobicContact CD2-CD1 4.22Å; L91-L161 HydrophobicContact CD2-CD1 4.3Å; L100-L161 HydrophobicContact CD1-CD1 4.43Å; F134-L161 HydrophobicContact CD2-CD2 4.19Å; F134-L161 HydrophobicContact CE2-CD2 4.15Å; F134-L161 HydrophobicContact CZ-CD2 4.48Å; L150-L161 HydrophobicContact CD2-CD2 4.39Å; F152-L161 HydrophobicContact CE2-CB 4.38Å; F152-L161 HydrophobicContact CE2-CD2 3.81Å; F152-L161 HydrophobicContact CZ-CB 4.09Å; F152-L161 HydrophobicContact CZ-CD2 3.82Å; F152-L161 HydrophobicContact CZ-CG 4.47Å; D157-L161 PolarHBondContact O-N 2.96Å; F159-L161 VanDerWaalsContact C-N 3.27Å; F159-L161 PolarHBondContact O-N 3.27Å; L161-A164 PolarHBondContact O-N 2.7Å; L161-L165 HydrophobicContact CD1-CD1 4.22Å; L161-L165 HydrophobicContact CD1-CG 4.45Å; L161-L165 HydrophobicContact CG-CD1 4.13Å; L161-L165 WeakPolarHBondContact O-CG 3.23Å; L161-L165 PolarHBondContact O-N 3.4Å
162	N	91.3	Very high	87.9	Confident	30 Å²	30	58 Å²	58	16%	0.16	28%	0.28	C	S	.	.	H	α-helix	trans	-64.3	-40.5	178.3	-78.9	-66.7	0	0	0	112.2	Y119 F134 S158 F159 D160 R166	Y119-N162 PolarHBondContact OH-OD1 3.18Å; F134-N162 WeakPolarHBondContact CE1-ND2 3.5Å; F134-N162 VanDerWaalsContact CZ-ND2 3.28Å; F134-N162 WeakPolarHBondContact CZ-ND2 3.35Å; S158-N162 PolarHBondContact O-N 3.11Å; S158-N162 PolarHBondContact O-ND2 3.01Å; F159-N162 WeakPolarHBondContact O-CA 2.94Å; F159-N162 WeakPolarHBondContact O-CB 3.11Å; F159-N162 PolarHBondContact O-N 3.17Å; D160-N162 PolarHBondContact O-N 2.98Å; N162-R166 WeakPolarHBondContact O-CB 3.36Å; N162-R166 VanDerWaalsContact O-CG 3.23Å; N162-R166 WeakPolarHBondContact O-CG 3.32Å; N162-R166 PolarHBondContact O-N 3.17Å
163	V	90.2	Very high	86.3	Confident	63 Å²	63	61.6 Å²	61.6	38%	0.382	30%	0.295	S	S	.	.	H	α-helix	trans	-64.5	-47.5	177.5	173.5	0	0	0	0	110.6	F159 D160 L165 R166 D167	F159-V163 HydrophobicContact CD1-CG2 3.77Å; F159-V163 HydrophobicContact CE1-CG2 3.35Å; F159-V163 HydrophobicContact CE2-CG2 4.16Å; F159-V163 HydrophobicContact CG-CG2 4.35Å; F159-V163 HydrophobicContact CZ-CG2 3.57Å; F159-V163 WeakPolarHBondContact O-CG2 3.19Å; F159-V163 PolarHBondContact O-N 3.48Å; D160-V163 PolarHBondContact O-N 2.74Å; V163-L165 VanDerWaalsContact C-N 3.34Å; V163-L165 PolarHBondContact O-N 2.98Å; V163-R166 PolarHBondContact O-N 3.21Å; V163-D167 WeakPolarHBondContact O-CB 3.25Å; V163-D167 PolarHBondContact O-N 2.84Å
164	A	91.6	Very high	84.8	Confident	16 Å²	16	64 Å²	64	13%	0.132	30%	0.303	C	S	.	.	H	α-helix	trans	-60.6	-42.8	179.8	0	0	0	0	0	112.1	L54 L91 D160 L161 H168	L54-A164 HydrophobicContact CB-CB 4.07Å; L54-A164 HydrophobicContact CD2-CB 4.38Å; L91-A164 HydrophobicContact CD2-CB 3.82Å; D160-A164 VanDerWaalsContact O-CB 3.29Å; D160-A164 WeakPolarHBondContact O-CB 3.3Å; D160-A164 PolarHBondContact O-N 3.46Å; L161-A164 PolarHBondContact O-N 2.7Å; A164-H168 WeakPolarHBondContact O-CB 3.46Å; A164-H168 PolarHBondContact O-N 2.91Å; A164-H168 VanDerWaalsContact O-N 3.1Å
165	L	90	Very high	83.3	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-63.2	-51.2	174.4	-71.8	170.4	0	0	0	111.3	L91 V98 I116 Y119 V124 L161 V163 D167 H168 F169	L91-L165 HydrophobicContact CD1-CD2 4.09Å; L91-L165 HydrophobicContact CD2-CD2 4Å; L91-L165 HydrophobicContact CD2-CG 4.17Å; V98-L165 HydrophobicContact CG1-CD2 4.07Å; I116-L165 HydrophobicContact CD1-CD2 3.7Å; I116-L165 HydrophobicContact CG2-CD2 4.42Å; Y119-L165 HydrophobicContact CD2-CB 3.88Å; Y119-L165 HydrophobicContact CD2-CD1 4.37Å; Y119-L165 HydrophobicContact CE2-CB 3.96Å; Y119-L165 HydrophobicContact CE2-CD1 4.22Å; V124-L165 HydrophobicContact CG1-CD1 4.5Å; L161-L165 HydrophobicContact CD1-CD1 4.22Å; L161-L165 HydrophobicContact CD1-CG 4.45Å; L161-L165 HydrophobicContact CG-CD1 4.13Å; L161-L165 WeakPolarHBondContact O-CG 3.23Å; L161-L165 PolarHBondContact O-N 3.4Å; V163-L165 VanDerWaalsContact C-N 3.34Å; V163-L165 PolarHBondContact O-N 2.98Å; L165-D167 PolarHBondContact O-N 2.87Å; L165-H168 PolarHBondContact O-N 3.04Å; L165-F169 HydrophobicContact CD2-CE2 4.22Å; L165-F169 VanDerWaalsContact O-CD2 3.23Å; L165-F169 WeakPolarHBondContact O-CD2 3.07Å; L165-F169 PolarHBondContact O-N 3.41Å
166	R	83.5	Confident	81.5	Confident	144 Å²	144	59.3 Å²	59.3	54%	0.543	28%	0.283	S	S	.	.	H	α-helix	trans	-58.8	-45.3	179.6	-76.5	175.4	-168.9	-168.6	6.1	112.3	Y119 N162 V163 R170	Y119-R166 HydrophobicContact CD1-CG 3.98Å; Y119-R166 HydrophobicContact CE1-CB 4.45Å; Y119-R166 HydrophobicContact CE1-CG 3.25Å; Y119-R166 PolarHBondContact OH-NE 2.97Å; N162-R166 WeakPolarHBondContact O-CB 3.36Å; N162-R166 VanDerWaalsContact O-CG 3.23Å; N162-R166 WeakPolarHBondContact O-CG 3.32Å; N162-R166 PolarHBondContact O-N 3.17Å; V163-R166 PolarHBondContact O-N 3.21Å; R166-R170 WeakPolarHBondContact O-CB 3.07Å; R166-R170 PolarHBondContact O-N 2.84Å
167	D	83.3	Confident	79.7	Confident	95 Å²	95	58.6 Å²	58.6	51%	0.508	27%	0.274	S	S	.	.	H	α-helix	trans	-64.6	-46	-178.6	-173.9	61.7	0	0	0	111.5	V163 L165 R170 F171	V163-D167 WeakPolarHBondContact O-CB 3.25Å; V163-D167 PolarHBondContact O-N 2.84Å; L165-D167 PolarHBondContact O-N 2.87Å; D167-R170 PolarHBondContact O-N 3.13Å; D167-F171 WeakPolarHBondContact O-CB 3.37Å; D167-F171 PolarHBondContact O-N 2.81Å
168	H	83.2	Confident	77.8	Confident	9 Å²	9	60.1 Å²	60.1	4%	0.042	28%	0.279	C	S	.	.	H	α-helix	trans	-61.9	-50.8	178.5	-178.1	79.9	0	0	0	112	L53 S93 V98 A164 L165 R170 F171 L172	L53-H168 HydrophobicContact CD1-CB 3.71Å; L53-H168 HydrophobicContact CD2-CB 4.47Å; S93-H168 WeakPolarHBondContact CB-CE1 3.23Å; V98-H168 WeakPolarHBondContact CG2-CD2 3.34Å; V98-H168 WeakPolarHBondContact CG2-NE2 3.33Å; A164-H168 WeakPolarHBondContact O-CB 3.46Å; A164-H168 PolarHBondContact O-N 2.91Å; A164-H168 VanDerWaalsContact O-N 3.1Å; L165-H168 PolarHBondContact O-N 3.04Å; H168-R170 VanDerWaalsContact C-N 3.31Å; H168-R170 PolarHBondContact O-N 2.95Å; H168-F171 WeakPolarHBondContact O-CB 3.16Å; H168-F171 PolarHBondContact O-N 3.12Å; H168-F171 VanDerWaalsContact O-N 3.12Å; H168-L172 WeakPolarHBondContact NE2-CD1 3.44Å; H168-L172 WeakPolarHBondContact O-CG 3.3Å; H168-L172 PolarHBondContact O-N 3.43Å
169	F	80.4	Confident	75.8	Confident	15 Å²	15	63.6 Å²	63.6	7%	0.066	30%	0.297	C	S	.	.	H	α-helix	trans	-69.8	-29	179.5	-75.1	-71.9	0	0	0	112.6	V98 I116 S118 Y119 L165 L172 F173	V98-F169 HydrophobicContact CB-CE2 4.3Å; V98-F169 HydrophobicContact CB-CZ 4.15Å; V98-F169 HydrophobicContact CG2-CE2 3.91Å; V98-F169 HydrophobicContact CG2-CZ 3.8Å; I116-F169 HydrophobicContact CG2-CE2 3.81Å; I116-F169 HydrophobicContact CG2-CZ 3.85Å; S118-F169 VanDerWaalsContact CA-CE1 3.44Å; Y119-F169 HydrophobicContact CG-CD2 4.24Å; L165-F169 HydrophobicContact CD2-CE2 4.22Å; L165-F169 VanDerWaalsContact O-CD2 3.23Å; L165-F169 WeakPolarHBondContact O-CD2 3.07Å; L165-F169 PolarHBondContact O-N 3.41Å; F169-L172 HydrophobicContact CD1-CD1 3.92Å; F169-L172 HydrophobicContact CE1-CD1 4.13Å; F169-L172 PolarHBondContact O-N 2.82Å; F169-F173 WeakPolarHBondContact O-CB 3.47Å; F169-F173 PolarHBondContact O-N 3.42Å
170	R	76.8	Confident	73.8	Confident	168 Å²	168	57.8 Å²	57.8	63%	0.634	27%	0.272	S	S	*	.	H	α-helix	trans	-63.6	-42.6	168.5	177.3	178.8	176.6	143.5	1.4	111	R166 D167 H168 F173 L174	R166-R170 WeakPolarHBondContact O-CB 3.07Å; R166-R170 PolarHBondContact O-N 2.84Å; D167-R170 PolarHBondContact O-N 3.13Å; H168-R170 VanDerWaalsContact C-N 3.31Å; H168-R170 PolarHBondContact O-N 2.95Å; R170-F173 WeakPolarHBondContact O-CB 3.26Å; R170-F173 PolarHBondContact O-N 3.47Å; R170-L174 HydrophobicContact CG-CD1 4.03Å; R170-L174 HydrophobicContact CG-CG 4.32Å; R170-L174 WeakPolarHBondContact O-CB 3.24Å; R170-L174 VanDerWaalsContact O-CG 3.27Å; R170-L174 WeakPolarHBondContact O-CG 3.48Å; R170-L174 PolarHBondContact O-N 3.34Å
171	F	67.5	Low	71.8	Confident	115 Å²	115	56.4 Å²	56.4	50%	0.504	27%	0.266	S	S	.	.	H	α-helix	trans	-64.1	-43.2	176.7	178.3	-95.9	0	0	0	111.6	D167 H168 F173 L174 K175	D167-F171 WeakPolarHBondContact O-CB 3.37Å; D167-F171 PolarHBondContact O-N 2.81Å; H168-F171 WeakPolarHBondContact O-CB 3.16Å; H168-F171 PolarHBondContact O-N 3.12Å; H168-F171 VanDerWaalsContact O-N 3.12Å; F171-F173 VanDerWaalsContact C-N 3.34Å; F171-L174 PolarHBondContact O-N 3.42Å; F171-K175 WeakPolarHBondContact O-CB 3.47Å; F171-K175 PolarHBondContact O-N 2.86Å
172	L	67.4	Low	69.6	Low	19 Å²	19	59.1 Å²	59.1	10%	0.099	28%	0.283	C	S	.	.	H	α-helix	trans	-61.3	-44.8	173.4	-66.8	-179.9	0	0	0	111.5	S96 H168 F169 L174 K175 I176	S96-L172 WeakPolarHBondContact O-CD1 3.05Å; H168-L172 WeakPolarHBondContact NE2-CD1 3.44Å; H168-L172 WeakPolarHBondContact O-CG 3.3Å; H168-L172 PolarHBondContact O-N 3.43Å; F169-L172 HydrophobicContact CD1-CD1 3.92Å; F169-L172 HydrophobicContact CE1-CD1 4.13Å; F169-L172 PolarHBondContact O-N 2.82Å; L172-L174 VanDerWaalsContact C-N 3.34Å; L172-L174 PolarHBondContact O-N 2.81Å; L172-K175 WeakPolarHBondContact O-CB 3.33Å; L172-K175 PolarHBondContact O-N 3.47Å; L172-I176 WeakPolarHBondContact O-CG1 3.44Å; L172-I176 PolarHBondContact O-N 2.95Å
173	F	63.2	Low	67.7	Low	76 Å²	76	58.6 Å²	58.6	33%	0.333	28%	0.279	S	S	.	.	H	α-helix	trans	-59.5	-44.3	175.4	-177.7	-83	0	0	0	111.4	F169 R170 F171 I176 A177 Y184	F169-F173 WeakPolarHBondContact O-CB 3.47Å; F169-F173 PolarHBondContact O-N 3.42Å; R170-F173 WeakPolarHBondContact O-CB 3.26Å; R170-F173 PolarHBondContact O-N 3.47Å; F171-F173 VanDerWaalsContact C-N 3.34Å; F173-I176 CarbonylContact O-C 3.46Å; F173-I176 PolarHBondContact O-N 2.9Å; F173-A177 HydrophobicContact CD1-CB 4.37Å; F173-A177 HydrophobicContact CE1-CB 4.42Å; F173-A177 VanDerWaalsContact O-CB 3.24Å; F173-A177 WeakPolarHBondContact O-CB 3.24Å; F173-A177 PolarHBondContact O-N 2.95Å; F173-Y184 HydrophobicContact CD1-CD1 4.4Å; F173-Y184 HydrophobicContact CD1-CE1 4.26Å; F173-Y184 HydrophobicContact CD2-CD1 4.29Å; F173-Y184 AromaticContact CD2-CE1 3.53Å; F173-Y184 HydrophobicContact CD2-CE1 3.53Å; F173-Y184 AromaticContact CD2-CZ 3.99Å; F173-Y184 AromaticContact CE1-CD1 3.54Å; F173-Y184 HydrophobicContact CE1-CD1 3.54Å; F173-Y184 AromaticContact CE1-CE1 3.77Å; F173-Y184 HydrophobicContact CE1-CE1 3.77Å; F173-Y184 HydrophobicContact CE1-CG 4.12Å; F173-Y184 AromaticContact CE2-CD1 3.46Å; F173-Y184 HydrophobicContact CE2-CD1 3.46Å; F173-Y184 VanDerWaalsContact CE2-CD1 3.46Å; F173-Y184 AromaticContact CE2-CE1 3Å; F173-Y184 HydrophobicContact CE2-CE1 3Å; F173-Y184 AromaticContact CE2-CZ 3.92Å; F173-Y184 HydrophobicContact CG-CE1 4.16Å; F173-Y184 AromaticContact CZ-CD1 3.01Å; F173-Y184 HydrophobicContact CZ-CD1 3.01Å; F173-Y184 AromaticContact CZ-CE1 3.14Å; F173-Y184 HydrophobicContact CZ-CE1 3.14Å; F173-Y184 HydrophobicContact CZ-CG 4.01Å
174	L	61.7	Low	65.8	Low	88 Å²	88	56 Å²	56	46%	0.461	26%	0.262	S	S	.	.	H	α-helix	trans	-69.9	-33.7	177.2	-73	174.9	0	0	0	112.6	R170 F171 L172 I176 A177 F178	R170-L174 HydrophobicContact CG-CD1 4.03Å; R170-L174 HydrophobicContact CG-CG 4.32Å; R170-L174 WeakPolarHBondContact O-CB 3.24Å; R170-L174 VanDerWaalsContact O-CG 3.27Å; R170-L174 WeakPolarHBondContact O-CG 3.48Å; R170-L174 PolarHBondContact O-N 3.34Å; F171-L174 PolarHBondContact O-N 3.42Å; L172-L174 VanDerWaalsContact C-N 3.34Å; L172-L174 PolarHBondContact O-N 2.81Å; L174-I176 VanDerWaalsContact C-N 3.26Å; L174-I176 PolarHBondContact O-N 3.47Å; L174-A177 PolarHBondContact O-N 3.34Å; L174-F178 WeakPolarHBondContact O-CB 3.48Å; L174-F178 PolarHBondContact O-N 2.83Å
175	K	61.1	Low	63.9	Low	115 Å²	115	58.5 Å²	58.5	50%	0.5	28%	0.278	S	S	.	.	H	α-helix	trans	-60.4	-41.9	172.5	-173.4	178.8	178.8	-178.3	0	109.9	F171 L172 L179	F171-K175 WeakPolarHBondContact O-CB 3.47Å; F171-K175 PolarHBondContact O-N 2.86Å; L172-K175 WeakPolarHBondContact O-CB 3.33Å; L172-K175 PolarHBondContact O-N 3.47Å; K175-L179 WeakPolarHBondContact O-CG 3.24Å; K175-L179 PolarHBondContact O-N 2.83Å
176	I	55.5	Low	61.8	Low	29 Å²	29	61.8 Å²	61.8	15%	0.149	30%	0.301	C	S	.	.	H	α-helix	trans	-77.3	-39.2	177.8	-61.4	165.4	0	0	0	111	L172 F173 L174 F178 L179 F180 Y184 V299 P302	L172-I176 WeakPolarHBondContact O-CG1 3.44Å; L172-I176 PolarHBondContact O-N 2.95Å; F173-I176 CarbonylContact O-C 3.46Å; F173-I176 PolarHBondContact O-N 2.9Å; L174-I176 VanDerWaalsContact C-N 3.26Å; L174-I176 PolarHBondContact O-N 3.47Å; I176-F178 VanDerWaalsContact C-N 3.26Å; I176-F178 PolarHBondContact O-N 3.37Å; I176-L179 CarbonylContact O-C 3.59Å; I176-L179 WeakPolarHBondContact O-CA 3.37Å; I176-L179 WeakPolarHBondContact O-CB 3.38Å; I176-L179 PolarHBondContact O-N 3.34Å; I176-F180 HydrophobicContact CG2-CD2 4.02Å; I176-F180 WeakPolarHBondContact O-CD2 3.48Å; I176-F180 PolarHBondContact O-N 3.28Å; I176-Y184 HydrophobicContact CB-CE2 4.31Å; I176-Y184 HydrophobicContact CG2-CE2 3.88Å; I176-V299 HydrophobicContact CG2-CG2 3.79Å; I176-P302 HydrophobicContact CD1-CG 3.18Å
177	A	56.2	Low	60.1	Low	14 Å²	14	58.8 Å²	58.8	12%	0.116	29%	0.291	C	S	.	.	H	α-helix	trans	-66.2	-30.6	176.3	0	0	0	0	0	112.8	F173 L174 L179 F180 P181 Y184	F173-A177 HydrophobicContact CD1-CB 4.37Å; F173-A177 HydrophobicContact CE1-CB 4.42Å; F173-A177 VanDerWaalsContact O-CB 3.24Å; F173-A177 WeakPolarHBondContact O-CB 3.24Å; F173-A177 PolarHBondContact O-N 2.95Å; L174-A177 PolarHBondContact O-N 3.34Å; A177-L179 VanDerWaalsContact C-N 3.29Å; A177-F180 CarbonylContact O-C 3.46Å; A177-F180 PolarHBondContact O-N 3.11Å; A177-P181 WeakPolarHBondContact O-CA 3.31Å; A177-P181 WeakPolarHBondContact O-CD 3.34Å; A177-Y184 VanDerWaalsContact CA-CE2 3.42Å; A177-Y184 HydrophobicContact CB-CD2 3.29Å; A177-Y184 HydrophobicContact CB-CE2 3.68Å; A177-Y184 HydrophobicContact CB-CG 3.7Å
178	F	54.8	Low	58.5	Low	76 Å²	76	57.9 Å²	57.9	33%	0.333	29%	0.287	S	S	.	.	H	α-helix	trans	-66.3	-33.6	169.7	-176.8	-100.7	0	0	0	112.3	L174 I176 L417 K424	L174-F178 WeakPolarHBondContact O-CB 3.48Å; L174-F178 PolarHBondContact O-N 2.83Å; I176-F178 VanDerWaalsContact C-N 3.26Å; I176-F178 PolarHBondContact O-N 3.37Å; F178-L417 WeakPolarHBondContact O-CD2 3.39Å; F178-K424 VanDerWaalsContact CD1-NZ 3.34Å; F178-K424 HydrophobicContact CE2-CD 4.15Å; F178-K424 HydrophobicContact CZ-CD 4.49Å
179	L	50.3	Low	57	Low	75 Å²	75	61.1 Å²	61.1	39%	0.393	31%	0.305	S	S	.	.	H	α-helix	trans	-75.1	-28	171.9	-63.9	171.7	0	0	0	111.8	K175 I176 A177 V299 I311	K175-L179 WeakPolarHBondContact O-CG 3.24Å; K175-L179 PolarHBondContact O-N 2.83Å; I176-L179 CarbonylContact O-C 3.59Å; I176-L179 WeakPolarHBondContact O-CA 3.37Å; I176-L179 WeakPolarHBondContact O-CB 3.38Å; I176-L179 PolarHBondContact O-N 3.34Å; A177-L179 VanDerWaalsContact C-N 3.29Å; L179-V299 HydrophobicContact CD1-CG1 4.18Å; L179-I311 WeakPolarHBondContact O-CD1 3.18Å
180	F	54.6	Low	55.8	Low	2 Å²	2	68 Å²	68	1%	0.009	33%	0.33	C	S	.	.			trans	-135.9	63	-173.8	-59.5	-87	0	0	0	113.1	I176 A177 V182 Y183 Y184 V299 H309 I311 H326	I176-F180 HydrophobicContact CG2-CD2 4.02Å; I176-F180 WeakPolarHBondContact O-CD2 3.48Å; I176-F180 PolarHBondContact O-N 3.28Å; A177-F180 CarbonylContact O-C 3.46Å; A177-F180 PolarHBondContact O-N 3.11Å; F180-V182 PolarHBondContact O-N 3.23Å; F180-Y183 WeakPolarHBondContact O-CB 3.41Å; F180-Y183 PolarHBondContact O-N 2.85Å; F180-Y184 WeakPolarHBondContact O-CD2 3.47Å; F180-Y184 PolarHBondContact O-N 3.05Å; F180-V299 HydrophobicContact CD2-CG2 3.78Å; F180-V299 HydrophobicContact CE2-CB 4.08Å; F180-V299 HydrophobicContact CE2-CG1 3.86Å; F180-V299 HydrophobicContact CE2-CG2 3.13Å; F180-V299 HydrophobicContact CZ-CG1 4.33Å; F180-V299 HydrophobicContact CZ-CG2 3.74Å; F180-H309 HydrophobicContact CD1-CB 3.8Å; F180-H309 HydrophobicContact CE1-CB 3.77Å; F180-H309 HydrophobicContact CG-CB 4.21Å; F180-H309 HydrophobicContact CZ-CB 4.23Å; F180-H309 WeakPolarHBondContact CZ-O 3.24Å; F180-I311 HydrophobicContact CD1-CD1 3.56Å; F180-I311 HydrophobicContact CD1-CG1 3.75Å; F180-I311 HydrophobicContact CE1-CB 4.4Å; F180-I311 HydrophobicContact CE1-CD1 3.7Å; F180-I311 HydrophobicContact CE1-CG1 3.64Å; F180-I311 HydrophobicContact CG-CD1 4.31Å; F180-H326 AromaticContact CD1-CD2 3.63Å; F180-H326 AromaticContact CD1-NE2 3.75Å
181	P	51.1	Low	54.8	Low	32 Å²	32	68 Å²	68	21%	0.208	33%	0.33	C	S	.	.	H	α-helix	trans	-65.8	-37.6	-171.1	25.5	-35.6	0	0	0	113.1	A177 Y183 Y184 S185 L417	A177-P181 WeakPolarHBondContact O-CA 3.31Å; A177-P181 WeakPolarHBondContact O-CD 3.34Å; P181-Y183 VanDerWaalsContact C-N 3.35Å; P181-Y183 PolarHBondContact O-N 3.41Å; P181-Y184 PolarHBondContact O-N 3.13Å; P181-S185 PolarHBondContact O-N 3.14Å; P181-L417 HydrophobicContact CG-CD2 3.78Å
182	V	48.9	Very low	54.4	Low	60 Å²	60	68.1 Å²	68.1	36%	0.364	33%	0.332	S	S	.	.	H	α-helix	trans	-63	-40.6	179.1	-179.8	0	0	0	0	111.4	F180 Y184 C186	F180-V182 PolarHBondContact O-N 3.23Å; V182-Y184 PolarHBondContact O-N 3.46Å; V182-C186 PolarHBondContact O-N 3.47Å
183	Y	50	Low	54.4	Low	19 Å²	19	72.4 Å²	72.4	8%	0.075	35%	0.352	C	S	.	.	H	α-helix	trans	-58	-48.3	176.6	-177.1	-125.4	0	0	0	112.1	F180 P181 K187 L301 E307 H309 H326 F345	F180-Y183 WeakPolarHBondContact O-CB 3.41Å; F180-Y183 PolarHBondContact O-N 2.85Å; P181-Y183 VanDerWaalsContact C-N 3.35Å; P181-Y183 PolarHBondContact O-N 3.41Å; Y183-K187 HydrophobicContact CE1-CD 4.08Å; Y183-K187 HydrophobicContact CE2-CD 4.4Å; Y183-K187 WeakPolarHBondContact O-CB 3.27Å; Y183-K187 PolarHBondContact O-N 3.08Å; Y183-K187 PolarHBondContact OH-NZ 3.13Å; Y183-L301 HydrophobicContact CE1-CD1 3.9Å; Y183-E307 PolarHBondContact OH-OE1 3.18Å; Y183-H309 AromaticContact CD1-CD2 3.98Å; Y183-H309 AromaticContact CD1-NE2 3.91Å; Y183-H309 AromaticContact CD2-CE1 3.22Å; Y183-H309 WeakPolarHBondContact CD2-CE1 3.3Å; Y183-H309 AromaticContact CD2-ND1 3.65Å; Y183-H309 AromaticContact CD2-NE2 3.79Å; Y183-H309 AromaticContact CE1-CD2 3.65Å; Y183-H309 AromaticContact CE1-CE1 3.81Å; Y183-H309 AromaticContact CE1-NE2 3.34Å; Y183-H309 VanDerWaalsContact CE1-NE2 3.34Å; Y183-H309 WeakPolarHBondContact CE1-NE2 3.16Å; Y183-H309 AromaticContact CE2-CE1 2.92Å; Y183-H309 WeakPolarHBondContact CE2-CE1 3.5Å; Y183-H309 AromaticContact CE2-ND1 3.82Å; Y183-H309 AromaticContact CE2-NE2 3.18Å; Y183-H309 WeakPolarHBondContact CE2-NE2 3.43Å; Y183-H309 AromaticContact CG-CE1 3.76Å; Y183-H309 AromaticContact CG-ND1 3.85Å; Y183-H309 AromaticContact CZ-CD2 3.72Å; Y183-H309 AromaticContact CZ-CE1 3.24Å; Y183-H309 AromaticContact CZ-NE2 2.89Å; Y183-H309 PolarHBondContact OH-NE2 3.48Å; Y183-H326 WeakPolarHBondContact CB-CE1 3.17Å; Y183-H326 AromaticContact CD2-CE1 3.72Å; Y183-H326 AromaticContact CG-CE1 3.73Å; Y183-F345 HydrophobicContact CD2-CE2 4.4Å
184	Y	49.9	Very low	54.6	Low	9 Å²	9	73.1 Å²	73.1	4%	0.035	36%	0.358	C	S	.	.	H	α-helix	trans	-80.4	-28.3	-172.1	-78	-73.9	0	0	0	113.5	F173 I176 A177 F180 P181 V182 N188	F173-Y184 HydrophobicContact CD1-CD1 4.4Å; F173-Y184 HydrophobicContact CD1-CE1 4.26Å; F173-Y184 HydrophobicContact CD2-CD1 4.29Å; F173-Y184 AromaticContact CD2-CE1 3.53Å; F173-Y184 HydrophobicContact CD2-CE1 3.53Å; F173-Y184 AromaticContact CD2-CZ 3.99Å; F173-Y184 AromaticContact CE1-CD1 3.54Å; F173-Y184 HydrophobicContact CE1-CD1 3.54Å; F173-Y184 AromaticContact CE1-CE1 3.77Å; F173-Y184 HydrophobicContact CE1-CE1 3.77Å; F173-Y184 HydrophobicContact CE1-CG 4.12Å; F173-Y184 AromaticContact CE2-CD1 3.46Å; F173-Y184 HydrophobicContact CE2-CD1 3.46Å; F173-Y184 VanDerWaalsContact CE2-CD1 3.46Å; F173-Y184 AromaticContact CE2-CE1 3Å; F173-Y184 HydrophobicContact CE2-CE1 3Å; F173-Y184 AromaticContact CE2-CZ 3.92Å; F173-Y184 HydrophobicContact CG-CE1 4.16Å; F173-Y184 AromaticContact CZ-CD1 3.01Å; F173-Y184 HydrophobicContact CZ-CD1 3.01Å; F173-Y184 AromaticContact CZ-CE1 3.14Å; F173-Y184 HydrophobicContact CZ-CE1 3.14Å; F173-Y184 HydrophobicContact CZ-CG 4.01Å; I176-Y184 HydrophobicContact CB-CE2 4.31Å; I176-Y184 HydrophobicContact CG2-CE2 3.88Å; A177-Y184 VanDerWaalsContact CA-CE2 3.42Å; A177-Y184 HydrophobicContact CB-CD2 3.29Å; A177-Y184 HydrophobicContact CB-CE2 3.68Å; A177-Y184 HydrophobicContact CB-CG 3.7Å; F180-Y184 WeakPolarHBondContact O-CD2 3.47Å; F180-Y184 PolarHBondContact O-N 3.05Å; P181-Y184 PolarHBondContact O-N 3.13Å; V182-Y184 PolarHBondContact O-N 3.46Å; Y184-N188 WeakPolarHBondContact O-CB 3.45Å; Y184-N188 PolarHBondContact O-N 3.27Å
185	S	53.7	Low	55	Low	67 Å²	67	72.3 Å²	72.3	47%	0.469	35%	0.354	S	S	.	.	H	α-helix	trans	-59.8	-55.5	168.5	-163.4	0	0	0	0	109.9	P181 K187 N188 D189	P181-S185 PolarHBondContact O-N 3.14Å; S185-K187 VanDerWaalsContact C-N 3.28Å; S185-K187 PolarHBondContact O-N 2.67Å; S185-N188 PolarHBondContact O-N 3.08Å; S185-N188 VanDerWaalsContact O-N 3.07Å; S185-D189 VanDerWaalsContact O-CG 3.26Å; S185-D189 PolarHBondContact O-N 3.06Å
186	C	44.4	Very low	55.8	Low	70 Å²	70	71.4 Å²	71.4	47%	0.473	35%	0.352	S	S	.	.	H	α-helix	trans	-61.4	-32.9	-179.2	-177.6	0	0	0	0	113.3	V182 R190	V182-C186 PolarHBondContact O-N 3.47Å; C186-R190 PolarHBondContact O-N 3.09Å
187	K	47.7	Very low	56.7	Low	81 Å²	81	74.9 Å²	74.9	35%	0.352	37%	0.368	S	S	.	.	H	α-helix	trans	-74.6	-32.7	176.6	-150.5	179.8	-168.8	172.6	0	113	Y183 S185 R191	Y183-K187 HydrophobicContact CE1-CD 4.08Å; Y183-K187 HydrophobicContact CE2-CD 4.4Å; Y183-K187 WeakPolarHBondContact O-CB 3.27Å; Y183-K187 PolarHBondContact O-N 3.08Å; Y183-K187 PolarHBondContact OH-NZ 3.13Å; S185-K187 VanDerWaalsContact C-N 3.28Å; S185-K187 PolarHBondContact O-N 2.67Å; K187-R191 PolarHBondContact O-N 3.35Å
188	N	51	Low	57.6	Low	77 Å²	77	77.2 Å²	77.2	41%	0.412	38%	0.378	S	S	.	.	H	α-helix	trans	-72.1	-43.8	173.6	-77.7	-11	0	0	0	111	Y184 S185 R190 R191 E192	Y184-N188 WeakPolarHBondContact O-CB 3.45Å; Y184-N188 PolarHBondContact O-N 3.27Å; S185-N188 PolarHBondContact O-N 3.08Å; S185-N188 VanDerWaalsContact O-N 3.07Å; N188-R190 VanDerWaalsContact C-N 3.34Å; N188-R190 PolarHBondContact O-N 3.07Å; N188-R191 CarbonylContact O-C 3.56Å; N188-R191 WeakPolarHBondContact O-CA 3.28Å; N188-R191 WeakPolarHBondContact O-CB 3.34Å; N188-R191 PolarHBondContact O-N 2.82Å; N188-E192 PolarHBondContact O-N 2.81Å
189	D	52	Low	58.6	Low	77 Å²	77	79.1 Å²	79.1	41%	0.412	39%	0.388	S	S	.	.	H	α-helix	trans	-55.6	-48.9	176.4	-61.5	-30.5	0	0	0	110.7	S185 R191 E192 E193	S185-D189 VanDerWaalsContact O-CG 3.26Å; S185-D189 PolarHBondContact O-N 3.06Å; D189-R191 VanDerWaalsContact C-N 3.26Å; D189-R191 PolarHBondContact O-N 3.33Å; D189-E192 WeakPolarHBondContact O-CB 3.37Å; D189-E192 PolarHBondContact O-N 3.3Å; D189-E192 VanDerWaalsContact O-N 3.13Å; D189-E193 WeakPolarHBondContact O-CG 3.36Å; D189-E193 PolarHBondContact O-N 3.49Å
190	R	54.2	Low	60	Low	160 Å²	160	82.7 Å²	82.7	60%	0.604	40%	0.396	S	S	*	.	H	α-helix	trans	-62.5	-31.1	176	-170.8	-176.4	-62.2	-87.2	-3.6	113.3	C186 N188 L194	C186-R190 PolarHBondContact O-N 3.09Å; N188-R190 VanDerWaalsContact C-N 3.34Å; N188-R190 PolarHBondContact O-N 3.07Å; R190-L194 VanDerWaalsContact O-CB 3.28Å; R190-L194 WeakPolarHBondContact O-CB 3.41Å; R190-L194 PolarHBondContact O-N 3.24Å
191	R	55	Low	60.7	Low	167 Å²	167	88.5 Å²	88.5	63%	0.63	42%	0.423	S	S	*	.	H	α-helix	trans	-73.3	-36.6	176.9	-176.8	178.4	177.7	145.2	2.2	110.9	K187 N188 D189 N195	K187-R191 PolarHBondContact O-N 3.35Å; N188-R191 CarbonylContact O-C 3.56Å; N188-R191 WeakPolarHBondContact O-CA 3.28Å; N188-R191 WeakPolarHBondContact O-CB 3.34Å; N188-R191 PolarHBondContact O-N 2.82Å; D189-R191 VanDerWaalsContact C-N 3.26Å; D189-R191 PolarHBondContact O-N 3.33Å; R191-N195 WeakPolarHBondContact O-CB 3.38Å; R191-N195 PolarHBondContact O-N 3.46Å; R191-N195 PolarHBondContact O-ND2 2.89Å
192	E	59.3	Low	61.5	Low	117 Å²	117	93 Å²	93	55%	0.547	44%	0.442	S	S	.	.	H	α-helix	trans	-64.5	-48.6	171.7	-69.7	175.6	-172.6	0	0	110.1	N188 D189 L194 N195 E196	N188-E192 PolarHBondContact O-N 2.81Å; D189-E192 WeakPolarHBondContact O-CB 3.37Å; D189-E192 PolarHBondContact O-N 3.3Å; D189-E192 VanDerWaalsContact O-N 3.13Å; E192-L194 VanDerWaalsContact C-N 3.32Å; E192-L194 PolarHBondContact O-N 2.78Å; E192-N195 PolarHBondContact O-N 3.27Å; E192-N195 VanDerWaalsContact O-N 3.14Å; E192-E196 WeakPolarHBondContact O-CB 3.4Å; E192-E196 WeakPolarHBondContact O-CG 3.32Å; E192-E196 PolarHBondContact O-N 2.87Å
193	E	69	Low	62.5	Low	109 Å²	109	96.5 Å²	96.5	51%	0.509	46%	0.458	S	S	.	.	H	α-helix	trans	-54.6	-44.6	173.4	-70	170.5	177.6	0	0	112.6	D189 E196 E197	D189-E193 WeakPolarHBondContact O-CG 3.36Å; D189-E193 PolarHBondContact O-N 3.49Å; E193-E196 PolarHBondContact O-N 3.35Å; E193-E197 WeakPolarHBondContact O-CB 3.35Å; E193-E197 PolarHBondContact O-N 3.19Å
194	L	67.4	Low	63.6	Low	91 Å²	91	99.1 Å²	99.1	48%	0.476	47%	0.473	S	S	.	.	H	α-helix	trans	-68	-41.2	177.5	-178.3	68.2	0	0	0	112.1	R190 E192 E196 E197 I198	R190-L194 VanDerWaalsContact O-CB 3.28Å; R190-L194 WeakPolarHBondContact O-CB 3.41Å; R190-L194 PolarHBondContact O-N 3.24Å; E192-L194 VanDerWaalsContact C-N 3.32Å; E192-L194 PolarHBondContact O-N 2.78Å; L194-E196 VanDerWaalsContact C-N 3.33Å; L194-E197 PolarHBondContact O-N 3.15Å; L194-I198 HydrophobicContact CG-CD1 4.06Å; L194-I198 WeakPolarHBondContact O-CB 3.27Å; L194-I198 VanDerWaalsContact O-CG1 3.24Å; L194-I198 WeakPolarHBondContact O-CG1 3.47Å; L194-I198 PolarHBondContact O-N 3.14Å
195	N	68.4	Low	64.3	Low	71 Å²	71	104.4 Å²	104.4	38%	0.38	51%	0.509	S	S	.	.	H	α-helix	trans	-64.2	-41	175.6	-75.7	-13.1	0	0	0	110.7	R191 E192 I198 E199	R191-N195 WeakPolarHBondContact O-CB 3.38Å; R191-N195 PolarHBondContact O-N 3.46Å; R191-N195 PolarHBondContact O-ND2 2.89Å; E192-N195 PolarHBondContact O-N 3.27Å; E192-N195 VanDerWaalsContact O-N 3.14Å; N195-I198 PolarHBondContact O-N 3.31Å; N195-E199 WeakPolarHBondContact O-CB 3.36Å; N195-E199 WeakPolarHBondContact O-CG 3.49Å; N195-E199 PolarHBondContact O-N 3.49Å
196	E	77.6	Confident	65	Low	97 Å²	97	108.2 Å²	108.2	45%	0.453	52%	0.524	S	S	.	.	H	α-helix	trans	-63.4	-39.8	173.5	-73.2	-179.9	-173.1	0	0	111.8	E192 E193 L194 E199 R200	E192-E196 WeakPolarHBondContact O-CB 3.4Å; E192-E196 WeakPolarHBondContact O-CG 3.32Å; E192-E196 PolarHBondContact O-N 2.87Å; E193-E196 PolarHBondContact O-N 3.35Å; L194-E196 VanDerWaalsContact C-N 3.33Å; E196-E199 PolarHBondContact O-N 2.82Å; E196-R200 WeakPolarHBondContact O-CB 3.48Å; E196-R200 VanDerWaalsContact O-CG 3.27Å; E196-R200 WeakPolarHBondContact O-CG 3.37Å; E196-R200 PolarHBondContact O-N 3.23Å; E196-R200 IonicContact OE2-NH1 3.37Å
197	E	75.9	Confident	65.8	Low	101 Å²	101	111.3 Å²	111.3	47%	0.472	53%	0.526	S	S	.	.	H	α-helix	trans	-64.1	-44.3	174.4	-169.3	166.8	-151.6	0	0	111.3	E193 L194 E199 R200 E201	E193-E197 WeakPolarHBondContact O-CB 3.35Å; E193-E197 PolarHBondContact O-N 3.19Å; L194-E197 PolarHBondContact O-N 3.15Å; E197-E199 PolarHBondContact O-N 3.44Å; E197-R200 PolarHBondContact O-N 2.81Å; E197-E201 WeakPolarHBondContact O-CB 3.05Å; E197-E201 WeakPolarHBondContact O-CG 3.12Å; E197-E201 PolarHBondContact O-N 3Å
198	I	73.8	Confident	65.9	Low	64 Å²	64	113.1 Å²	113.1	33%	0.328	55%	0.546	S	S	.	.	H	α-helix	trans	-61.6	-42.1	173.1	-68.9	165.2	0	0	0	111.1	L194 N195 E201 Q202	L194-I198 HydrophobicContact CG-CD1 4.06Å; L194-I198 WeakPolarHBondContact O-CB 3.27Å; L194-I198 VanDerWaalsContact O-CG1 3.24Å; L194-I198 WeakPolarHBondContact O-CG1 3.47Å; L194-I198 PolarHBondContact O-N 3.14Å; N195-I198 PolarHBondContact O-N 3.31Å; I198-E201 PolarHBondContact O-N 3.26Å; I198-Q202 HydrophobicContact CG2-CG 4.34Å; I198-Q202 VanDerWaalsContact O-CB 3.3Å; I198-Q202 WeakPolarHBondContact O-CB 3.3Å; I198-Q202 WeakPolarHBondContact O-CG 3.17Å; I198-Q202 PolarHBondContact O-N 3.39Å
199	E	76.8	Confident	65.9	Low	116 Å²	116	117.6 Å²	117.6	54%	0.542	56%	0.561	S	S	.	*	H	α-helix	trans	-66.3	-37.5	176.3	-76.9	177.9	-170.9	0	0	111.7	N195 E196 E197 Q202 N203	N195-E199 WeakPolarHBondContact O-CB 3.36Å; N195-E199 WeakPolarHBondContact O-CG 3.49Å; N195-E199 PolarHBondContact O-N 3.49Å; E196-E199 PolarHBondContact O-N 2.82Å; E197-E199 PolarHBondContact O-N 3.44Å; E199-Q202 PolarHBondContact O-N 3.28Å; E199-N203 VanDerWaalsContact O-CB 3.26Å; E199-N203 WeakPolarHBondContact O-CB 3.48Å; E199-N203 VanDerWaalsContact O-CG 3.31Å; E199-N203 PolarHBondContact O-N 2.81Å; E199-N203 PolarHBondContact O-ND2 3.32Å
200	R	78.8	Confident	66.3	Low	149 Å²	149	120 Å²	120	56%	0.562	57%	0.574	S	S	*	*	H	α-helix	trans	-65	-45.8	172.5	-77.1	-174.8	-70.2	-114.5	-1.4	111.3	E196 E197 Q202 N203 D204	E196-R200 WeakPolarHBondContact O-CB 3.48Å; E196-R200 VanDerWaalsContact O-CG 3.27Å; E196-R200 WeakPolarHBondContact O-CG 3.37Å; E196-R200 PolarHBondContact O-N 3.23Å; E196-R200 IonicContact OE2-NH1 3.37Å; E197-R200 PolarHBondContact O-N 2.81Å; R200-Q202 VanDerWaalsContact C-N 3.33Å; R200-Q202 PolarHBondContact O-N 3.09Å; R200-N203 CarbonylContact O-C 3.45Å; R200-N203 PolarHBondContact O-N 3.5Å; R200-D204 WeakPolarHBondContact O-CB 3.33Å; R200-D204 PolarHBondContact O-N 3.01Å
201	E	70.1	Confident	66.3	Low	124 Å²	124	118.2 Å²	118.2	58%	0.579	58%	0.576	S	S	*	*	H	α-helix	trans	-64.1	-35.5	175.3	-74.3	-176.1	169.4	0	0	112.5	E197 I198	E197-E201 WeakPolarHBondContact O-CB 3.05Å; E197-E201 WeakPolarHBondContact O-CG 3.12Å; E197-E201 PolarHBondContact O-N 3Å; I198-E201 PolarHBondContact O-N 3.26Å
202	Q	67.6	Low	66.6	Low	128 Å²	128	117.3 Å²	117.3	60%	0.598	58%	0.583	S	S	*	*	H	α-helix	trans	-71.7	-33.5	175.9	-76.7	178.3	22.7	0	0	112.5	I198 E199 R200	I198-Q202 HydrophobicContact CG2-CG 4.34Å; I198-Q202 VanDerWaalsContact O-CB 3.3Å; I198-Q202 WeakPolarHBondContact O-CB 3.3Å; I198-Q202 WeakPolarHBondContact O-CG 3.17Å; I198-Q202 PolarHBondContact O-N 3.39Å; E199-Q202 PolarHBondContact O-N 3.28Å; R200-Q202 VanDerWaalsContact C-N 3.33Å; R200-Q202 PolarHBondContact O-N 3.09Å
203	N	69.5	Low	66.4	Low	132 Å²	132	113.8 Å²	113.8	71%	0.706	58%	0.578	S	S	*	*	H	α-helix	trans	-92.5	-0.5	177.6	-69.8	-47.6	0	0	0	113.8	E199 R200 P205	E199-N203 VanDerWaalsContact O-CB 3.26Å; E199-N203 WeakPolarHBondContact O-CB 3.48Å; E199-N203 VanDerWaalsContact O-CG 3.31Å; E199-N203 PolarHBondContact O-N 2.81Å; E199-N203 PolarHBondContact O-ND2 3.32Å; R200-N203 CarbonylContact O-C 3.45Å; R200-N203 PolarHBondContact O-N 3.5Å; N203-P205 WeakPolarHBondContact O-CD 3.3Å
204	D	72.6	Confident	65.6	Low	74 Å²	74	114.3 Å²	114.3	40%	0.396	58%	0.579	S	S	.	*			trans	-63.4	117.8	178.5	-178	5.5	0	0	0	110	R200 D206 R207	R200-D204 WeakPolarHBondContact O-CB 3.33Å; R200-D204 PolarHBondContact O-N 3.01Å; D204-D206 PolarHBondContact O-N 3.48Å; D204-D206 PolarHBondContact OD1-N 3.14Å; D204-R207 HydrophobicContact CB-CB 4.46Å; D204-R207 VanDerWaalsContact O-CB 3.3Å; D204-R207 WeakPolarHBondContact O-CB 3.37Å; D204-R207 PolarHBondContact O-N 3.5Å
205	P	66.3	Low	65.4	Low	121 Å²	121	118 Å²	118	79%	0.786	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.9	-23.1	176.9	27.1	-34.8	0	0	0	113.6	N203	N203-P205 WeakPolarHBondContact O-CD 3.3Å
206	D	67.7	Low	65.4	Low	147 Å²	147	124.5 Å²	124.5	79%	0.786	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	-2.1	-179.6	-80.3	-24	0	0	0	113.6	D204	D204-D206 PolarHBondContact O-N 3.48Å; D204-D206 PolarHBondContact OD1-N 3.14Å
207	R	61.5	Low	65	Low	134 Å²	134	123.7 Å²	123.7	51%	0.506	64%	0.637	S	S	.	*	S	Bend	trans	-50.6	131.6	169.2	163.2	177.5	170.2	-133.4	-3.2	109	D204 K209	D204-R207 HydrophobicContact CB-CB 4.46Å; D204-R207 VanDerWaalsContact O-CB 3.3Å; D204-R207 WeakPolarHBondContact O-CB 3.37Å; D204-R207 PolarHBondContact O-N 3.5Å; R207-K209 VanDerWaalsContact C-N 3.3Å; R207-K209 PolarHBondContact O-N 3.25Å
208	P	50.4	Low	64.3	Low	120 Å²	120	124.7 Å²	124.7	78%	0.779	64%	0.642	S	S	*	*			trans	-59.7	99.7	169.6	21.4	-28.8	0	0	0	108.2	L210	P208-L210 PolarHBondContact O-N 3.44Å
209	K	50.4	Low	64.3	Low	170 Å²	170	127.4 Å²	127.4	74%	0.739	66%	0.661	S	S	*	*			trans	-57.4	109.3	177.9	-169.5	175.6	-177.9	-176.9	0	105.6	R207 D211	R207-K209 VanDerWaalsContact C-N 3.3Å; R207-K209 PolarHBondContact O-N 3.25Å; K209-D211 PolarHBondContact O-N 2.7Å
210	L	60.6	Low	63.4	Low	128 Å²	128	126.6 Å²	126.6	67%	0.67	66%	0.66	S	S	*	*			trans	-64.5	91	171	-178.3	70.1	0	0	0	105.9	P208 L212	P208-L210 PolarHBondContact O-N 3.44Å; L210-L212 VanDerWaalsContact C-N 3.31Å; L210-L212 HydrophobicContact CD2-CD1 4.46Å; L210-L212 HydrophobicContact CD2-CD2 4.02Å; L210-L212 HydrophobicContact CD2-CG 4.25Å; L210-L212 HydrophobicContact CG-CD2 3.96Å; L210-L212 HydrophobicContact CG-CG 4.15Å; L210-L212 PolarHBondContact O-N 3.08Å
211	D	54	Low	62.4	Low	123 Å²	123	125.1 Å²	125.1	66%	0.658	67%	0.667	S	S	*	*			trans	-75.9	90.3	-176.1	-151.3	5.5	0	0	0	107.4	K209 G213	K209-D211 PolarHBondContact O-N 2.7Å; D211-G213 PolarHBondContact O-N 3.16Å
212	L	61.3	Low	61.9	Low	147 Å²	147	125.4 Å²	125.4	77%	0.77	67%	0.673	S	S	*	*			trans	-79.1	2.1	170.2	-60.5	178.5	0	0	0	111.2	L210	L210-L212 VanDerWaalsContact C-N 3.31Å; L210-L212 HydrophobicContact CD2-CD1 4.46Å; L210-L212 HydrophobicContact CD2-CD2 4.02Å; L210-L212 HydrophobicContact CD2-CG 4.25Å; L210-L212 HydrophobicContact CG-CD2 3.96Å; L210-L212 HydrophobicContact CG-CG 4.15Å; L210-L212 PolarHBondContact O-N 3.08Å
213	G	55	Low	60.7	Low	43 Å²	43	127 Å²	127	44%	0.443	69%	0.685	S	S	.	*	S	Bend	trans	-64.1	137.8	166.7	0	0	0	0	0	110.2	D211 K215	D211-G213 PolarHBondContact O-N 3.16Å; G213-K215 PolarHBondContact O-N 2.94Å
214	F	52.2	Low	59.7	Low	120 Å²	120	127.9 Å²	127.9	53%	0.526	69%	0.688	S	S	.	*	P	Polyproline II helix	trans	-55.6	128.3	170.3	-71.8	-78.9	0	0	0	109.2	Q218 I220	F214-Q218 HydrophobicContact CB-CB 3.94Å; F214-Q218 WeakPolarHBondContact CB-O 3.32Å; F214-Q218 HydrophobicContact CD1-CB 3.75Å; F214-Q218 HydrophobicContact CG-CB 4.28Å; F214-I220 HydrophobicContact CD2-CD1 4.07Å; F214-I220 HydrophobicContact CD2-CG1 4.27Å; F214-I220 HydrophobicContact CE1-CD1 4.23Å; F214-I220 HydrophobicContact CE1-CG1 3.77Å; F214-I220 HydrophobicContact CE2-CD1 3.1Å; F214-I220 HydrophobicContact CE2-CG1 3.52Å; F214-I220 HydrophobicContact CZ-CD1 3.21Å; F214-I220 HydrophobicContact CZ-CG1 3.22Å
215	K	62.6	Low	58.1	Low	170 Å²	170	127.7 Å²	127.7	74%	0.739	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-59.8	142.5	171.1	-67.7	-172.5	175.4	-173.4	0	108.6	G213 G217 Q218	G213-K215 PolarHBondContact O-N 2.94Å; K215-G217 PolarHBondContact O-N 2.76Å; K215-G217 VanDerWaalsContact O-N 3.15Å; K215-Q218 PolarHBondContact O-N 2.72Å
216	E	68.2	Low	56.8	Low	206 Å²	206	131.9 Å²	131.9	96%	0.963	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-43.7	122.4	-180	-74.2	-179.7	151.3	0	0	111
217	G	70.5	Confident	55.1	Low	81 Å²	81	136.9 Å²	136.9	84%	0.835	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	100.3	-11.1	-176.5	0	0	0	0	0	115.9	K215	K215-G217 PolarHBondContact O-N 2.76Å; K215-G217 VanDerWaalsContact O-N 3.15Å
218	Q	60.8	Low	54	Low	122 Å²	122	135.5 Å²	135.5	57%	0.57	74%	0.735	S	S	*	*			trans	-86.4	110.3	169.2	-73.4	-176.6	-15.3	0	0	110.5	F214 K215	F214-Q218 HydrophobicContact CB-CB 3.94Å; F214-Q218 WeakPolarHBondContact CB-O 3.32Å; F214-Q218 HydrophobicContact CD1-CB 3.75Å; F214-Q218 HydrophobicContact CG-CB 4.28Å; K215-Q218 PolarHBondContact O-N 2.72Å
219	T	73.6	Confident	53.1	Low	120 Å²	120	134.3 Å²	134.3	74%	0.736	74%	0.735	S	S	*	*			trans	-106.5	130.1	174.1	-63.8	0	0	0	0	110.2	T221	T219-T221 PolarHBondContact O-N 3.08Å
220	I	57.2	Low	52.1	Low	99 Å²	99	131.5 Å²	131.5	51%	0.508	74%	0.737	S	S	.	*			trans	-76.3	111.8	168.1	-56.4	163.9	0	0	0	108	F214 L222	F214-I220 HydrophobicContact CD2-CD1 4.07Å; F214-I220 HydrophobicContact CD2-CG1 4.27Å; F214-I220 HydrophobicContact CE1-CD1 4.23Å; F214-I220 HydrophobicContact CE1-CG1 3.77Å; F214-I220 HydrophobicContact CE2-CD1 3.1Å; F214-I220 HydrophobicContact CE2-CG1 3.52Å; F214-I220 HydrophobicContact CZ-CD1 3.21Å; F214-I220 HydrophobicContact CZ-CG1 3.22Å; I220-L222 HydrophobicContact CG2-CD2 3.96Å; I220-L222 HydrophobicContact CG2-CG 4.02Å; I220-L222 PolarHBondContact O-N 3.06Å
221	T	59	Low	50.8	Low	118 Å²	118	130.4 Å²	130.4	72%	0.724	74%	0.74	S	S	*	*			trans	-76.5	105.3	172.5	39.1	0	0	0	0	110.1	T219	T219-T221 PolarHBondContact O-N 3.08Å
222	L	58.3	Low	49.8	Very low	131 Å²	131	129.9 Å²	129.9	69%	0.686	75%	0.746	S	S	*	*			trans	-99.9	93.4	171.9	-65.2	175.1	0	0	0	109.4	I220 I224	I220-L222 HydrophobicContact CG2-CD2 3.96Å; I220-L222 HydrophobicContact CG2-CG 4.02Å; I220-L222 PolarHBondContact O-N 3.06Å; L222-I224 VanDerWaalsContact C-N 3.28Å; L222-I224 HydrophobicContact CB-CD1 4.45Å; L222-I224 PolarHBondContact O-N 3.43Å
223	N	42.3	Very low	48.6	Very low	161 Å²	161	128.7 Å²	128.7	86%	0.861	75%	0.75	S	S	*	*			trans	-78	80.3	172.4	-76	-2.9	0	0	0	109.8
224	I	49.8	Very low	47.4	Very low	150 Å²	150	136.2 Å²	136.2	77%	0.769	77%	0.765	S	S	*	*			trans	-86.3	118.3	169.7	-61.4	163.7	0	0	0	107.2	L222 K226	L222-I224 VanDerWaalsContact C-N 3.28Å; L222-I224 HydrophobicContact CB-CD1 4.45Å; L222-I224 PolarHBondContact O-N 3.43Å; I224-K226 PolarHBondContact O-N 2.79Å
225	G	37.6	Very low	46.6	Very low	71 Å²	71	136.4 Å²	136.4	73%	0.732	78%	0.778	S	S	*	*			trans	-50.1	128.4	-158.7	0	0	0	0	0	116.8
226	K	40.2	Very low	45	Very low	209 Å²	209	135.6 Å²	135.6	91%	0.909	78%	0.775	S	S	*	*			trans	-155.5	127.1	141.4	-100.3	168.5	-168.8	-176.2	0	108.8	I224	I224-K226 PolarHBondContact O-N 2.79Å
227	R	32.7	Very low	43	Very low	252 Å²	252	130.8 Å²	130.8	95%	0.951	76%	0.759	S	S	*	*			trans	-73.1	125.2	171.3	-68.8	173.7	168.6	-170.8	-4.1	109
228	A	37.4	Very low	41.2	Very low	105 Å²	105	133.2 Å²	133.2	87%	0.868	76%	0.758	S	S	*	*			trans	178.5	144.5	142.4	0	0	0	0	0	110.1
229	A	30.9	Very low	40.5	Very low	94 Å²	94	133.6 Å²	133.6	78%	0.777	77%	0.771	S	S	*	*			trans	-83.6	171.4	-167.7	0	0	0	0	0	114.7
230	S	31	Very low	38.6	Very low	111 Å²	111	131.9 Å²	131.9	78%	0.776	78%	0.777	S	S	*	*			trans	91.4	112.1	153.1	70.2	0	0	0	0	120.6
231	S	32.8	Very low	37.4	Very low	106 Å²	106	131 Å²	131	74%	0.741	79%	0.793	S	S	*	*				78	109.3	126.9	64.6	0	0	0	0	121.6
232	S	33.1	Very low	36.2	Very low	112 Å²	112	134 Å²	134	78%	0.783	80%	0.804	S	S	*	*				54.6	112.6	115.2	-178.9	0	0	0	0	118.4
233	S	36.3	Very low	35.3	Very low	121 Å²	121	131.2 Å²	131.2	85%	0.846	81%	0.808	S	S	*	*				178.2	151.9	108.6	42.2	0	0	0	0	113.2
234	R	28.6	Very low	35.2	Very low	202 Å²	202	129.2 Å²	129.2	76%	0.762	80%	0.804	S	S	*	*			trans	-108.3	149.6	-175.7	171.2	-169.7	-177.1	-166.2	5.3	109.3
235	P	35.2	Very low	34.9	Very low	124 Å²	124	128.5 Å²	128.5	81%	0.805	81%	0.806	S	S	*	*			trans	-140.4	135.5	130.7	30.3	-13.8	0	0	0	110.7
236	K	29.8	Very low	35.1	Very low	153 Å²	153	130.7 Å²	130.7	67%	0.665	81%	0.807	S	S	*	*			cis	76.8	95.8	45.1	-135.8	-162.4	176.2	179.5	0	115.5
237	T	24.9	Very low	35.1	Very low	105 Å²	105	128.7 Å²	128.7	64%	0.644	81%	0.806	S	S	*	*			trans	45.8	138.8	136.6	62.8	0	0	0	0	122.8
238	T	34.4	Very low	35.3	Very low	131 Å²	131	124.1 Å²	124.1	80%	0.804	80%	0.799	S	S	*	*				159	175.8	120.8	48.9	0	0	0	0	111.7
239	P	44.3	Very low	35.6	Very low	130 Å²	130	124.3 Å²	124.3	84%	0.844	79%	0.792	S	S	*	*				-133.9	-179.6	-106.8	29	-1.2	0	0	0	115.3
240	G	33.8	Very low	35.8	Very low	84 Å²	84	125.3 Å²	125.3	87%	0.866	79%	0.79	S	S	*	*			trans	138.5	129.3	153.3	0	0	0	0	0	116.5
241	G	32	Very low	36	Very low	81 Å²	81	125.7 Å²	125.7	84%	0.835	79%	0.79	S	S	*	*			trans	138.7	101.2	156.5	0	0	0	0	0	116.4
242	D	33.9	Very low	36.2	Very low	180 Å²	180	125.5 Å²	125.5	96%	0.963	79%	0.786	S	S	*	*			trans	-62.8	145.1	178.6	-72.5	-63.2	0	0	0	116.5
243	G	40.9	Very low	36.3	Very low	74 Å²	74	124 Å²	124	76%	0.763	79%	0.788	S	S	*	*			trans	175.2	137.6	162.7	0	0	0	0	0	113.7
244	P	39.5	Very low	36.3	Very low	119 Å²	119	126 Å²	126	77%	0.773	78%	0.784	S	S	*	*			trans	-103.5	141.5	-157.6	37.4	-29.2	0	0	0	116.5
245	V	42.8	Very low	36.5	Very low	134 Å²	134	120.9 Å²	120.9	81%	0.812	78%	0.779	S	S	*	*			trans	43.6	134.5	157.9	-98.1	0	0	0	0	120.2
246	P	42.7	Very low	36.6	Very low	117 Å²	117	123.6 Å²	123.6	76%	0.76	79%	0.786	S	S	*	*				-140.5	135.6	53.6	33.7	-13.2	0	0	0	115.9	L248	P246-L248 PolarHBondContact O-N 3Å
247	L	40.5	Very low	36.6	Very low	168 Å²	168	124.8 Å²	124.8	88%	0.88	79%	0.791	S	S	*	*			trans	-82.4	103.1	162.6	-73.1	167.7	0	0	0	108.3
248	L	36.6	Very low	37	Very low	156 Å²	156	127 Å²	127	82%	0.817	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-62.2	131.6	164	-76.6	162.7	0	0	0	108.6	P246	P246-L248 PolarHBondContact O-N 3Å
249	P	42.5	Very low	37.2	Very low	109 Å²	109	132.6 Å²	132.6	71%	0.708	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-63.7	148.5	177.9	26.2	-33.1	0	0	0	110.9
250	P	36.4	Very low	36.9	Very low	115 Å²	115	133.3 Å²	133.3	75%	0.747	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-63.3	150.4	-180	26.6	-34.1	0	0	0	111.7
251	P	35	Very low	36.9	Very low	119 Å²	119	138.9 Å²	138.9	77%	0.773	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-64.4	152.8	-179	25.7	-32.7	0	0	0	112	G253	P251-G253 PolarHBondContact O-N 3.42Å
252	P	37.4	Very low	37	Very low	101 Å²	101	143.4 Å²	143.4	66%	0.656	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-58.5	124.3	-172.8	-20.4	30.9	0	0	0	112.4	H254	P252-H254 PolarHBondContact O-CD2 3.46Å; P252-H254 PolarHBondContact O-N 2.7Å
253	G	34.8	Very low	37.1	Very low	80 Å²	80	144.3 Å²	144.3	83%	0.825	80%	0.795	S	S	*	*			trans	-68.1	92.7	170.7	0	0	0	0	0	110.8	P251 S255	P251-G253 PolarHBondContact O-N 3.42Å; G253-S255 PolarHBondContact O-N 3.02Å; G253-S255 VanDerWaalsContact O-N 3.12Å
254	H	35.9	Very low	37	Very low	165 Å²	165	147.3 Å²	147.3	76%	0.764	80%	0.799	S	S	*	*			trans	-76.9	99.3	165.5	-65.6	-72.7	0	0	0	109	P252 L256	P252-H254 PolarHBondContact O-CD2 3.46Å; P252-H254 PolarHBondContact O-N 2.7Å; H254-L256 PolarHBondContact O-N 3.29Å
255	S	34	Very low	36.8	Very low	94 Å²	94	144.5 Å²	144.5	66%	0.657	79%	0.792	S	S	*	*			trans	-54.1	112.3	172.1	-166.8	0	0	0	0	110.6	G253 K257	G253-S255 PolarHBondContact O-N 3.02Å; G253-S255 VanDerWaalsContact O-N 3.12Å; S255-K257 PolarHBondContact O-N 3.25Å
256	L	36.9	Very low	36.6	Very low	181 Å²	181	144.1 Å²	144.1	95%	0.948	79%	0.789	S	S	*	*			trans	-73.5	72.5	169.1	-73.8	160.4	0	0	0	109.4	H254	H254-L256 PolarHBondContact O-N 3.29Å
257	K	30	Very low	36.2	Very low	178 Å²	178	146.5 Å²	146.5	77%	0.774	79%	0.792	S	S	*	*			trans	-106.9	127.8	163.5	-78.3	-177.6	177.3	179.7	0	108.7	S255	S255-K257 PolarHBondContact O-N 3.25Å
258	N	32.2	Very low	36.2	Very low	151 Å²	151	144.4 Å²	144.4	81%	0.807	79%	0.789	S	S	*	*			trans	86.2	66.4	-179.3	-63.8	-1.5	0	0	0	117.1	I260	N258-I260 VanDerWaalsContact C-N 3.26Å; N258-I260 PolarHBondContact O-N 2.8Å
259	R	39.2	Very low	36.6	Very low	248 Å²	248	142.8 Å²	142.8	94%	0.936	79%	0.785	S	S	*	*			trans	-67.2	86.8	150.5	-164.5	-179.5	-144.5	178.4	6.8	108.9	K261	R259-K261 PolarHBondContact O-N 3.46Å
260	I	38.9	Very low	36.7	Very low	145 Å²	145	147.5 Å²	147.5	74%	0.744	80%	0.795	S	S	*	*			trans	-59.4	128.8	160.8	-67.1	173.5	0	0	0	106.5	N258 Q262	N258-I260 VanDerWaalsContact C-N 3.26Å; N258-I260 PolarHBondContact O-N 2.8Å; I260-Q262 PolarHBondContact O-N 3.12Å
261	K	32.9	Very low	37.4	Very low	201 Å²	201	145.9 Å²	145.9	87%	0.874	79%	0.791	S	S	*	*			trans	-62.4	79.5	177.6	-70.8	174.5	177	174	0	109.7	R259 K263	R259-K261 PolarHBondContact O-N 3.46Å; K261-K263 PolarHBondContact O-N 3.42Å
262	Q	34.7	Very low	38.4	Very low	176 Å²	176	142.9 Å²	142.9	82%	0.822	78%	0.781	S	S	*	*			trans	-76.7	105.6	171	-146.3	168	-12.5	0	0	106.4	I260 V264	I260-Q262 PolarHBondContact O-N 3.12Å; Q262-V264 PolarHBondContact O-N 2.83Å; Q262-V264 VanDerWaalsContact O-N 3.11Å
263	K	34.9	Very low	39.4	Very low	199 Å²	199	140.2 Å²	140.2	87%	0.865	76%	0.764	S	S	*	*			trans	-44.4	120.8	167.5	-77.3	176.2	174.9	176.7	0	107	K261 G265	K261-K263 PolarHBondContact O-N 3.42Å; K263-G265 VanDerWaalsContact C-N 3.25Å; K263-G265 PolarHBondContact O-N 2.88Å
264	V	39.1	Very low	41.1	Very low	137 Å²	137	138.5 Å²	138.5	83%	0.83	74%	0.74	S	S	*	*			trans	-59.6	96.5	172.6	-179.5	0	0	0	0	106.1	Q262 V266	Q262-V264 PolarHBondContact O-N 2.83Å; Q262-V264 VanDerWaalsContact O-N 3.11Å; V264-V266 PolarHBondContact O-N 2.81Å; V264-V266 VanDerWaalsContact O-N 3.1Å
265	G	35.7	Very low	43.1	Very low	61 Å²	61	135.7 Å²	135.7	63%	0.629	74%	0.739	S	S	*	*			trans	-64.8	108.1	167.6	0	0	0	0	0	105.9	K263 M267	K263-G265 VanDerWaalsContact C-N 3.25Å; K263-G265 PolarHBondContact O-N 2.88Å; G265-M267 PolarHBondContact O-N 2.79Å
266	V	38.3	Very low	45.7	Very low	126 Å²	126	134.8 Å²	134.8	76%	0.764	73%	0.726	S	S	*	*			trans	-52.1	114	162.5	176.1	0	0	0	0	105.5	V264	V264-V266 PolarHBondContact O-N 2.81Å; V264-V266 VanDerWaalsContact O-N 3.1Å
267	M	33.6	Very low	48.3	Very low	166 Å²	166	126.2 Å²	126.2	82%	0.818	68%	0.681	S	S	*	*			trans	-55.2	128.7	171.5	-64.2	-171.2	94.1	0	0	106.6	G265 T269	G265-M267 PolarHBondContact O-N 2.79Å; M267-T269 PolarHBondContact O-N 3.09Å
268	P	40.9	Very low	51	Low	124 Å²	124	119.8 Å²	119.8	81%	0.805	66%	0.655	S	S	*	*			trans	-63.4	107	-179.1	24.7	-31.2	0	0	0	107.5	K270	P268-K270 PolarHBondContact O-N 3Å; P268-K270 VanDerWaalsContact O-N 3.13Å
269	T	44.1	Very low	53.7	Low	122 Å²	122	118.2 Å²	118.2	75%	0.748	65%	0.646	S	S	*	*			trans	-51.6	121.6	161.8	52.3	0	0	0	0	105.7	M267 A271	M267-T269 PolarHBondContact O-N 3.09Å; T269-A271 PolarHBondContact O-N 3.07Å
270	K	45.4	Very low	56.2	Low	209 Å²	209	108.4 Å²	108.4	91%	0.909	61%	0.609	S	S	*	*			trans	-39.3	108	178.9	-76.9	-179	176	174.5	0	108.3	P268 G272	P268-K270 PolarHBondContact O-N 3Å; P268-K270 VanDerWaalsContact O-N 3.13Å; K270-G272 PolarHBondContact O-N 3.25Å; K270-G272 VanDerWaalsContact O-N 3.17Å
271	A	51.5	Low	58.8	Low	81 Å²	81	101.5 Å²	101.5	67%	0.669	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-57.3	127.2	-174.8	0	0	0	0	0	107	T269	T269-A271 PolarHBondContact O-N 3.07Å
272	G	55.5	Low	61.5	Low	55 Å²	55	96.3 Å²	96.3	57%	0.567	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-54	163.6	167.8	0	0	0	0	0	110	K270 S274	K270-G272 PolarHBondContact O-N 3.25Å; K270-G272 VanDerWaalsContact O-N 3.17Å; G272-S274 PolarHBondContact O-N 2.94Å
273	P	59.4	Low	64	Low	46 Å²	46	95.1 Å²	95.1	30%	0.299	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-50.3	134.7	177.8	22.9	-33.5	0	0	0	109.8	L278 I305 L306	P273-L278 HydrophobicContact CB-CB 4.34Å; P273-I305 HydrophobicContact CG-CG2 4.43Å; P273-L306 HydrophobicContact CB-CD1 4.01Å; P273-L306 HydrophobicContact CB-CD2 3.97Å; P273-L306 HydrophobicContact CB-CG 3.98Å
274	S	68.8	Low	66.7	Low	44 Å²	44	85.8 Å²	85.8	31%	0.308	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-54.6	148.4	168.6	66.5	0	0	0	0	108.8	G272 L276 A277 L278 A333	G272-S274 PolarHBondContact O-N 2.94Å; S274-L276 PolarHBondContact O-N 3.26Å; S274-A277 PolarHBondContact O-N 2.88Å; S274-A277 WeakPolarHBondContact OG-CB 3.5Å; S274-A277 PolarHBondContact OG-N 3.13Å; S274-A277 VanDerWaalsContact OG-N 3.13Å; S274-L278 PolarHBondContact O-N 2.76Å; S274-L278 VanDerWaalsContact O-N 3.08Å; S274-A333 VanDerWaalsContact CB-O 3.24Å; S274-A333 WeakPolarHBondContact CB-O 3.42Å; S274-A333 PolarHBondContact N-O 2.99Å; S274-A333 PolarHBondContact OG-O 3.26Å
275	S	79.5	Confident	68.8	Low	106 Å²	106	80 Å²	80	74%	0.741	47%	0.467	S	S	*	.	H	α-helix	trans	-53.7	-30.8	178.4	56.6	0	0	0	0	111.8	L279	S275-L279 WeakPolarHBondContact O-CB 3.35Å; S275-L279 PolarHBondContact O-N 2.9Å; S275-L279 VanDerWaalsContact O-N 3.13Å
276	L	88.6	Confident	71	Confident	75 Å²	75	80.7 Å²	80.7	39%	0.393	46%	0.458	S	S	.	.	H	α-helix	trans	-69.5	-50	174.9	-177.1	64.7	0	0	0	113.3	S274 L278 L279 R280 F337	S274-L276 PolarHBondContact O-N 3.26Å; L276-L278 VanDerWaalsContact C-N 3.3Å; L276-L278 PolarHBondContact O-N 2.97Å; L276-L279 PolarHBondContact O-N 3.38Å; L276-R280 WeakPolarHBondContact O-CB 3.42Å; L276-R280 PolarHBondContact O-N 3.22Å; L276-F337 HydrophobicContact CD2-CD2 4.21Å; L276-F337 HydrophobicContact CD2-CE2 3.33Å; L276-F337 HydrophobicContact CD2-CZ 3.93Å
277	A	90.2	Very high	73.1	Confident	0 Å²	0	80.3 Å²	80.3	0%	0	44%	0.443	C	S	.	.	H	α-helix	trans	-59.3	-44.6	179.1	0	0	0	0	0	111.2	S274 L279 R280 L281 L306 A333 Y335	S274-A277 PolarHBondContact O-N 2.88Å; S274-A277 WeakPolarHBondContact OG-CB 3.5Å; S274-A277 PolarHBondContact OG-N 3.13Å; S274-A277 VanDerWaalsContact OG-N 3.13Å; A277-L279 PolarHBondContact O-N 3.35Å; A277-R280 PolarHBondContact O-N 3.5Å; A277-L281 WeakPolarHBondContact O-CB 3.47Å; A277-L281 WeakPolarHBondContact O-CG 3.32Å; A277-L281 PolarHBondContact O-N 2.87Å; A277-L306 HydrophobicContact CB-CD2 4.27Å; A277-A333 WeakPolarHBondContact CB-O 3.47Å; A277-Y335 WeakPolarHBondContact CA-O 3.23Å; A277-Y335 VanDerWaalsContact CB-O 3.3Å; A277-Y335 WeakPolarHBondContact CB-O 3.42Å; A277-Y335 PolarHBondContact N-O 2.95Å
278	L	87.3	Confident	75.5	Confident	43 Å²	43	73.1 Å²	73.1	23%	0.225	41%	0.408	C	S	.	.	H	α-helix	trans	-57.1	-48.1	174.9	-179.4	67.4	0	0	0	111.5	P273 S274 L276 R282 I305	P273-L278 HydrophobicContact CB-CB 4.34Å; S274-L278 PolarHBondContact O-N 2.76Å; S274-L278 VanDerWaalsContact O-N 3.08Å; L276-L278 VanDerWaalsContact C-N 3.3Å; L276-L278 PolarHBondContact O-N 2.97Å; L278-R282 WeakPolarHBondContact O-CB 3.46Å; L278-R282 VanDerWaalsContact O-CG 3.24Å; L278-R282 WeakPolarHBondContact O-CG 3.34Å; L278-R282 PolarHBondContact O-N 3.21Å; L278-R282 VanDerWaalsContact O-N 3.09Å; L278-I305 HydrophobicContact CD1-CB 4.38Å; L278-I305 HydrophobicContact CD1-CD1 4Å; L278-I305 HydrophobicContact CD1-CG2 3.67Å
279	L	88.3	Confident	77.2	Confident	118 Å²	118	73 Å²	73	62%	0.618	40%	0.398	S	S	*	.	H	α-helix	trans	-65.7	-44.4	-179.8	-173.8	66.4	0	0	0	111.9	S275 L276 A277 R282 K283	S275-L279 WeakPolarHBondContact O-CB 3.35Å; S275-L279 PolarHBondContact O-N 2.9Å; S275-L279 VanDerWaalsContact O-N 3.13Å; L276-L279 PolarHBondContact O-N 3.38Å; A277-L279 PolarHBondContact O-N 3.35Å; L279-R282 PolarHBondContact O-N 3.22Å; L279-K283 PolarHBondContact O-N 2.99Å; L279-K283 VanDerWaalsContact O-N 3.09Å
280	R	93.3	Very high	78.6	Confident	43 Å²	43	75.8 Å²	75.8	16%	0.162	40%	0.395	C	S	.	.	H	α-helix	trans	-62.1	-47.4	179.4	178.8	74.6	-169.7	96.3	8.8	111.7	L276 A277 K283 D284 Y335 P336 W373	L276-R280 WeakPolarHBondContact O-CB 3.42Å; L276-R280 PolarHBondContact O-N 3.22Å; A277-R280 PolarHBondContact O-N 3.5Å; R280-K283 WeakPolarHBondContact O-CB 3.48Å; R280-K283 PolarHBondContact O-N 3.27Å; R280-D284 IonicContact CZ-OD1 3.44Å; R280-D284 IonicContact CZ-OD2 3.53Å; R280-D284 IonicContact NH1-OD1 2.74Å; R280-D284 PolarHBondContact NH1-OD1 3.37Å; R280-D284 IonicContact NH1-OD2 2.85Å; R280-D284 PolarHBondContact NH1-OD2 2.85Å; R280-D284 IonicContact NH2-OD1 2.67Å; R280-D284 PolarHBondContact NH2-OD1 2.74Å; R280-D284 IonicContact NH2-OD2 2.68Å; R280-D284 PolarHBondContact NH2-OD2 3.38Å; R280-D284 PolarHBondContact O-N 2.94Å; R280-Y335 HydrophobicContact CB-CD1 4.26Å; R280-Y335 HydrophobicContact CB-CE1 4.24Å; R280-Y335 HydrophobicContact CG-CD1 3.85Å; R280-Y335 HydrophobicContact CG-CE1 3.41Å; R280-Y335 VanDerWaalsContact CG-CE1 3.41Å; R280-P336 HydrophobicContact CG-CB 3.98Å; R280-P336 HydrophobicContact CG-CG 3.94Å; R280-W373 PolarHBondContact NH2-O 3.2Å
281	L	93.4	Very high	80.3	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-68.7	-36	-179.1	-71.9	167.6	0	0	0	112.3	A277 K283 D284 A285 I305 L306 W308 F331 Y335 V375	A277-L281 WeakPolarHBondContact O-CB 3.47Å; A277-L281 WeakPolarHBondContact O-CG 3.32Å; A277-L281 PolarHBondContact O-N 2.87Å; L281-K283 VanDerWaalsContact C-N 3.34Å; L281-K283 PolarHBondContact O-N 2.64Å; L281-D284 PolarHBondContact O-N 3.25Å; L281-A285 PolarHBondContact O-N 3.48Å; L281-I305 HydrophobicContact CB-CD1 3.87Å; L281-I305 HydrophobicContact CB-CG1 4Å; L281-I305 HydrophobicContact CD1-CG2 4.34Å; L281-L306 HydrophobicContact CD1-CD2 3.71Å; L281-W308 HydrophobicContact CB-CZ2 4.26Å; L281-W308 HydrophobicContact CD2-CZ2 4.24Å; L281-F331 HydrophobicContact CD1-CB 4.08Å; L281-F331 HydrophobicContact CD1-CD2 4.19Å; L281-F331 HydrophobicContact CD1-CG 4.13Å; L281-F331 HydrophobicContact CD2-CD1 3.93Å; L281-F331 HydrophobicContact CD2-CD2 3.69Å; L281-F331 HydrophobicContact CD2-CE1 4Å; L281-F331 HydrophobicContact CD2-CE2 3.79Å; L281-F331 HydrophobicContact CD2-CG 3.78Å; L281-F331 HydrophobicContact CD2-CZ 3.95Å; L281-Y335 HydrophobicContact CD1-CD1 4.22Å; L281-Y335 HydrophobicContact CD2-CD1 3.73Å; L281-Y335 HydrophobicContact CD2-CE1 3.44Å; L281-Y335 VanDerWaalsContact CD2-CE1 3.44Å; L281-Y335 HydrophobicContact CG-CD1 3.66Å; L281-Y335 HydrophobicContact CG-CE1 3.78Å; L281-V375 HydrophobicContact CD2-CG2 4.03Å
282	R	88.5	Confident	81.9	Confident	91 Å²	91	71 Å²	71	34%	0.343	37%	0.373	S	S	.	.	H	α-helix	trans	-60.2	-44.6	171.3	-76.4	173.4	176.6	171.9	-3	111.4	D117 L278 L279 D284 A285 V286 I305	D117-R282 IonicContact OD1-NH2 3.42Å; D117-R282 IonicContact OD2-NH2 3.58Å; D117-R282 PolarHBondContact OD2-NH2 3.44Å; L278-R282 WeakPolarHBondContact O-CB 3.46Å; L278-R282 VanDerWaalsContact O-CG 3.24Å; L278-R282 WeakPolarHBondContact O-CG 3.34Å; L278-R282 PolarHBondContact O-N 3.21Å; L278-R282 VanDerWaalsContact O-N 3.09Å; L279-R282 PolarHBondContact O-N 3.22Å; R282-D284 VanDerWaalsContact C-N 3.3Å; R282-D284 PolarHBondContact O-N 2.97Å; R282-A285 WeakPolarHBondContact O-CB 3.49Å; R282-A285 PolarHBondContact O-N 2.98Å; R282-V286 WeakPolarHBondContact O-CG2 3.24Å; R282-V286 PolarHBondContact O-N 2.98Å; R282-V286 VanDerWaalsContact O-N 3.14Å; R282-I305 HydrophobicContact CG-CD1 3.57Å
283	K	87.4	Confident	83.6	Confident	152 Å²	152	69 Å²	69	66%	0.661	35%	0.35	S	S	*	.	H	α-helix	trans	-62.1	-38.9	176.2	-172.5	176.4	-178.8	177.9	0	111.8	L279 R280 L281 V286 R287	L279-K283 PolarHBondContact O-N 2.99Å; L279-K283 VanDerWaalsContact O-N 3.09Å; R280-K283 WeakPolarHBondContact O-CB 3.48Å; R280-K283 PolarHBondContact O-N 3.27Å; L281-K283 VanDerWaalsContact C-N 3.34Å; L281-K283 PolarHBondContact O-N 2.64Å; K283-V286 PolarHBondContact O-N 3.01Å; K283-R287 WeakPolarHBondContact O-CB 3.36Å; K283-R287 PolarHBondContact O-N 2.87Å
284	D	91.5	Very high	85	Confident	2 Å²	2	71.1 Å²	71.1	1%	0.011	36%	0.364	C	S	.	.	H	α-helix	trans	-69.9	-34.1	175.6	-86.3	-5.4	0	0	0	113.4	R280 L281 R282 R287 L288 Y335 S374 V375	R280-D284 IonicContact CZ-OD1 3.44Å; R280-D284 IonicContact CZ-OD2 3.53Å; R280-D284 IonicContact NH1-OD1 2.74Å; R280-D284 PolarHBondContact NH1-OD1 3.37Å; R280-D284 IonicContact NH1-OD2 2.85Å; R280-D284 PolarHBondContact NH1-OD2 2.85Å; R280-D284 IonicContact NH2-OD1 2.67Å; R280-D284 PolarHBondContact NH2-OD1 2.74Å; R280-D284 IonicContact NH2-OD2 2.68Å; R280-D284 PolarHBondContact NH2-OD2 3.38Å; R280-D284 PolarHBondContact O-N 2.94Å; L281-D284 PolarHBondContact O-N 3.25Å; R282-D284 VanDerWaalsContact C-N 3.3Å; R282-D284 PolarHBondContact O-N 2.97Å; D284-R287 PolarHBondContact O-N 3.07Å; D284-L288 WeakPolarHBondContact O-CB 3.17Å; D284-L288 PolarHBondContact O-N 2.86Å; D284-Y335 PolarHBondContact OD2-OH 2.84Å; D284-S374 WeakPolarHBondContact OD1-CB 3.49Å; D284-S374 VanDerWaalsContact OD2-CA 3.31Å; D284-S374 WeakPolarHBondContact OD2-CA 3.34Å; D284-V375 HydrophobicContact CB-CB 4.12Å; D284-V375 HydrophobicContact CB-CG2 3.68Å; D284-V375 PolarHBondContact OD2-N 3.25Å
285	A	84.5	Confident	85.9	Confident	16 Å²	16	73.6 Å²	73.6	13%	0.132	37%	0.367	C	S	.	.	H	α-helix	trans	-60.6	-46.9	173.3	0	0	0	0	0	111.1	L281 R282 R287 L288 M289 W308	L281-A285 PolarHBondContact O-N 3.48Å; R282-A285 WeakPolarHBondContact O-CB 3.49Å; R282-A285 PolarHBondContact O-N 2.98Å; A285-R287 VanDerWaalsContact C-N 3.33Å; A285-R287 PolarHBondContact O-N 3.43Å; A285-L288 PolarHBondContact O-N 2.53Å; A285-M289 WeakPolarHBondContact O-CG 3.43Å; A285-M289 PolarHBondContact O-N 3.26Å; A285-W308 HydrophobicContact CB-CH2 3.58Å; A285-W308 HydrophobicContact CB-CZ2 4.19Å; A285-W308 HydrophobicContact CB-CZ3 4.46Å
286	V	81.6	Confident	86.4	Confident	75 Å²	75	69 Å²	69	46%	0.455	33%	0.334	S	S	.	.	H	α-helix	trans	-62.9	-41.4	175.8	176.6	0	0	0	0	111	R282 K283 M289 R290	R282-V286 WeakPolarHBondContact O-CG2 3.24Å; R282-V286 PolarHBondContact O-N 2.98Å; R282-V286 VanDerWaalsContact O-N 3.14Å; K283-V286 PolarHBondContact O-N 3.01Å; V286-M289 PolarHBondContact O-N 2.87Å; V286-R290 WeakPolarHBondContact O-CB 3.33Å; V286-R290 PolarHBondContact O-N 2.89Å
287	R	82	Confident	86.1	Confident	119 Å²	119	68.4 Å²	68.4	45%	0.449	33%	0.334	S	S	.	.	H	α-helix	trans	-62.5	-45.3	177.4	-174.1	177.6	-178.4	165.8	1.4	111.9	K283 D284 A285 M289 R290 D291	K283-R287 WeakPolarHBondContact O-CB 3.36Å; K283-R287 PolarHBondContact O-N 2.87Å; D284-R287 PolarHBondContact O-N 3.07Å; A285-R287 VanDerWaalsContact C-N 3.33Å; A285-R287 PolarHBondContact O-N 3.43Å; R287-M289 VanDerWaalsContact C-N 3.34Å; R287-R290 PolarHBondContact O-N 2.87Å; R287-D291 PolarHBondContact O-N 2.85Å
288	L	83.8	Confident	85.9	Confident	15 Å²	15	69.1 Å²	69.1	8%	0.079	34%	0.339	C	S	.	.	H	α-helix	trans	-68.2	-32.8	-179.2	-170.9	67.6	0	0	0	112.3	D284 A285 D291 P292 V293 A298 W308 L379	D284-L288 WeakPolarHBondContact O-CB 3.17Å; D284-L288 PolarHBondContact O-N 2.86Å; A285-L288 PolarHBondContact O-N 2.53Å; L288-D291 CarbonylContact O-C 3.59Å; L288-P292 VanDerWaalsContact O-CA 3.22Å; L288-P292 WeakPolarHBondContact O-CA 3.4Å; L288-V293 HydrophobicContact CD1-CB 4.49Å; L288-V293 HydrophobicContact CD1-CG2 3.7Å; L288-A298 HydrophobicContact CD2-CB 3.91Å; L288-W308 HydrophobicContact CD2-CZ3 4.19Å; L288-L379 HydrophobicContact CD1-CD1 4.28Å; L288-L379 HydrophobicContact CD2-CD1 3.97Å
289	M	76.3	Confident	85.7	Confident	120 Å²	120	68.2 Å²	68.2	59%	0.591	34%	0.336	S	S	*	.	H	α-helix	trans	-66.6	-41.1	171.7	-73	177.2	178.4	0	0	111.9	A285 V286 R287	A285-M289 WeakPolarHBondContact O-CG 3.43Å; A285-M289 PolarHBondContact O-N 3.26Å; V286-M289 PolarHBondContact O-N 2.87Å; R287-M289 VanDerWaalsContact C-N 3.34Å
290	R	74.5	Confident	85.4	Confident	181 Å²	181	64.2 Å²	64.2	68%	0.683	32%	0.317	S	S	*	.	H	α-helix	trans	-70.9	-38.8	178.8	-173.1	-176.9	71	-176.3	5.2	112.5	V286 R287	V286-R290 WeakPolarHBondContact O-CB 3.33Å; V286-R290 PolarHBondContact O-N 2.89Å; R287-R290 PolarHBondContact O-N 2.87Å
291	D	81.3	Confident	84.6	Confident	103 Å²	103	62.6 Å²	62.6	55%	0.551	31%	0.312	S	S	*	.	S	Bend	trans	-131.5	80.1	-174.8	-172.8	26.5	0	0	0	108.5	R287 L288	R287-D291 PolarHBondContact O-N 2.85Å; L288-D291 CarbonylContact O-C 3.59Å
292	P	84.2	Confident	83.3	Confident	86 Å²	86	64.8 Å²	64.8	56%	0.558	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-70.2	141	-177.1	28.5	-34.3	0	0	0	110.9	L288 P294	L288-P292 VanDerWaalsContact O-CA 3.22Å; L288-P292 WeakPolarHBondContact O-CA 3.4Å; P292-P294 WeakPolarHBondContact O-CD 3.4Å
293	V	90.7	Very high	82.2	Confident	14 Å²	14	64.3 Å²	64.3	9%	0.085	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-72.6	124.8	176	177.6	0	0	0	0	108.7	L288 Y295 V296 G376 L379	L288-V293 HydrophobicContact CD1-CB 4.49Å; L288-V293 HydrophobicContact CD1-CG2 3.7Å; V293-Y295 PolarHBondContact O-N 2.82Å; V293-V296 HydrophobicContact CB-CB 4.13Å; V293-V296 HydrophobicContact CG1-CB 3.94Å; V293-V296 HydrophobicContact CG1-CG2 3.98Å; V293-V296 PolarHBondContact O-N 3.06Å; V293-G376 WeakPolarHBondContact CG2-O 3.2Å; V293-L379 HydrophobicContact CG2-CB 4.36Å
294	P	89.4	Confident	81.7	Confident	91 Å²	91	59.7 Å²	59.7	59%	0.591	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	139.7	175.6	-26.1	34.9	0	0	0	111.2	P292 V296	P292-P294 WeakPolarHBondContact O-CD 3.4Å; P294-V296 PolarHBondContact O-N 3.29Å
295	Y	87.6	Confident	81.4	Confident	96 Å²	96	61 Å²	61	38%	0.376	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.2	3.4	-177.5	-52.9	-82.4	0	0	0	115.7	V293 V312 E313 P315	V293-Y295 PolarHBondContact O-N 2.82Å; Y295-V312 CarbonylContact O-C 3.55Å; Y295-V312 WeakPolarHBondContact O-CA 3.45Å; Y295-E313 WeakPolarHBondContact CB-O 3.34Å; Y295-E313 HydrophobicContact CD1-CB 4.38Å; Y295-E313 PolarHBondContact O-N 3.36Å; Y295-P315 HydrophobicContact CD1-CB 4.05Å; Y295-P315 HydrophobicContact CD1-CG 4.11Å; Y295-P315 HydrophobicContact CD2-CB 4.23Å; Y295-P315 HydrophobicContact CD2-CG 4.08Å; Y295-P315 HydrophobicContact CE1-CB 3.89Å; Y295-P315 HydrophobicContact CE1-CG 4.45Å; Y295-P315 HydrophobicContact CE2-CB 4.08Å; Y295-P315 HydrophobicContact CE2-CG 4.41Å; Y295-P315 HydrophobicContact CG-CB 4.22Å; Y295-P315 HydrophobicContact CG-CG 3.92Å
296	V	89.2	Confident	81.8	Confident	8 Å²	8	61.1 Å²	61.1	5%	0.048	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	121	-178.3	-169.6	0	0	0	0	111.7	V293 P294 I311 V312 L379 L383	V293-V296 HydrophobicContact CB-CB 4.13Å; V293-V296 HydrophobicContact CG1-CB 3.94Å; V293-V296 HydrophobicContact CG1-CG2 3.98Å; V293-V296 PolarHBondContact O-N 3.06Å; P294-V296 PolarHBondContact O-N 3.29Å; V296-I311 WeakPolarHBondContact CA-O 3.07Å; V296-V312 HydrophobicContact CG1-CG2 4.33Å; V296-V312 HydrophobicContact CG2-CG2 4.15Å; V296-L379 HydrophobicContact CG1-CB 4.06Å; V296-L379 HydrophobicContact CG1-CD1 4.18Å; V296-L379 HydrophobicContact CG1-CD2 3.95Å; V296-L379 HydrophobicContact CG1-CG 4.27Å; V296-L383 HydrophobicContact CG2-CB 4.21Å; V296-L383 HydrophobicContact CG2-CD2 4.1Å
297	T	83.1	Confident	82.1	Confident	64 Å²	64	59.2 Å²	59.2	39%	0.393	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	126.2	171.8	-62.1	0	0	0	0	109.3	Y310 I311	T297-Y310 CarbonylContact O-C 3.54Å; T297-Y310 WeakPolarHBondContact O-CA 3.39Å; T297-I311 PolarHBondContact N-O 2.9Å; T297-I311 PolarHBondContact O-N 3Å
298	A	86.5	Confident	82.5	Confident	14 Å²	14	53.6 Å²	53.6	12%	0.116	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	147.6	176.4	0	0	0	0	0	113.5	L288 H309 L379	L288-A298 HydrophobicContact CD2-CB 3.91Å; A298-H309 CarbonylContact C-O 3.59Å; A298-H309 WeakPolarHBondContact CA-O 3.41Å; A298-H309 WeakPolarHBondContact CB-O 3.28Å; A298-L379 HydrophobicContact CB-CD1 3.47Å; A298-L379 VanDerWaalsContact CB-CD1 3.47Å; A298-L379 HydrophobicContact CB-CD2 4.28Å
299	V	81.8	Confident	82.6	Confident	24 Å²	24	53.1 Å²	53.1	15%	0.145	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	146.3	177.8	-55.5	0	0	0	0	111.9	I176 L179 F180 W308 H309	I176-V299 HydrophobicContact CG2-CG2 3.79Å; L179-V299 HydrophobicContact CD1-CG1 4.18Å; F180-V299 HydrophobicContact CD2-CG2 3.78Å; F180-V299 HydrophobicContact CE2-CB 4.08Å; F180-V299 HydrophobicContact CE2-CG1 3.86Å; F180-V299 HydrophobicContact CE2-CG2 3.13Å; F180-V299 HydrophobicContact CZ-CG1 4.33Å; F180-V299 HydrophobicContact CZ-CG2 3.74Å; V299-W308 CarbonylContact O-C 3.55Å; V299-W308 VanDerWaalsContact O-CA 3.3Å; V299-W308 WeakPolarHBondContact O-CA 3.49Å; V299-H309 PolarHBondContact N-O 3.38Å; V299-H309 PolarHBondContact O-N 3.46Å
300	P	83.5	Confident	83.1	Confident	35 Å²	35	47.4 Å²	47.4	23%	0.227	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	150	169.2	28.2	-32.6	0	0	0	111.7	I305 W308	P300-I305 HydrophobicContact CB-CG1 4.14Å; P300-W308 HydrophobicContact CB-CD2 3.88Å; P300-W308 HydrophobicContact CB-CE3 4.44Å; P300-W308 HydrophobicContact CB-CG 4.21Å; P300-W308 HydrophobicContact CB-CZ2 4.01Å; P300-W308 HydrophobicContact CG-CH2 4.42Å; P300-W308 HydrophobicContact CG-CZ2 4.24Å
301	L	75.8	Confident	83.7	Confident	9 Å²	9	40.1 Å²	40.1	5%	0.047	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	132.1	171.2	-170.9	71.5	0	0	0	109.9	Y183 S303 N304 E307	Y183-L301 HydrophobicContact CE1-CD1 3.9Å; L301-S303 VanDerWaalsContact C-N 3.29Å; L301-S303 VanDerWaalsContact CD2-OG 3.31Å; L301-S303 WeakPolarHBondContact CD2-OG 3.47Å; L301-S303 PolarHBondContact O-N 2.85Å; L301-N304 WeakPolarHBondContact CB-O 3.48Å; L301-N304 HydrophobicContact CD2-CB 4.26Å; L301-N304 CarbonylContact O-C 3.56Å; L301-N304 PolarHBondContact O-N 3.22Å; L301-E307 HydrophobicContact CB-CB 4.29Å; L301-E307 WeakPolarHBondContact CB-O 3.38Å; L301-E307 HydrophobicContact CD2-CB 4.49Å; L301-E307 PolarHBondContact N-O 3.33Å
302	P	65.7	Low	84	Confident	46 Å²	46	35.3 Å²	35.3	30%	0.299	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-37.3	-177.6	-27.9	36.3	0	0	0	114.1	I176	I176-P302 HydrophobicContact CD1-CG 3.18Å
303	S	66.1	Low	84	Confident	81 Å²	81	35 Å²	35	57%	0.566	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80	-19	-179.9	58.7	0	0	0	0	113.1	L301	L301-S303 VanDerWaalsContact C-N 3.29Å; L301-S303 VanDerWaalsContact CD2-OG 3.31Å; L301-S303 WeakPolarHBondContact CD2-OG 3.47Å; L301-S303 PolarHBondContact O-N 2.85Å
304	N	77.4	Confident	83.7	Confident	55 Å²	55	34.6 Å²	34.6	29%	0.294	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	99.6	-175.7	-178	14.4	0	0	0	111.3	L301 L306 E307	L301-N304 WeakPolarHBondContact CB-O 3.48Å; L301-N304 HydrophobicContact CD2-CB 4.26Å; L301-N304 CarbonylContact O-C 3.56Å; L301-N304 PolarHBondContact O-N 3.22Å; N304-L306 PolarHBondContact O-N 2.97Å; N304-L306 VanDerWaalsContact O-N 3.08Å; N304-L306 VanDerWaalsContact OD1-CB 3.32Å; N304-L306 WeakPolarHBondContact OD1-CB 3.46Å; N304-L306 PolarHBondContact OD1-N 3.41Å; N304-E307 PolarHBondContact O-N 3.45Å
305	I	84.9	Confident	83.6	Confident	29 Å²	29	30.8 Å²	30.8	15%	0.149	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	-18.7	177.7	-159.7	171.1	0	0	0	113.5	P273 L278 L281 R282 P300 E307 W308	P273-I305 HydrophobicContact CG-CG2 4.43Å; L278-I305 HydrophobicContact CD1-CB 4.38Å; L278-I305 HydrophobicContact CD1-CD1 4Å; L278-I305 HydrophobicContact CD1-CG2 3.67Å; L281-I305 HydrophobicContact CB-CD1 3.87Å; L281-I305 HydrophobicContact CB-CG1 4Å; L281-I305 HydrophobicContact CD1-CG2 4.34Å; R282-I305 HydrophobicContact CG-CD1 3.57Å; P300-I305 HydrophobicContact CB-CG1 4.14Å; I305-E307 PolarHBondContact O-N 3.36Å; I305-W308 PolarHBondContact O-NE1 3.45Å
306	L	91.7	Very high	83.6	Confident	18 Å²	18	31 Å²	31	9%	0.094	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	-13.8	177.1	-61.5	177.4	0	0	0	112.1	P273 A277 L281 N304 V330 F331	P273-L306 HydrophobicContact CB-CD1 4.01Å; P273-L306 HydrophobicContact CB-CD2 3.97Å; P273-L306 HydrophobicContact CB-CG 3.98Å; A277-L306 HydrophobicContact CB-CD2 4.27Å; L281-L306 HydrophobicContact CD1-CD2 3.71Å; N304-L306 PolarHBondContact O-N 2.97Å; N304-L306 VanDerWaalsContact O-N 3.08Å; N304-L306 VanDerWaalsContact OD1-CB 3.32Å; N304-L306 WeakPolarHBondContact OD1-CB 3.46Å; N304-L306 PolarHBondContact OD1-N 3.41Å; L306-V330 CarbonylContact O-C 3.5Å; L306-V330 WeakPolarHBondContact O-CA 3.26Å; L306-F331 HydrophobicContact CB-CB 4.41Å; L306-F331 WeakPolarHBondContact CB-O 3.15Å; L306-F331 HydrophobicContact CD2-CB 4.07Å; L306-F331 WeakPolarHBondContact O-CD2 3.36Å; L306-F331 PolarHBondContact O-N 3.46Å
307	E	88.1	Confident	83.5	Confident	35 Å²	35	38.3 Å²	38.3	16%	0.164	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	124	176.2	-174.1	174.9	160.8	0	0	109.2	Y183 L301 N304 I305 H309 K328 L329	Y183-E307 PolarHBondContact OH-OE1 3.18Å; L301-E307 HydrophobicContact CB-CB 4.29Å; L301-E307 WeakPolarHBondContact CB-O 3.38Å; L301-E307 HydrophobicContact CD2-CB 4.49Å; L301-E307 PolarHBondContact N-O 3.33Å; N304-E307 PolarHBondContact O-N 3.45Å; I305-E307 PolarHBondContact O-N 3.36Å; E307-H309 IonicContact OE1-CE1 3.87Å; E307-H309 IonicContact OE1-NE2 3.7Å; E307-H309 PolarHBondContact OE1-NE2 3.41Å; E307-K328 HydrophobicContact CG-CD 4.46Å; E307-L329 WeakPolarHBondContact CA-O 3.31Å
308	W	90.9	Very high	83.8	Confident	1 Å²	1	36.6 Å²	36.6	0%	0.004	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	141.5	178.5	-71.2	53.6	0	0	0	110	L281 A285 L288 V299 P300 I305 K328 L329 F331 V375	L281-W308 HydrophobicContact CB-CZ2 4.26Å; L281-W308 HydrophobicContact CD2-CZ2 4.24Å; A285-W308 HydrophobicContact CB-CH2 3.58Å; A285-W308 HydrophobicContact CB-CZ2 4.19Å; A285-W308 HydrophobicContact CB-CZ3 4.46Å; L288-W308 HydrophobicContact CD2-CZ3 4.19Å; V299-W308 CarbonylContact O-C 3.55Å; V299-W308 VanDerWaalsContact O-CA 3.3Å; V299-W308 WeakPolarHBondContact O-CA 3.49Å; P300-W308 HydrophobicContact CB-CD2 3.88Å; P300-W308 HydrophobicContact CB-CE3 4.44Å; P300-W308 HydrophobicContact CB-CG 4.21Å; P300-W308 HydrophobicContact CB-CZ2 4.01Å; P300-W308 HydrophobicContact CG-CH2 4.42Å; P300-W308 HydrophobicContact CG-CZ2 4.24Å; I305-W308 PolarHBondContact O-NE1 3.45Å; W308-K328 CarbonylContact O-C 3.43Å; W308-K328 WeakPolarHBondContact O-CA 3.33Å; W308-K328 VanDerWaalsContact O-CB 3.22Å; W308-K328 WeakPolarHBondContact O-CB 3.46Å; W308-L329 HydrophobicContact CB-CB 4.27Å; W308-L329 PolarHBondContact N-O 3.17Å; W308-L329 PolarHBondContact O-N 3.31Å; W308-F331 HydrophobicContact CB-CE2 4.22Å; W308-F331 AromaticContact CD1-CD2 3.57Å; W308-F331 AromaticContact CD1-CE2 3.35Å; W308-F331 HydrophobicContact CD2-CE2 4.21Å; W308-F331 HydrophobicContact CG-CD2 4.32Å; W308-F331 AromaticContact CG-CE2 3.69Å; W308-F331 HydrophobicContact CG-CE2 3.69Å; W308-F331 AromaticContact NE1-CD2 3.85Å; W308-F331 AromaticContact NE1-CE2 3.67Å; W308-V375 HydrophobicContact CD2-CG1 4.46Å; W308-V375 HydrophobicContact CE3-CG1 3.93Å; W308-V375 HydrophobicContact CH2-CG1 4.43Å; W308-V375 HydrophobicContact CH2-CG2 4.25Å; W308-V375 HydrophobicContact CZ2-CG2 4.33Å; W308-V375 HydrophobicContact CZ3-CB 4.49Å; W308-V375 HydrophobicContact CZ3-CG1 3.91Å
309	H	85.2	Confident	83.8	Confident	5 Å²	5	39.9 Å²	39.9	2%	0.023	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	141.5	172.3	-74.4	-76	0	0	0	110.5	F180 Y183 A298 V299 E307 H326 G327 F345	F180-H309 HydrophobicContact CD1-CB 3.8Å; F180-H309 HydrophobicContact CE1-CB 3.77Å; F180-H309 HydrophobicContact CG-CB 4.21Å; F180-H309 HydrophobicContact CZ-CB 4.23Å; F180-H309 WeakPolarHBondContact CZ-O 3.24Å; Y183-H309 AromaticContact CD1-CD2 3.98Å; Y183-H309 AromaticContact CD1-NE2 3.91Å; Y183-H309 AromaticContact CD2-CE1 3.22Å; Y183-H309 WeakPolarHBondContact CD2-CE1 3.3Å; Y183-H309 AromaticContact CD2-ND1 3.65Å; Y183-H309 AromaticContact CD2-NE2 3.79Å; Y183-H309 AromaticContact CE1-CD2 3.65Å; Y183-H309 AromaticContact CE1-CE1 3.81Å; Y183-H309 AromaticContact CE1-NE2 3.34Å; Y183-H309 VanDerWaalsContact CE1-NE2 3.34Å; Y183-H309 WeakPolarHBondContact CE1-NE2 3.16Å; Y183-H309 AromaticContact CE2-CE1 2.92Å; Y183-H309 WeakPolarHBondContact CE2-CE1 3.5Å; Y183-H309 AromaticContact CE2-ND1 3.82Å; Y183-H309 AromaticContact CE2-NE2 3.18Å; Y183-H309 WeakPolarHBondContact CE2-NE2 3.43Å; Y183-H309 AromaticContact CG-CE1 3.76Å; Y183-H309 AromaticContact CG-ND1 3.85Å; Y183-H309 AromaticContact CZ-CD2 3.72Å; Y183-H309 AromaticContact CZ-CE1 3.24Å; Y183-H309 AromaticContact CZ-NE2 2.89Å; Y183-H309 PolarHBondContact OH-NE2 3.48Å; A298-H309 CarbonylContact C-O 3.59Å; A298-H309 WeakPolarHBondContact CA-O 3.41Å; A298-H309 WeakPolarHBondContact CB-O 3.28Å; V299-H309 PolarHBondContact N-O 3.38Å; V299-H309 PolarHBondContact O-N 3.46Å; E307-H309 IonicContact OE1-CE1 3.87Å; E307-H309 IonicContact OE1-NE2 3.7Å; E307-H309 PolarHBondContact OE1-NE2 3.41Å; H309-H326 AromaticContact CG-NE2 3.6Å; H309-H326 AromaticContact ND1-CE1 3.46Å; H309-H326 PolarHBondContact ND1-CE1 3.27Å; H309-H326 AromaticContact ND1-NE2 3Å; H309-H326 PolarHBondContact ND1-NE2 2.92Å; H309-G327 WeakPolarHBondContact CA-O 3.36Å; H309-G327 PolarHBondContact ND1-O 2.92Å; H309-F345 AromaticContact CE1-CE2 3.83Å; H309-F345 AromaticContact ND1-CE2 3.98Å
310	Y	88.2	Confident	84	Confident	1 Å²	1	39.4 Å²	39.4	0%	0.004	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	150.7	176.1	63.6	-100.4	0	0	0	111.5	T297 V312 H326 G327 K328 L329 Y343 M344 L379 L382	T297-Y310 CarbonylContact O-C 3.54Å; T297-Y310 WeakPolarHBondContact O-CA 3.39Å; Y310-V312 HydrophobicContact CD2-CG2 4.01Å; Y310-V312 HydrophobicContact CE2-CG2 4.18Å; Y310-H326 WeakPolarHBondContact O-CA 3.22Å; Y310-H326 PolarHBondContact O-CD2 3.27Å; Y310-H326 VanDerWaalsContact O-CD2 3.24Å; Y310-G327 PolarHBondContact N-O 3.01Å; Y310-G327 VanDerWaalsContact N-O 3.09Å; Y310-G327 PolarHBondContact O-N 3.48Å; Y310-K328 VanDerWaalsContact CE1-C 3.46Å; Y310-K328 VanDerWaalsContact CE1-N 3.34Å; Y310-L329 HydrophobicContact CD1-CD2 4.29Å; Y310-L329 HydrophobicContact CD1-CG 3.92Å; Y310-L329 HydrophobicContact CE1-CD2 3.87Å; Y310-L329 HydrophobicContact CE1-CG 3.96Å; Y310-Y343 PolarHBondContact OH-O 2.89Å; Y310-M344 HydrophobicContact CE2-CE 4.15Å; Y310-M344 HydrophobicContact CE2-SD 4.29Å; Y310-L379 HydrophobicContact CD1-CD2 3.89Å; Y310-L379 HydrophobicContact CD2-CD2 4.5Å; Y310-L379 HydrophobicContact CG-CD2 3.79Å; Y310-L382 HydrophobicContact CD2-CD2 4.09Å; Y310-L382 HydrophobicContact CE1-CD2 3.91Å; Y310-L382 HydrophobicContact CE2-CD2 3.37Å; Y310-L382 VanDerWaalsContact OH-CD2 3.26Å; Y310-L382 WeakPolarHBondContact OH-CD2 3.26Å
311	I	85.6	Confident	84	Confident	28 Å²	28	42.4 Å²	42.4	14%	0.144	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126.2	169.9	-71	162.2	0	0	0	107.3	L179 F180 V296 T297 F324 Y325 H326	L179-I311 WeakPolarHBondContact O-CD1 3.18Å; F180-I311 HydrophobicContact CD1-CD1 3.56Å; F180-I311 HydrophobicContact CD1-CG1 3.75Å; F180-I311 HydrophobicContact CE1-CB 4.4Å; F180-I311 HydrophobicContact CE1-CD1 3.7Å; F180-I311 HydrophobicContact CE1-CG1 3.64Å; F180-I311 HydrophobicContact CG-CD1 4.31Å; V296-I311 WeakPolarHBondContact CA-O 3.07Å; T297-I311 PolarHBondContact N-O 2.9Å; T297-I311 PolarHBondContact O-N 3Å; I311-F324 HydrophobicContact CG2-CB 4.33Å; I311-F324 HydrophobicContact CG2-CD1 4.03Å; I311-Y325 CarbonylContact C-O 3.52Å; I311-Y325 VanDerWaalsContact CA-O 3.31Å; I311-Y325 WeakPolarHBondContact CA-O 3.22Å; I311-H326 HydrophobicContact CG1-CB 4.3Å
312	V	88.6	Confident	84	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.006	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	122.6	169.3	179.7	0	0	0	0	108.1	Y295 V296 Y310 Y325 L383 M386	Y295-V312 CarbonylContact O-C 3.55Å; Y295-V312 WeakPolarHBondContact O-CA 3.45Å; V296-V312 HydrophobicContact CG1-CG2 4.33Å; V296-V312 HydrophobicContact CG2-CG2 4.15Å; Y310-V312 HydrophobicContact CD2-CG2 4.01Å; Y310-V312 HydrophobicContact CE2-CG2 4.18Å; V312-Y325 PolarHBondContact N-O 2.95Å; V312-Y325 WeakPolarHBondContact O-CD2 3.26Å; V312-Y325 PolarHBondContact O-N 3.3Å; V312-L383 HydrophobicContact CG1-CD1 3.67Å; V312-M386 HydrophobicContact CB-SD 4.49Å; V312-M386 HydrophobicContact CG1-SD 4.08Å
313	E	83	Confident	84.5	Confident	79 Å²	79	41.6 Å²	41.6	37%	0.369	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	130.9	165.7	-52.1	-168.5	173.2	0	0	107.7	Y295 P315 G323 F324	Y295-E313 WeakPolarHBondContact CB-O 3.34Å; Y295-E313 HydrophobicContact CD1-CB 4.38Å; Y295-E313 PolarHBondContact O-N 3.36Å; E313-P315 WeakPolarHBondContact O-CD 3.45Å; E313-G323 WeakPolarHBondContact CA-O 2.92Å; E313-F324 HydrophobicContact CB-CE1 4.36Å; E313-F324 HydrophobicContact CG-CD1 3.95Å; E313-F324 HydrophobicContact CG-CE1 3.6Å; E313-F324 HydrophobicContact CG-CZ 4.45Å
314	G	84.4	Confident	85.2	Confident	6 Å²	6	39 Å²	39	6%	0.062	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-65.1	118.9	175.6	0	0	0	0	0	110.8	F320 G323	G314-F320 VanDerWaalsContact CA-O 3.31Å; G314-F320 WeakPolarHBondContact CA-O 3.35Å; G314-G323 PolarHBondContact N-O 3.46Å
315	P	88.1	Confident	85.4	Confident	12 Å²	12	36.5 Å²	36.5	8%	0.078	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-62.4	156	179.7	-21	33.4	0	0	0	112.2	Y295 E313 T318 L383 L387	Y295-P315 HydrophobicContact CD1-CB 4.05Å; Y295-P315 HydrophobicContact CD1-CG 4.11Å; Y295-P315 HydrophobicContact CD2-CB 4.23Å; Y295-P315 HydrophobicContact CD2-CG 4.08Å; Y295-P315 HydrophobicContact CE1-CB 3.89Å; Y295-P315 HydrophobicContact CE1-CG 4.45Å; Y295-P315 HydrophobicContact CE2-CB 4.08Å; Y295-P315 HydrophobicContact CE2-CG 4.41Å; Y295-P315 HydrophobicContact CG-CB 4.22Å; Y295-P315 HydrophobicContact CG-CG 3.92Å; E313-P315 WeakPolarHBondContact O-CD 3.45Å; P315-T318 HydrophobicContact CB-CG2 3.92Å; P315-T318 HydrophobicContact CG-CG2 4.38Å; P315-T318 WeakPolarHBondContact O-CB 3.37Å; P315-T318 PolarHBondContact O-N 3.31Å; P315-T318 PolarHBondContact O-OG1 3.26Å; P315-L383 HydrophobicContact CG-CD1 3.99Å; P315-L387 HydrophobicContact CG-CD1 4.41Å; P315-L387 HydrophobicContact CG-CD2 4.49Å
316	N	87.6	Confident	85.3	Confident	99 Å²	99	35.5 Å²	35.5	53%	0.529	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	150.5	174.1	-55.1	-15.8	0	0	0	110.2	T318	N316-T318 PolarHBondContact O-N 3.22Å
317	D	87.2	Confident	85.1	Confident	162 Å²	162	34.7 Å²	34.7	87%	0.866	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.2	23.7	-179.6	-52.8	-55.8	0	0	0	113.6	E321	D317-E321 PolarHBondContact N-OE2 3.06Å
318	T	89	Confident	85.2	Confident	28 Å²	28	35.1 Å²	35.1	17%	0.172	19%	0.194	C	C	.	.	S	Bend	trans	-120.4	156.9	174.3	76.3	0	0	0	0	110.9	P315 N316 F320 E321 L387	P315-T318 HydrophobicContact CB-CG2 3.92Å; P315-T318 HydrophobicContact CG-CG2 4.38Å; P315-T318 WeakPolarHBondContact O-CB 3.37Å; P315-T318 PolarHBondContact O-N 3.31Å; P315-T318 PolarHBondContact O-OG1 3.26Å; N316-T318 PolarHBondContact O-N 3.22Å; T318-F320 PolarHBondContact O-N 2.8Å; T318-F320 PolarHBondContact OG1-N 3.03Å; T318-E321 WeakPolarHBondContact O-CB 3.39Å; T318-E321 PolarHBondContact O-N 3.44Å; T318-L387 HydrophobicContact CG2-CD1 4.32Å; T318-L387 HydrophobicContact CG2-CD2 3.64Å
319	P	86.1	Confident	85.5	Confident	83 Å²	83	35.1 Å²	35.1	54%	0.539	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-11	173.9	-23	34.1	0	0	0	114.2	V403	P319-V403 HydrophobicContact CB-CG1 4.39Å; P319-V403 VanDerWaalsContact O-CG1 3.31Å; P319-V403 WeakPolarHBondContact O-CG1 3.48Å
320	F	86.4	Confident	85.9	Confident	14 Å²	14	37 Å²	37	6%	0.061	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-3.1	-177.9	-55	-69.7	0	0	0	112.6	G314 T318 G322 G323 Y325 R350 M386 L387 V403 L407	G314-F320 VanDerWaalsContact CA-O 3.31Å; G314-F320 WeakPolarHBondContact CA-O 3.35Å; T318-F320 PolarHBondContact O-N 2.8Å; T318-F320 PolarHBondContact OG1-N 3.03Å; F320-G322 PolarHBondContact O-N 2.96Å; F320-G323 WeakPolarHBondContact O-CA 3.4Å; F320-G323 PolarHBondContact O-N 2.99Å; F320-Y325 HydrophobicContact CB-CE2 3.81Å; F320-Y325 HydrophobicContact CD1-CE2 4.27Å; F320-Y325 AromaticContact CD1-CZ 3.92Å; F320-Y325 WeakPolarHBondContact CD1-OH 3.48Å; F320-Y325 HydrophobicContact CG-CE2 4.39Å; F320-R350 HydrophobicContact CE1-CB 4.13Å; F320-R350 HydrophobicContact CZ-CB 3.93Å; F320-R350 HydrophobicContact CZ-CG 4.39Å; F320-M386 HydrophobicContact CB-CE 4.32Å; F320-M386 HydrophobicContact CD1-CE 3.54Å; F320-M386 HydrophobicContact CD2-CE 4.21Å; F320-M386 HydrophobicContact CD2-CG 4.46Å; F320-M386 HydrophobicContact CE1-CE 3.82Å; F320-M386 HydrophobicContact CE2-CE 4.45Å; F320-M386 HydrophobicContact CE2-CG 4.16Å; F320-M386 WeakPolarHBondContact CE2-O 3.42Å; F320-M386 HydrophobicContact CG-CE 3.75Å; F320-M386 HydrophobicContact CZ-CE 4.27Å; F320-M386 HydrophobicContact CZ-CG 4.29Å; F320-M386 WeakPolarHBondContact CZ-O 3.49Å; F320-L387 HydrophobicContact CD2-CD2 3.86Å; F320-L387 HydrophobicContact CE2-CD2 4.25Å; F320-V403 HydrophobicContact CD1-CG1 4.2Å; F320-V403 HydrophobicContact CE1-CG1 4.25Å; F320-L407 WeakPolarHBondContact O-CD2 3.46Å
321	E	84.2	Confident	86.3	Confident	98 Å²	98	37.1 Å²	37.1	46%	0.458	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.4	131.4	-174.8	-176	174.4	161.5	0	0	112.3	D317 T318 G323	D317-E321 PolarHBondContact N-OE2 3.06Å; T318-E321 WeakPolarHBondContact O-CB 3.39Å; T318-E321 PolarHBondContact O-N 3.44Å; E321-G323 PolarHBondContact O-N 2.95Å
322	G	74.9	Confident	86.8	Confident	38 Å²	38	37.4 Å²	37.4	39%	0.392	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	-6.5	-177.6	0	0	0	0	0	115.1	F320	F320-G322 PolarHBondContact O-N 2.96Å
323	G	77.5	Confident	86.9	Confident	0 Å²	0	39 Å²	39	0%	0	22%	0.223	C	C	.	.			trans	-82	154.3	176.4	0	0	0	0	0	114.3	E313 G314 F320 E321 S410	E313-G323 WeakPolarHBondContact CA-O 2.92Å; G314-G323 PolarHBondContact N-O 3.46Å; F320-G323 WeakPolarHBondContact O-CA 3.4Å; F320-G323 PolarHBondContact O-N 2.99Å; E321-G323 PolarHBondContact O-N 2.95Å; G323-S410 VanDerWaalsContact CA-OG 3.26Å; G323-S410 WeakPolarHBondContact CA-OG 3.26Å
324	F	79.5	Confident	87.3	Confident	28 Å²	28	38 Å²	38	12%	0.123	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	115.5	175.6	-68.6	-93.8	0	0	0	110.3	I311 E313 S410 K414	I311-F324 HydrophobicContact CG2-CB 4.33Å; I311-F324 HydrophobicContact CG2-CD1 4.03Å; E313-F324 HydrophobicContact CB-CE1 4.36Å; E313-F324 HydrophobicContact CG-CD1 3.95Å; E313-F324 HydrophobicContact CG-CE1 3.6Å; E313-F324 HydrophobicContact CG-CZ 4.45Å; F324-S410 PolarHBondContact N-OG 3.07Å; F324-K414 HydrophobicContact CD2-CB 4.25Å; F324-K414 HydrophobicContact CD2-CD 4.16Å; F324-K414 HydrophobicContact CE1-CD 4.23Å; F324-K414 HydrophobicContact CE2-CB 4.31Å; F324-K414 HydrophobicContact CE2-CD 3.42Å; F324-K414 VanDerWaalsContact CE2-CD 3.42Å; F324-K414 HydrophobicContact CE2-CG 4.49Å; F324-K414 HydrophobicContact CZ-CD 3.49Å; F324-K414 VanDerWaalsContact CZ-CD 3.49Å
325	Y	83.1	Confident	87.9	Confident	1 Å²	1	37.7 Å²	37.7	0%	0.004	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	110.7	-169.5	-51.7	-78.4	0	0	0	111.6	I311 V312 F320 T346 N348 M386 L407	I311-Y325 CarbonylContact C-O 3.52Å; I311-Y325 VanDerWaalsContact CA-O 3.31Å; I311-Y325 WeakPolarHBondContact CA-O 3.22Å; V312-Y325 PolarHBondContact N-O 2.95Å; V312-Y325 WeakPolarHBondContact O-CD2 3.26Å; V312-Y325 PolarHBondContact O-N 3.3Å; F320-Y325 HydrophobicContact CB-CE2 3.81Å; F320-Y325 HydrophobicContact CD1-CE2 4.27Å; F320-Y325 AromaticContact CD1-CZ 3.92Å; F320-Y325 WeakPolarHBondContact CD1-OH 3.48Å; F320-Y325 HydrophobicContact CG-CE2 4.39Å; Y325-T346 HydrophobicContact CD1-CG2 3.88Å; Y325-N348 HydrophobicContact CD1-CB 3.38Å; Y325-N348 HydrophobicContact CE1-CB 3.31Å; Y325-N348 HydrophobicContact CG-CB 4.3Å; Y325-M386 HydrophobicContact CD1-CE 4.21Å; Y325-M386 HydrophobicContact CD2-CE 3.42Å; Y325-M386 VanDerWaalsContact CD2-CE 3.42Å; Y325-M386 HydrophobicContact CD2-SD 4.44Å; Y325-M386 HydrophobicContact CE1-CE 4.33Å; Y325-M386 HydrophobicContact CE2-CE 3.59Å; Y325-M386 HydrophobicContact CG-CE 3.72Å; Y325-L407 WeakPolarHBondContact OH-CD2 3.25Å
326	H	82.6	Confident	88.2	Confident	9 Å²	9	37.7 Å²	37.7	4%	0.042	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	136.9	-178.2	177.4	-129.9	0	0	0	111	F180 Y183 H309 Y310 I311 M344 F345 T346	F180-H326 AromaticContact CD1-CD2 3.63Å; F180-H326 AromaticContact CD1-NE2 3.75Å; Y183-H326 WeakPolarHBondContact CB-CE1 3.17Å; Y183-H326 AromaticContact CD2-CE1 3.72Å; Y183-H326 AromaticContact CG-CE1 3.73Å; H309-H326 AromaticContact CG-NE2 3.6Å; H309-H326 AromaticContact ND1-CE1 3.46Å; H309-H326 PolarHBondContact ND1-CE1 3.27Å; H309-H326 AromaticContact ND1-NE2 3Å; H309-H326 PolarHBondContact ND1-NE2 2.92Å; Y310-H326 WeakPolarHBondContact O-CA 3.22Å; Y310-H326 PolarHBondContact O-CD2 3.27Å; Y310-H326 VanDerWaalsContact O-CD2 3.24Å; I311-H326 HydrophobicContact CG1-CB 4.3Å; H326-M344 VanDerWaalsContact O-SD 3.36Å; H326-F345 AromaticContact CE1-CD2 3.41Å; H326-F345 VanDerWaalsContact CE1-CD2 3.41Å; H326-F345 WeakPolarHBondContact CE1-CD2 3.43Å; H326-F345 AromaticContact CE1-CE2 3.75Å; H326-F345 AromaticContact ND1-CD2 3.46Å; H326-F345 WeakPolarHBondContact ND1-CD2 3.5Å; H326-F345 WeakPolarHBondContact O-CA 3.39Å; H326-F345 WeakPolarHBondContact O-CB 3.16Å; H326-F345 PolarHBondContact O-N 3.09Å; H326-T346 PolarHBondContact N-OG1 3.43Å; H326-T346 PolarHBondContact O-N 2.89Å
327	G	87.8	Confident	88.5	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	-172	174.6	0	0	0	0	0	112.9	H309 Y310 Y343	H309-G327 WeakPolarHBondContact CA-O 3.36Å; H309-G327 PolarHBondContact ND1-O 2.92Å; Y310-G327 PolarHBondContact N-O 3.01Å; Y310-G327 VanDerWaalsContact N-O 3.09Å; Y310-G327 PolarHBondContact O-N 3.48Å; G327-Y343 CarbonylContact C-O 3.59Å; G327-Y343 WeakPolarHBondContact CA-O 3.27Å
328	K	89.8	Confident	88.8	Confident	45 Å²	45	36.9 Å²	36.9	20%	0.196	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	151.7	174.6	67.9	168.8	173.6	-172.1	0	113.7	E307 W308 Y310 V330 Y343 F345	E307-K328 HydrophobicContact CG-CD 4.46Å; W308-K328 CarbonylContact O-C 3.43Å; W308-K328 WeakPolarHBondContact O-CA 3.33Å; W308-K328 VanDerWaalsContact O-CB 3.22Å; W308-K328 WeakPolarHBondContact O-CB 3.46Å; Y310-K328 VanDerWaalsContact CE1-C 3.46Å; Y310-K328 VanDerWaalsContact CE1-N 3.34Å; K328-V330 HydrophobicContact CD-CG2 3.96Å; K328-V330 HydrophobicContact CG-CG2 4.46Å; K328-Y343 HydrophobicContact CD-CD2 4.34Å; K328-Y343 HydrophobicContact CG-CD2 3.89Å; K328-Y343 HydrophobicContact CG-CG 4.16Å; K328-Y343 PolarHBondContact N-O 2.86Å; K328-Y343 PolarHBondContact O-N 2.95Å; K328-F345 HydrophobicContact CB-CE2 3.97Å; K328-F345 HydrophobicContact CB-CZ 4.17Å; K328-F345 HydrophobicContact CD-CE1 4.45Å; K328-F345 HydrophobicContact CD-CE2 4.16Å; K328-F345 HydrophobicContact CD-CZ 3.54Å; K328-F345 HydrophobicContact CG-CE1 4.41Å; K328-F345 HydrophobicContact CG-CE2 3.85Å; K328-F345 HydrophobicContact CG-CZ 3.55Å
329	L	95.9	Very high	89.2	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	135	165.1	-54.3	173.7	0	0	0	108.4	E307 W308 Y310 F331 P340 S341 I342 V375 I378 L379	E307-L329 WeakPolarHBondContact CA-O 3.31Å; W308-L329 HydrophobicContact CB-CB 4.27Å; W308-L329 PolarHBondContact N-O 3.17Å; W308-L329 PolarHBondContact O-N 3.31Å; Y310-L329 HydrophobicContact CD1-CD2 4.29Å; Y310-L329 HydrophobicContact CD1-CG 3.92Å; Y310-L329 HydrophobicContact CE1-CD2 3.87Å; Y310-L329 HydrophobicContact CE1-CG 3.96Å; L329-F331 HydrophobicContact CB-CE2 3.81Å; L329-F331 HydrophobicContact CB-CZ 4.01Å; L329-F331 HydrophobicContact CD1-CE2 4.25Å; L329-F331 HydrophobicContact CD1-CZ 3.84Å; L329-P340 HydrophobicContact CB-CB 4.47Å; L329-S341 WeakPolarHBondContact CA-O 3.41Å; L329-I342 HydrophobicContact CD2-CB 4.21Å; L329-I342 HydrophobicContact CD2-CD1 4.37Å; L329-I342 HydrophobicContact CD2-CG1 3.75Å; L329-I342 HydrophobicContact CD2-CG2 3.94Å; L329-V375 HydrophobicContact CD1-CG1 4.05Å; L329-I378 HydrophobicContact CD1-CG2 4.22Å; L329-I378 HydrophobicContact CD2-CG2 4.12Å; L329-L379 HydrophobicContact CD1-CD2 4.04Å; L329-L379 HydrophobicContact CD1-CG 4.46Å
330	V	94.9	Very high	89.7	Confident	44 Å²	44	31.9 Å²	31.9	27%	0.267	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	107.4	171.9	-177.1	0	0	0	0	108	L306 K328 P340 S341 Y343	L306-V330 CarbonylContact O-C 3.5Å; L306-V330 WeakPolarHBondContact O-CA 3.26Å; K328-V330 HydrophobicContact CD-CG2 3.96Å; K328-V330 HydrophobicContact CG-CG2 4.46Å; V330-P340 CarbonylContact O-C 3.59Å; V330-P340 VanDerWaalsContact O-CA 3.28Å; V330-P340 WeakPolarHBondContact O-CA 3.43Å; V330-S341 PolarHBondContact N-O 3.31Å; V330-S341 PolarHBondContact O-N 3.48Å; V330-Y343 HydrophobicContact CB-CE2 4.36Å; V330-Y343 HydrophobicContact CG2-CD2 4.24Å; V330-Y343 HydrophobicContact CG2-CE2 3.85Å
331	F	96.7	Very high	90.2	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.018	17%	0.173	C	C	.	.			trans	-81.8	137.8	178.1	-64.6	-79.2	0	0	0	110.6	L281 L306 W308 L329 Y335 P340 V375 I378	L281-F331 HydrophobicContact CD1-CB 4.08Å; L281-F331 HydrophobicContact CD1-CD2 4.19Å; L281-F331 HydrophobicContact CD1-CG 4.13Å; L281-F331 HydrophobicContact CD2-CD1 3.93Å; L281-F331 HydrophobicContact CD2-CD2 3.69Å; L281-F331 HydrophobicContact CD2-CE1 4Å; L281-F331 HydrophobicContact CD2-CE2 3.79Å; L281-F331 HydrophobicContact CD2-CG 3.78Å; L281-F331 HydrophobicContact CD2-CZ 3.95Å; L306-F331 HydrophobicContact CB-CB 4.41Å; L306-F331 WeakPolarHBondContact CB-O 3.15Å; L306-F331 HydrophobicContact CD2-CB 4.07Å; L306-F331 WeakPolarHBondContact O-CD2 3.36Å; L306-F331 PolarHBondContact O-N 3.46Å; W308-F331 HydrophobicContact CB-CE2 4.22Å; W308-F331 AromaticContact CD1-CD2 3.57Å; W308-F331 AromaticContact CD1-CE2 3.35Å; W308-F331 HydrophobicContact CD2-CE2 4.21Å; W308-F331 HydrophobicContact CG-CD2 4.32Å; W308-F331 AromaticContact CG-CE2 3.69Å; W308-F331 HydrophobicContact CG-CE2 3.69Å; W308-F331 AromaticContact NE1-CD2 3.85Å; W308-F331 AromaticContact NE1-CE2 3.67Å; L329-F331 HydrophobicContact CB-CE2 3.81Å; L329-F331 HydrophobicContact CB-CZ 4.01Å; L329-F331 HydrophobicContact CD1-CE2 4.25Å; L329-F331 HydrophobicContact CD1-CZ 3.84Å; F331-Y335 HydrophobicContact CB-CG 4.4Å; F331-Y335 HydrophobicContact CD1-CD1 4.34Å; F331-Y335 AromaticContact CD1-CD2 3.44Å; F331-Y335 HydrophobicContact CD1-CD2 3.44Å; F331-Y335 VanDerWaalsContact CD1-CD2 3.44Å; F331-Y335 HydrophobicContact CD1-CE1 4.36Å; F331-Y335 AromaticContact CD1-CE2 3.52Å; F331-Y335 HydrophobicContact CD1-CE2 3.52Å; F331-Y335 AromaticContact CD1-CG 3.9Å; F331-Y335 HydrophobicContact CD1-CG 3.9Å; F331-Y335 HydrophobicContact CE1-CD2 4.07Å; F331-Y335 AromaticContact CE1-CE2 3.64Å; F331-Y335 HydrophobicContact CE1-CE2 3.64Å; F331-Y335 AromaticContact CE1-CZ 3.9Å; F331-Y335 HydrophobicContact CG-CD2 4.39Å; F331-Y335 HydrophobicContact CG-CG 4.48Å; F331-P340 HydrophobicContact CD1-CB 3.69Å; F331-P340 HydrophobicContact CD1-CG 4.25Å; F331-P340 HydrophobicContact CE1-CB 3.72Å; F331-P340 HydrophobicContact CE1-CG 3.88Å; F331-P340 HydrophobicContact CG-CB 4.32Å; F331-P340 HydrophobicContact CZ-CB 4.35Å; F331-V375 HydrophobicContact CE1-CG2 4.24Å; F331-V375 HydrophobicContact CE2-CG2 4.32Å; F331-V375 HydrophobicContact CZ-CG1 4.37Å; F331-V375 HydrophobicContact CZ-CG2 3.63Å; F331-I378 HydrophobicContact CE1-CD1 4Å; F331-I378 HydrophobicContact CZ-CD1 4.48Å
332	P	94.8	Very high	90.8	Very high	34 Å²	34	27.5 Å²	27.5	22%	0.221	15%	0.151	C	C	.	.			trans	-75.5	159.6	174	35.9	-38.2	0	0	0	110.3	D334 Y335 K338 P339	P332-D334 WeakPolarHBondContact CB-OD1 3.45Å; P332-D334 PolarHBondContact O-N 3Å; P332-D334 VanDerWaalsContact O-N 3.16Å; P332-Y335 VanDerWaalsContact O-CB 3.3Å; P332-Y335 WeakPolarHBondContact O-CB 3.3Å; P332-Y335 PolarHBondContact O-N 3.03Å; P332-Y335 VanDerWaalsContact O-N 3.08Å; P332-K338 HydrophobicContact CB-CB 4.48Å; P332-K338 HydrophobicContact CG-CB 3.62Å; P332-P339 VanDerWaalsContact CD-O 3.24Å; P332-P339 WeakPolarHBondContact CD-O 3.39Å; P332-P339 WeakPolarHBondContact CG-O 3.5Å
333	A	92	Very high	91.6	Very high	35 Å²	35	27.8 Å²	27.8	29%	0.289	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-20.3	-175.5	0	0	0	0	0	113.7	S274 A277	S274-A333 VanDerWaalsContact CB-O 3.24Å; S274-A333 WeakPolarHBondContact CB-O 3.42Å; S274-A333 PolarHBondContact N-O 2.99Å; S274-A333 PolarHBondContact OG-O 3.26Å; A277-A333 WeakPolarHBondContact CB-O 3.47Å
334	D	91.3	Very high	92	Very high	58 Å²	58	27.8 Å²	27.8	31%	0.31	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	13.1	177.2	47.4	-18	0	0	0	113.6	P332 F337 K338	P332-D334 WeakPolarHBondContact CB-OD1 3.45Å; P332-D334 PolarHBondContact O-N 3Å; P332-D334 VanDerWaalsContact O-N 3.16Å; D334-F337 WeakPolarHBondContact O-CB 3.45Å; D334-F337 PolarHBondContact O-N 2.74Å; D334-K338 WeakPolarHBondContact OD2-CD 3.43Å; D334-K338 WeakPolarHBondContact OD2-CE 3.44Å; D334-K338 IonicContact OD2-NZ 3.91Å; D334-K338 PolarHBondContact OD2-NZ 3.05Å
335	Y	95.4	Very high	92	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	138.4	167.9	-174.3	-99	0	0	0	111.1	A277 R280 L281 D284 F331 P332 W369 W373	A277-Y335 WeakPolarHBondContact CA-O 3.23Å; A277-Y335 VanDerWaalsContact CB-O 3.3Å; A277-Y335 WeakPolarHBondContact CB-O 3.42Å; A277-Y335 PolarHBondContact N-O 2.95Å; R280-Y335 HydrophobicContact CB-CD1 4.26Å; R280-Y335 HydrophobicContact CB-CE1 4.24Å; R280-Y335 HydrophobicContact CG-CD1 3.85Å; R280-Y335 HydrophobicContact CG-CE1 3.41Å; R280-Y335 VanDerWaalsContact CG-CE1 3.41Å; L281-Y335 HydrophobicContact CD1-CD1 4.22Å; L281-Y335 HydrophobicContact CD2-CD1 3.73Å; L281-Y335 HydrophobicContact CD2-CE1 3.44Å; L281-Y335 VanDerWaalsContact CD2-CE1 3.44Å; L281-Y335 HydrophobicContact CG-CD1 3.66Å; L281-Y335 HydrophobicContact CG-CE1 3.78Å; D284-Y335 PolarHBondContact OD2-OH 2.84Å; F331-Y335 HydrophobicContact CB-CG 4.4Å; F331-Y335 HydrophobicContact CD1-CD1 4.34Å; F331-Y335 AromaticContact CD1-CD2 3.44Å; F331-Y335 HydrophobicContact CD1-CD2 3.44Å; F331-Y335 VanDerWaalsContact CD1-CD2 3.44Å; F331-Y335 HydrophobicContact CD1-CE1 4.36Å; F331-Y335 AromaticContact CD1-CE2 3.52Å; F331-Y335 HydrophobicContact CD1-CE2 3.52Å; F331-Y335 AromaticContact CD1-CG 3.9Å; F331-Y335 HydrophobicContact CD1-CG 3.9Å; F331-Y335 HydrophobicContact CE1-CD2 4.07Å; F331-Y335 AromaticContact CE1-CE2 3.64Å; F331-Y335 HydrophobicContact CE1-CE2 3.64Å; F331-Y335 AromaticContact CE1-CZ 3.9Å; F331-Y335 HydrophobicContact CG-CD2 4.39Å; F331-Y335 HydrophobicContact CG-CG 4.48Å; P332-Y335 VanDerWaalsContact O-CB 3.3Å; P332-Y335 WeakPolarHBondContact O-CB 3.3Å; P332-Y335 PolarHBondContact O-N 3.03Å; P332-Y335 VanDerWaalsContact O-N 3.08Å; Y335-W369 HydrophobicContact CD2-CZ2 4.48Å; Y335-W369 HydrophobicContact CE2-CH2 4.24Å; Y335-W369 AromaticContact CE2-CZ2 3.85Å; Y335-W369 HydrophobicContact CE2-CZ2 3.85Å; Y335-W373 PolarHBondContact OH-O 2.88Å
336	P	94.5	Very high	91.7	Very high	12 Å²	12	28.8 Å²	28.8	8%	0.078	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	cis	-90.3	10.5	8.7	36.9	-36.5	0	0	0	115.7	R280 K338 W369 P371	R280-P336 HydrophobicContact CG-CB 3.98Å; R280-P336 HydrophobicContact CG-CG 3.94Å; P336-K338 VanDerWaalsContact C-N 3.25Å; P336-K338 PolarHBondContact O-N 2.79Å; P336-W369 PolarHBondContact O-NE1 2.85Å; P336-P371 HydrophobicContact CB-CB 4.21Å; P336-P371 HydrophobicContact CG-CB 4.39Å; P336-P371 WeakPolarHBondContact O-CA 3.14Å; P336-P371 VanDerWaalsContact O-CB 3.26Å; P336-P371 WeakPolarHBondContact O-CB 3.49Å
337	F	94	Very high	91.6	Very high	138 Å²	138	31.1 Å²	31.1	61%	0.605	16%	0.163	S	C	*	.	S	Bend	trans	-75.7	-16	-176.4	-58.9	-64.6	0	0	0	113.7	L276 D334 P371	L276-F337 HydrophobicContact CD2-CD2 4.21Å; L276-F337 HydrophobicContact CD2-CE2 3.33Å; L276-F337 HydrophobicContact CD2-CZ 3.93Å; D334-F337 WeakPolarHBondContact O-CB 3.45Å; D334-F337 PolarHBondContact O-N 2.74Å; F337-P371 HydrophobicContact CD1-CG 4.45Å
338	K	94.9	Very high	91.3	Very high	105 Å²	105	31.1 Å²	31.1	46%	0.457	16%	0.163	S	C	.	.	S	Bend	trans	-124.4	149.7	172.6	-70.3	-169.2	-174	146.7	0	111.9	P332 D334 P336	P332-K338 HydrophobicContact CB-CB 4.48Å; P332-K338 HydrophobicContact CG-CB 3.62Å; D334-K338 WeakPolarHBondContact OD2-CD 3.43Å; D334-K338 WeakPolarHBondContact OD2-CE 3.44Å; D334-K338 IonicContact OD2-NZ 3.91Å; D334-K338 PolarHBondContact OD2-NZ 3.05Å; P336-K338 VanDerWaalsContact C-N 3.25Å; P336-K338 PolarHBondContact O-N 2.79Å
339	P	96.7	Very high	91.1	Very high	6 Å²	6	29.5 Å²	29.5	4%	0.039	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-69.7	162.1	178.9	-3.7	15.6	0	0	0	112.6	P332 S362 W369	P332-P339 VanDerWaalsContact CD-O 3.24Å; P332-P339 WeakPolarHBondContact CD-O 3.39Å; P332-P339 WeakPolarHBondContact CG-O 3.5Å; P339-S362 VanDerWaalsContact CB-C 3.45Å; P339-S362 WeakPolarHBondContact CG-O 3.22Å; P339-W369 HydrophobicContact CB-CD2 3.73Å; P339-W369 HydrophobicContact CB-CE3 3.51Å; P339-W369 HydrophobicContact CB-CG 4.2Å; P339-W369 HydrophobicContact CB-CZ3 3.97Å; P339-W369 HydrophobicContact CG-CB 3.81Å; P339-W369 HydrophobicContact CG-CD2 3.79Å; P339-W369 HydrophobicContact CG-CE3 3.95Å; P339-W369 HydrophobicContact CG-CG 3.7Å
340	P	97.4	Very high	90.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-77.5	157	167	33.3	-34.7	0	0	0	113.2	L329 V330 F331 S362 D363 I378	L329-P340 HydrophobicContact CB-CB 4.47Å; V330-P340 CarbonylContact O-C 3.59Å; V330-P340 VanDerWaalsContact O-CA 3.28Å; V330-P340 WeakPolarHBondContact O-CA 3.43Å; F331-P340 HydrophobicContact CD1-CB 3.69Å; F331-P340 HydrophobicContact CD1-CG 4.25Å; F331-P340 HydrophobicContact CE1-CB 3.72Å; F331-P340 HydrophobicContact CE1-CG 3.88Å; F331-P340 HydrophobicContact CG-CB 4.32Å; F331-P340 HydrophobicContact CZ-CB 4.35Å; P340-S362 WeakPolarHBondContact O-CA 3.4Å; P340-D363 PolarHBondContact O-N 3.33Å; P340-I378 HydrophobicContact CG-CD1 3.92Å; P340-I378 HydrophobicContact CG-CG2 4.12Å
341	S	96.6	Very high	90.4	Very high	20 Å²	20	28.5 Å²	28.5	14%	0.14	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	137.6	159	-41.6	0	0	0	0	109.7	L329 V330 D363	L329-S341 WeakPolarHBondContact CA-O 3.41Å; V330-S341 PolarHBondContact N-O 3.31Å; V330-S341 PolarHBondContact O-N 3.48Å; S341-D363 VanDerWaalsContact CB-OD2 3.3Å; S341-D363 WeakPolarHBondContact CB-OD2 3.45Å; S341-D363 PolarHBondContact OG-OD2 3.06Å
342	I	96.4	Very high	89.8	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	134.6	-175.8	-50.7	179.1	0	0	0	109.3	L329 R356 L357 L359 I361 I378 L382	L329-I342 HydrophobicContact CD2-CB 4.21Å; L329-I342 HydrophobicContact CD2-CD1 4.37Å; L329-I342 HydrophobicContact CD2-CG1 3.75Å; L329-I342 HydrophobicContact CD2-CG2 3.94Å; I342-R356 WeakPolarHBondContact O-CA 3.43Å; I342-L357 HydrophobicContact CB-CB 4.41Å; I342-L357 HydrophobicContact CG2-CD1 4.24Å; I342-L357 PolarHBondContact O-N 3.28Å; I342-L359 HydrophobicContact CD1-CD1 3.81Å; I342-L359 HydrophobicContact CD1-CG 4.37Å; I342-I361 HydrophobicContact CD1-CD1 4.18Å; I342-I361 HydrophobicContact CD1-CG1 4.04Å; I342-I378 HydrophobicContact CD1-CG2 4.22Å; I342-L382 HydrophobicContact CG2-CD1 4.03Å; I342-L382 HydrophobicContact CG2-CD2 4.25Å
343	Y	91.3	Very high	89.3	Confident	44 Å²	44	34.7 Å²	34.7	17%	0.173	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	139.4	-177.2	-59.9	-96.9	0	0	0	111.5	Y310 G327 K328 V330 C355 R356	Y310-Y343 PolarHBondContact OH-O 2.89Å; G327-Y343 CarbonylContact C-O 3.59Å; G327-Y343 WeakPolarHBondContact CA-O 3.27Å; K328-Y343 HydrophobicContact CD-CD2 4.34Å; K328-Y343 HydrophobicContact CG-CD2 3.89Å; K328-Y343 HydrophobicContact CG-CG 4.16Å; K328-Y343 PolarHBondContact N-O 2.86Å; K328-Y343 PolarHBondContact O-N 2.95Å; V330-Y343 HydrophobicContact CB-CE2 4.36Å; V330-Y343 HydrophobicContact CG2-CD2 4.24Å; V330-Y343 HydrophobicContact CG2-CE2 3.85Å; Y343-C355 WeakPolarHBondContact CD1-O 3.48Å; Y343-R356 HydrophobicContact CD1-CG 4.4Å; Y343-R356 HydrophobicContact CE1-CB 4.36Å; Y343-R356 HydrophobicContact CE1-CG 3.49Å; Y343-R356 VanDerWaalsContact CE1-CG 3.49Å; Y343-R356 HydrophobicContact CE2-CG 4.31Å; Y343-R356 VanDerWaalsContact CZ-CG 3.42Å; Y343-R356 VanDerWaalsContact OH-CG 3.24Å; Y343-R356 WeakPolarHBondContact OH-CG 3.41Å
344	M	86.3	Confident	88.8	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	140.2	167.7	-165.3	65.2	73.6	0	0	110.1	Y310 H326 F351 T353 N354 L357 M386	Y310-M344 HydrophobicContact CE2-CE 4.15Å; Y310-M344 HydrophobicContact CE2-SD 4.29Å; H326-M344 VanDerWaalsContact O-SD 3.36Å; M344-F351 HydrophobicContact CB-CB 4.12Å; M344-F351 HydrophobicContact CB-CD2 4.35Å; M344-F351 HydrophobicContact CE-CD2 3.86Å; M344-F351 HydrophobicContact CE-CE2 4.17Å; M344-F351 HydrophobicContact CG-CD2 4.47Å; M344-T353 CarbonylContact O-C 3.53Å; M344-T353 VanDerWaalsContact O-CA 3.26Å; M344-T353 WeakPolarHBondContact O-CA 3.32Å; M344-N354 PolarHBondContact O-N 2.86Å; M344-L357 HydrophobicContact CB-CD1 4.44Å; M344-M386 HydrophobicContact CE-SD 4.22Å
345	F	80	Confident	88.4	Confident	39 Å²	39	36.9 Å²	36.9	17%	0.171	19%	0.191	C	C	.	.			trans	-108.4	-39.8	176.1	-60.4	-51.3	0	0	0	112.6	Y183 H309 H326 K328 P347 T353 N354	Y183-F345 HydrophobicContact CD2-CE2 4.4Å; H309-F345 AromaticContact CE1-CE2 3.83Å; H309-F345 AromaticContact ND1-CE2 3.98Å; H326-F345 AromaticContact CE1-CD2 3.41Å; H326-F345 VanDerWaalsContact CE1-CD2 3.41Å; H326-F345 WeakPolarHBondContact CE1-CD2 3.43Å; H326-F345 AromaticContact CE1-CE2 3.75Å; H326-F345 AromaticContact ND1-CD2 3.46Å; H326-F345 WeakPolarHBondContact ND1-CD2 3.5Å; H326-F345 WeakPolarHBondContact O-CA 3.39Å; H326-F345 WeakPolarHBondContact O-CB 3.16Å; H326-F345 PolarHBondContact O-N 3.09Å; K328-F345 HydrophobicContact CB-CE2 3.97Å; K328-F345 HydrophobicContact CB-CZ 4.17Å; K328-F345 HydrophobicContact CD-CE1 4.45Å; K328-F345 HydrophobicContact CD-CE2 4.16Å; K328-F345 HydrophobicContact CD-CZ 3.54Å; K328-F345 HydrophobicContact CG-CE1 4.41Å; K328-F345 HydrophobicContact CG-CE2 3.85Å; K328-F345 HydrophobicContact CG-CZ 3.55Å; F345-P347 WeakPolarHBondContact O-CD 3.38Å; F345-T353 WeakPolarHBondContact O-CG2 2.99Å; F345-N354 WeakPolarHBondContact CD1-OD1 3.3Å; F345-N354 WeakPolarHBondContact CE1-OD1 3.08Å
346	T	76.6	Confident	88.2	Confident	11 Å²	11	41.1 Å²	41.1	7%	0.067	21%	0.207	C	C	.	.	S	Bend	trans	-71.2	125.2	177.4	-55	0	0	0	0	109.7	Y325 H326 N348	Y325-T346 HydrophobicContact CD1-CG2 3.88Å; H326-T346 PolarHBondContact N-OG1 3.43Å; H326-T346 PolarHBondContact O-N 2.89Å; T346-N348 PolarHBondContact O-N 3.24Å
347	P	80.2	Confident	88.1	Confident	59 Å²	59	40.6 Å²	40.6	38%	0.383	20%	0.203	S	C	.	.			trans	-57.9	128	169.4	-21.5	32.4	0	0	0	110.6	F345 T353 L406	F345-P347 WeakPolarHBondContact O-CD 3.38Å; P347-T353 HydrophobicContact CB-CG2 4.27Å; P347-T353 HydrophobicContact CG-CG2 3.93Å; P347-L406 HydrophobicContact CB-CD1 4.33Å; P347-L406 HydrophobicContact CB-CD2 4.01Å
348	N	81.4	Confident	88	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.181	C	C	.	.			trans	-135	-2	-175	64.6	11.4	0	0	0	114	Y325 T346 R350 F351 M386	Y325-N348 HydrophobicContact CD1-CB 3.38Å; Y325-N348 HydrophobicContact CE1-CB 3.31Å; Y325-N348 HydrophobicContact CG-CB 4.3Å; T346-N348 PolarHBondContact O-N 3.24Å; N348-R350 PolarHBondContact O-N 2.8Å; N348-R350 WeakPolarHBondContact OD1-CA 3.01Å; N348-R350 PolarHBondContact OD1-N 3.49Å; N348-F351 WeakPolarHBondContact ND2-CD2 3.4Å; N348-F351 PolarHBondContact OD1-N 3.31Å; N348-F351 PolarHBondContact OD1-O 3.35Å; N348-M386 HydrophobicContact CB-CE 4.26Å
349	G	85	Confident	87.8	Confident	11 Å²	11	30.2 Å²	30.2	11%	0.113	16%	0.161	C	C	.	.	S	Bend	trans	74.5	-2.1	-175.6	0	0	0	0	0	114.7	T398 L406	G349-T398 VanDerWaalsContact O-CB 3.23Å; G349-T398 WeakPolarHBondContact O-CB 3.24Å; G349-T398 PolarHBondContact O-OG1 3.28Å; G349-L406 VanDerWaalsContact N-CD1 3.34Å
350	R	88.1	Confident	87.4	Confident	18 Å²	18	33.8 Å²	33.8	7%	0.068	19%	0.186	C	C	.	.	S	Bend	trans	-108.2	-38.9	178.8	177.8	59.8	-176.9	97.3	-8.1	113	F320 N348 E388 S390 S395 V396	F320-R350 HydrophobicContact CE1-CB 4.13Å; F320-R350 HydrophobicContact CZ-CB 3.93Å; F320-R350 HydrophobicContact CZ-CG 4.39Å; N348-R350 PolarHBondContact O-N 2.8Å; N348-R350 WeakPolarHBondContact OD1-CA 3.01Å; N348-R350 PolarHBondContact OD1-N 3.49Å; R350-E388 PolarHBondContact NE-O 2.98Å; R350-E388 PolarHBondContact NH2-O 3.3Å; R350-S390 PolarHBondContact NH2-O 3.5Å; R350-S395 VanDerWaalsContact O-CA 3.28Å; R350-S395 WeakPolarHBondContact O-CA 3.22Å; R350-V396 PolarHBondContact O-N 3.33Å
351	F	89.2	Confident	87.1	Confident	4 Å²	4	34.5 Å²	34.5	2%	0.018	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-126.2	142.5	-176.8	-57.6	-49.5	0	0	0	111.3	M344 N348 L357 L382 F385 M386 G394	M344-F351 HydrophobicContact CB-CB 4.12Å; M344-F351 HydrophobicContact CB-CD2 4.35Å; M344-F351 HydrophobicContact CE-CD2 3.86Å; M344-F351 HydrophobicContact CE-CE2 4.17Å; M344-F351 HydrophobicContact CG-CD2 4.47Å; N348-F351 WeakPolarHBondContact ND2-CD2 3.4Å; N348-F351 PolarHBondContact OD1-N 3.31Å; N348-F351 PolarHBondContact OD1-O 3.35Å; F351-L357 HydrophobicContact CB-CD1 4.31Å; F351-L357 HydrophobicContact CB-CD2 3.93Å; F351-L357 HydrophobicContact CD1-CD1 4.02Å; F351-L357 HydrophobicContact CD1-CD2 3.92Å; F351-L357 HydrophobicContact CD2-CD1 3.88Å; F351-L357 HydrophobicContact CE1-CD1 4.35Å; F351-L357 HydrophobicContact CE2-CD1 4.23Å; F351-L357 HydrophobicContact CG-CD1 3.8Å; F351-L357 HydrophobicContact CG-CD2 4Å; F351-L357 HydrophobicContact CZ-CD1 4.47Å; F351-L382 HydrophobicContact CE2-CD1 4.37Å; F351-F385 AromaticContact CE1-CD1 3.81Å; F351-F385 HydrophobicContact CE1-CD1 3.81Å; F351-F385 AromaticContact CE1-CE1 3.84Å; F351-F385 HydrophobicContact CE1-CE1 3.84Å; F351-F385 AromaticContact CZ-CD1 3.77Å; F351-F385 HydrophobicContact CZ-CD1 3.77Å; F351-F385 HydrophobicContact CZ-CE1 4.29Å; F351-M386 HydrophobicContact CE2-CB 3.96Å; F351-M386 HydrophobicContact CE2-CG 4.03Å; F351-M386 HydrophobicContact CE2-SD 4.47Å; F351-M386 HydrophobicContact CZ-CB 4.23Å; F351-G394 CarbonylContact C-O 3.45Å; F351-G394 VanDerWaalsContact CA-O 3.25Å; F351-G394 WeakPolarHBondContact CA-O 3.47Å
352	M	84.8	Confident	87	Confident	113 Å²	113	33.6 Å²	33.6	56%	0.557	18%	0.183	S	C	*	.			trans	-72.4	132.3	170	-175.1	174.6	-106.5	0	0	109.2	C355 G394 V396	M352-C355 HydrophobicContact CB-CB 4.12Å; M352-C355 HydrophobicContact CG-CB 4.2Å; M352-C355 HydrophobicContact SD-CB 4.5Å; M352-G394 PolarHBondContact N-O 3.36Å; M352-V396 HydrophobicContact CB-CG2 4.12Å
353	T	82.4	Confident	86.9	Confident	55 Å²	55	35.4 Å²	35.4	34%	0.337	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	148.2	-177	60.2	0	0	0	0	111.4	M344 F345 P347 C355	M344-T353 CarbonylContact O-C 3.53Å; M344-T353 VanDerWaalsContact O-CA 3.26Å; M344-T353 WeakPolarHBondContact O-CA 3.32Å; F345-T353 WeakPolarHBondContact O-CG2 2.99Å; P347-T353 HydrophobicContact CB-CG2 4.27Å; P347-T353 HydrophobicContact CG-CG2 3.93Å; T353-C355 PolarHBondContact O-N 2.68Å
354	N	81.9	Confident	87.1	Confident	103 Å²	103	36.6 Å²	36.6	55%	0.551	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.7	12.9	-179.6	-68.4	-74.2	0	0	0	115.5	M344 F345	M344-N354 PolarHBondContact O-N 2.86Å; F345-N354 WeakPolarHBondContact CD1-OD1 3.3Å; F345-N354 WeakPolarHBondContact CE1-OD1 3.08Å
355	C	83.9	Confident	87.3	Confident	37 Å²	37	40.2 Å²	40.2	25%	0.25	22%	0.215	C	C	.	.	S	Bend	trans	-96.8	148.2	177.3	-167.8	0	0	0	0	111.1	Y343 M352 T353 L357	Y343-C355 WeakPolarHBondContact CD1-O 3.48Å; M352-C355 HydrophobicContact CB-CB 4.12Å; M352-C355 HydrophobicContact CG-CB 4.2Å; M352-C355 HydrophobicContact SD-CB 4.5Å; T353-C355 PolarHBondContact O-N 2.68Å; C355-L357 PolarHBondContact O-N 3.36Å
356	R	90.5	Very high	87.9	Confident	89 Å²	89	41.8 Å²	41.8	34%	0.336	23%	0.229	S	C	.	.	B	Isolated β-bridge	trans	-69.5	124.7	171.4	-75.5	177.1	57.4	-164.6	-11.2	108.9	I342 Y343 D363 F364	I342-R356 WeakPolarHBondContact O-CA 3.43Å; Y343-R356 HydrophobicContact CD1-CG 4.4Å; Y343-R356 HydrophobicContact CE1-CB 4.36Å; Y343-R356 HydrophobicContact CE1-CG 3.49Å; Y343-R356 VanDerWaalsContact CE1-CG 3.49Å; Y343-R356 HydrophobicContact CE2-CG 4.31Å; Y343-R356 VanDerWaalsContact CZ-CG 3.42Å; Y343-R356 VanDerWaalsContact OH-CG 3.24Å; Y343-R356 WeakPolarHBondContact OH-CG 3.41Å; R356-D363 VanDerWaalsContact CZ-CG 3.49Å; R356-D363 IonicContact CZ-OD1 3.38Å; R356-D363 IonicContact CZ-OD2 3Å; R356-D363 IonicContact NE-OD1 3.28Å; R356-D363 PolarHBondContact NE-OD1 2.91Å; R356-D363 IonicContact NE-OD2 3.06Å; R356-D363 PolarHBondContact NE-OD2 3.42Å; R356-D363 IonicContact NH1-OD2 2.7Å; R356-D363 IonicContact NH2-OD1 2.85Å; R356-D363 PolarHBondContact NH2-OD1 3.04Å; R356-D363 IonicContact NH2-OD2 2.57Å; R356-D363 PolarHBondContact NH2-OD2 3.48Å; R356-F364 HydrophobicContact CB-CE2 3.67Å; R356-F364 HydrophobicContact CB-CZ 3.77Å
357	L	92.7	Very high	88.6	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-88.1	128.6	178.8	-53.9	-177.3	0	0	0	110.8	I342 M344 F351 C355 L359 S362 L382	I342-L357 HydrophobicContact CB-CB 4.41Å; I342-L357 HydrophobicContact CG2-CD1 4.24Å; I342-L357 PolarHBondContact O-N 3.28Å; M344-L357 HydrophobicContact CB-CD1 4.44Å; F351-L357 HydrophobicContact CB-CD1 4.31Å; F351-L357 HydrophobicContact CB-CD2 3.93Å; F351-L357 HydrophobicContact CD1-CD1 4.02Å; F351-L357 HydrophobicContact CD1-CD2 3.92Å; F351-L357 HydrophobicContact CD2-CD1 3.88Å; F351-L357 HydrophobicContact CE1-CD1 4.35Å; F351-L357 HydrophobicContact CE2-CD1 4.23Å; F351-L357 HydrophobicContact CG-CD1 3.8Å; F351-L357 HydrophobicContact CG-CD2 4Å; F351-L357 HydrophobicContact CZ-CD1 4.47Å; C355-L357 PolarHBondContact O-N 3.36Å; L357-L359 HydrophobicContact CB-CG 4.39Å; L357-L359 PolarHBondContact O-N 3.24Å; L357-S362 WeakPolarHBondContact O-CB 3.06Å; L357-S362 PolarHBondContact O-OG 3.35Å; L357-L382 HydrophobicContact CD1-CD1 4.35Å
358	C	92.3	Very high	89.2	Confident	21 Å²	21	50 Å²	50	14%	0.142	27%	0.273	C	S	.	.			trans	-88.4	96	175.9	-172.4	0	0	0	0	109.9	F364 H365 T392 L393	C358-F364 HydrophobicContact CB-CB 4.38Å; C358-F364 HydrophobicContact CB-CD2 3.72Å; C358-F364 HydrophobicContact CB-CE2 4.08Å; C358-F364 HydrophobicContact CB-CG 4.02Å; C358-F364 VanDerWaalsContact SG-CB 3.54Å; C358-H365 PolarHBondContact SG-NE2 3.39Å; C358-T392 WeakPolarHBondContact CB-OG1 3.45Å; C358-T392 PolarHBondContact O-OG1 2.91Å; C358-L393 HydrophobicContact CB-CB 3.61Å; C358-L393 HydrophobicContact CB-CD2 4.46Å; C358-L393 PolarHBondContact N-O 3.44Å
359	L	90.7	Very high	89.8	Confident	5 Å²	5	51 Å²	51	3%	0.026	28%	0.276	C	S	.	.			trans	-116.4	156.3	175.4	-53.1	-170.4	0	0	0	108.2	I342 L357 I361 S362 H365 L382 F385	I342-L359 HydrophobicContact CD1-CD1 3.81Å; I342-L359 HydrophobicContact CD1-CG 4.37Å; L357-L359 HydrophobicContact CB-CG 4.39Å; L357-L359 PolarHBondContact O-N 3.24Å; L359-I361 HydrophobicContact CB-CG1 3.8Å; L359-I361 HydrophobicContact CD1-CD1 4.3Å; L359-I361 HydrophobicContact CD1-CG1 4.25Å; L359-I361 PolarHBondContact O-N 2.89Å; L359-S362 PolarHBondContact N-OG 3.43Å; L359-S362 PolarHBondContact O-N 3.46Å; L359-S362 PolarHBondContact O-OG 2.92Å; L359-S362 VanDerWaalsContact O-OG 3.09Å; L359-H365 PolarHBondContact O-CD2 2.91Å; L359-H365 VanDerWaalsContact O-CD2 3.28Å; L359-L382 HydrophobicContact CD1-CB 4.37Å; L359-L382 HydrophobicContact CD1-CD1 3.78Å; L359-F385 HydrophobicContact CD2-CB 4.15Å; L359-F385 HydrophobicContact CD2-CD1 3.06Å; L359-F385 HydrophobicContact CD2-CD2 4.04Å; L359-F385 HydrophobicContact CD2-CE1 3.26Å; L359-F385 HydrophobicContact CD2-CE2 4.2Å; L359-F385 HydrophobicContact CD2-CG 3.47Å; L359-F385 VanDerWaalsContact CD2-CG 3.47Å; L359-F385 HydrophobicContact CD2-CZ 3.86Å; L359-F385 HydrophobicContact CG-CD1 4.43Å
360	S	88	Confident	90.3	Very high	81 Å²	81	53.9 Å²	53.9	57%	0.566	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-18.6	174.5	55.1	0	0	0	0	114.3	T368	S360-T368 PolarHBondContact O-OG1 3.03Å
361	I	91.9	Very high	90.6	Very high	15 Å²	15	55.3 Å²	55.3	8%	0.077	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	3.9	179	58.7	172.1	0	0	0	113.9	I342 L359 W369 W373 I378	I342-I361 HydrophobicContact CD1-CD1 4.18Å; I342-I361 HydrophobicContact CD1-CG1 4.04Å; L359-I361 HydrophobicContact CB-CG1 3.8Å; L359-I361 HydrophobicContact CD1-CD1 4.3Å; L359-I361 HydrophobicContact CD1-CG1 4.25Å; L359-I361 PolarHBondContact O-N 2.89Å; I361-W369 WeakPolarHBondContact O-CZ3 3.39Å; I361-W373 HydrophobicContact CB-CZ3 4.37Å; I361-W373 HydrophobicContact CG2-CE3 3.92Å; I361-W373 HydrophobicContact CG2-CH2 4.11Å; I361-W373 HydrophobicContact CG2-CZ3 3.63Å; I361-I378 HydrophobicContact CD1-CB 4.37Å; I361-I378 HydrophobicContact CD1-CG2 3.94Å; I361-I378 WeakPolarHBondContact CD1-O 3.46Å
362	S	94.2	Very high	90.9	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	33%	0.328	C	S	.	.	S	Bend	trans	-104.1	170.4	-177.5	79.3	0	0	0	0	113.4	P339 P340 L357 L359 F364 H365	P339-S362 VanDerWaalsContact CB-C 3.45Å; P339-S362 WeakPolarHBondContact CG-O 3.22Å; P340-S362 WeakPolarHBondContact O-CA 3.4Å; L357-S362 WeakPolarHBondContact O-CB 3.06Å; L357-S362 PolarHBondContact O-OG 3.35Å; L359-S362 PolarHBondContact N-OG 3.43Å; L359-S362 PolarHBondContact O-N 3.46Å; L359-S362 PolarHBondContact O-OG 2.92Å; L359-S362 VanDerWaalsContact O-OG 3.09Å; S362-F364 PolarHBondContact O-N 2.89Å; S362-H365 PolarHBondContact O-N 3.41Å
363	D	94.2	Very high	91.4	Very high	38 Å²	38	57.1 Å²	57.1	20%	0.203	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-5.3	-174.8	64.3	-9.8	0	0	0	115.8	P340 S341 R356 H365	P340-D363 PolarHBondContact O-N 3.33Å; S341-D363 VanDerWaalsContact CB-OD2 3.3Å; S341-D363 WeakPolarHBondContact CB-OD2 3.45Å; S341-D363 PolarHBondContact OG-OD2 3.06Å; R356-D363 VanDerWaalsContact CZ-CG 3.49Å; R356-D363 IonicContact CZ-OD1 3.38Å; R356-D363 IonicContact CZ-OD2 3Å; R356-D363 IonicContact NE-OD1 3.28Å; R356-D363 PolarHBondContact NE-OD1 2.91Å; R356-D363 IonicContact NE-OD2 3.06Å; R356-D363 PolarHBondContact NE-OD2 3.42Å; R356-D363 IonicContact NH1-OD2 2.7Å; R356-D363 IonicContact NH2-OD1 2.85Å; R356-D363 PolarHBondContact NH2-OD1 3.04Å; R356-D363 IonicContact NH2-OD2 2.57Å; R356-D363 PolarHBondContact NH2-OD2 3.48Å; D363-H365 VanDerWaalsContact C-N 3.34Å
364	F	93.9	Very high	92	Very high	69 Å²	69	55 Å²	55	30%	0.303	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-22.2	169.8	-68.5	-83.2	0	0	0	113.4	R356 C358 S362 P366 L393	R356-F364 HydrophobicContact CB-CE2 3.67Å; R356-F364 HydrophobicContact CB-CZ 3.77Å; C358-F364 HydrophobicContact CB-CB 4.38Å; C358-F364 HydrophobicContact CB-CD2 3.72Å; C358-F364 HydrophobicContact CB-CE2 4.08Å; C358-F364 HydrophobicContact CB-CG 4.02Å; C358-F364 VanDerWaalsContact SG-CB 3.54Å; S362-F364 PolarHBondContact O-N 2.89Å; F364-P366 VanDerWaalsContact C-CD 3.41Å; F364-P366 WeakPolarHBondContact O-CD 3.46Å; F364-L393 HydrophobicContact CD1-CD2 4.4Å; F364-L393 HydrophobicContact CE1-CD2 3.53Å; F364-L393 HydrophobicContact CE2-CD2 4.1Å; F364-L393 HydrophobicContact CZ-CD2 3.34Å
365	H	91.6	Very high	92.6	Very high	76 Å²	76	50.1 Å²	50.1	35%	0.352	28%	0.278	S	S	.	.			trans	-123.5	67.2	-175.4	-60.1	-78	0	0	0	111.8	C358 L359 S362 D363 D367 T368 W369	C358-H365 PolarHBondContact SG-NE2 3.39Å; L359-H365 PolarHBondContact O-CD2 2.91Å; L359-H365 VanDerWaalsContact O-CD2 3.28Å; S362-H365 PolarHBondContact O-N 3.41Å; D363-H365 VanDerWaalsContact C-N 3.34Å; H365-D367 PolarHBondContact O-N 2.9Å; H365-T368 VanDerWaalsContact CB-OG1 3.32Å; H365-T368 WeakPolarHBondContact CB-OG1 3Å; H365-T368 PolarHBondContact O-N 3.4Å; H365-T368 PolarHBondContact O-OG1 3.44Å; H365-W369 PolarHBondContact O-N 3.07Å
366	P	91.7	Very high	93.2	Very high	72 Å²	72	48.9 Å²	48.9	47%	0.468	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-64	-27.4	178.7	27.8	-35.1	0	0	0	113	F364 W369	F364-P366 VanDerWaalsContact C-CD 3.41Å; F364-P366 WeakPolarHBondContact O-CD 3.46Å; P366-W369 WeakPolarHBondContact O-CB 3.27Å; P366-W369 PolarHBondContact O-N 3.2Å
367	D	91.6	Very high	93.4	Very high	159 Å²	159	46.5 Å²	46.5	85%	0.85	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-75.3	-26.6	-177.2	-57.8	-37.5	0	0	0	113.2	H365	H365-D367 PolarHBondContact O-N 2.9Å
368	T	92.9	Very high	93.6	Very high	83 Å²	83	46.5 Å²	46.5	51%	0.509	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-97.9	2.8	177.8	62	0	0	0	0	112.9	S360 H365	S360-T368 PolarHBondContact O-OG1 3.03Å; H365-T368 VanDerWaalsContact CB-OG1 3.32Å; H365-T368 WeakPolarHBondContact CB-OG1 3Å; H365-T368 PolarHBondContact O-N 3.4Å; H365-T368 PolarHBondContact O-OG1 3.44Å
369	W	95.4	Very high	93.8	Very high	21 Å²	21	45.6 Å²	45.6	8%	0.08	27%	0.265	C	S	.	.			trans	-73.4	133.7	-178.2	175.5	-111	0	0	0	111.9	Y335 P336 P339 I361 H365 P366 W373 I378	Y335-W369 HydrophobicContact CD2-CZ2 4.48Å; Y335-W369 HydrophobicContact CE2-CH2 4.24Å; Y335-W369 AromaticContact CE2-CZ2 3.85Å; Y335-W369 HydrophobicContact CE2-CZ2 3.85Å; P336-W369 PolarHBondContact O-NE1 2.85Å; P339-W369 HydrophobicContact CB-CD2 3.73Å; P339-W369 HydrophobicContact CB-CE3 3.51Å; P339-W369 HydrophobicContact CB-CG 4.2Å; P339-W369 HydrophobicContact CB-CZ3 3.97Å; P339-W369 HydrophobicContact CG-CB 3.81Å; P339-W369 HydrophobicContact CG-CD2 3.79Å; P339-W369 HydrophobicContact CG-CE3 3.95Å; P339-W369 HydrophobicContact CG-CG 3.7Å; I361-W369 WeakPolarHBondContact O-CZ3 3.39Å; H365-W369 PolarHBondContact O-N 3.07Å; P366-W369 WeakPolarHBondContact O-CB 3.27Å; P366-W369 PolarHBondContact O-N 3.2Å; W369-W373 HydrophobicContact CD2-CE3 4.47Å; W369-W373 AromaticContact CE3-CE3 3.7Å; W369-W373 HydrophobicContact CE3-CE3 3.7Å; W369-W373 AromaticContact CE3-CZ3 3.99Å; W369-W373 HydrophobicContact CE3-CZ3 3.99Å; W369-W373 HydrophobicContact CH2-CB 4.37Å; W369-W373 HydrophobicContact CH2-CE3 4.45Å; W369-W373 AromaticContact CZ3-CE3 3.71Å; W369-W373 HydrophobicContact CZ3-CE3 3.71Å; W369-W373 HydrophobicContact CZ3-CZ3 4.37Å; W369-I378 HydrophobicContact CH2-CD1 3.73Å; W369-I378 HydrophobicContact CH2-CG1 4.15Å; W369-I378 HydrophobicContact CZ3-CD1 4.29Å; W369-I378 HydrophobicContact CZ3-CG1 4.33Å
370	N	94.8	Very high	94	Very high	73 Å²	73	48.8 Å²	48.8	39%	0.39	29%	0.285	S	S	.	.			trans	-109	111.1	172.3	-173	-14.4	0	0	0	110.8	A372 W373	N370-A372 PolarHBondContact O-N 2.98Å; N370-A372 VanDerWaalsContact OD1-CB 3.23Å; N370-A372 WeakPolarHBondContact OD1-CB 3.32Å; N370-A372 PolarHBondContact OD1-N 3.09Å; N370-W373 HydrophobicContact CB-CD2 3.73Å; N370-W373 HydrophobicContact CB-CE3 3.99Å; N370-W373 HydrophobicContact CB-CG 4.17Å; N370-W373 HydrophobicContact CB-CH2 4.3Å; N370-W373 HydrophobicContact CB-CZ2 4.06Å; N370-W373 HydrophobicContact CB-CZ3 4.25Å; N370-W373 WeakPolarHBondContact O-CB 3.46Å; N370-W373 PolarHBondContact O-N 3.28Å
371	P	94.6	Very high	94.4	Very high	48 Å²	48	46.1 Å²	46.1	31%	0.312	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-16.4	176.6	-27.8	36.4	0	0	0	115.6	P336 F337 W373	P336-P371 HydrophobicContact CB-CB 4.21Å; P336-P371 HydrophobicContact CG-CB 4.39Å; P336-P371 WeakPolarHBondContact O-CA 3.14Å; P336-P371 VanDerWaalsContact O-CB 3.26Å; P336-P371 WeakPolarHBondContact O-CB 3.49Å; F337-P371 HydrophobicContact CD1-CG 4.45Å; P371-W373 VanDerWaalsContact C-N 3.31Å
372	A	94.4	Very high	94.5	Very high	71 Å²	71	45.4 Å²	45.4	59%	0.587	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-16.9	175.1	0	0	0	0	0	113.4	N370 S374	N370-A372 PolarHBondContact O-N 2.98Å; N370-A372 VanDerWaalsContact OD1-CB 3.23Å; N370-A372 WeakPolarHBondContact OD1-CB 3.32Å; N370-A372 PolarHBondContact OD1-N 3.09Å; A372-S374 PolarHBondContact O-N 2.77Å
373	W	95.3	Very high	94.5	Very high	83 Å²	83	46.4 Å²	46.4	31%	0.314	27%	0.272	S	S	.	.			trans	-64.3	134.6	176.6	-69.9	-26.5	0	0	0	111	R280 Y335 I361 W369 N370 P371 A377	R280-W373 PolarHBondContact NH2-O 3.2Å; Y335-W373 PolarHBondContact OH-O 2.88Å; I361-W373 HydrophobicContact CB-CZ3 4.37Å; I361-W373 HydrophobicContact CG2-CE3 3.92Å; I361-W373 HydrophobicContact CG2-CH2 4.11Å; I361-W373 HydrophobicContact CG2-CZ3 3.63Å; W369-W373 HydrophobicContact CD2-CE3 4.47Å; W369-W373 AromaticContact CE3-CE3 3.7Å; W369-W373 HydrophobicContact CE3-CE3 3.7Å; W369-W373 AromaticContact CE3-CZ3 3.99Å; W369-W373 HydrophobicContact CE3-CZ3 3.99Å; W369-W373 HydrophobicContact CH2-CB 4.37Å; W369-W373 HydrophobicContact CH2-CE3 4.45Å; W369-W373 AromaticContact CZ3-CE3 3.71Å; W369-W373 HydrophobicContact CZ3-CE3 3.71Å; W369-W373 HydrophobicContact CZ3-CZ3 4.37Å; N370-W373 HydrophobicContact CB-CD2 3.73Å; N370-W373 HydrophobicContact CB-CE3 3.99Å; N370-W373 HydrophobicContact CB-CG 4.17Å; N370-W373 HydrophobicContact CB-CH2 4.3Å; N370-W373 HydrophobicContact CB-CZ2 4.06Å; N370-W373 HydrophobicContact CB-CZ3 4.25Å; N370-W373 WeakPolarHBondContact O-CB 3.46Å; N370-W373 PolarHBondContact O-N 3.28Å; P371-W373 VanDerWaalsContact C-N 3.31Å; W373-A377 HydrophobicContact CB-CB 4.35Å
374	S	94.8	Very high	94.5	Very high	11 Å²	11	47.6 Å²	47.6	8%	0.077	28%	0.283	C	S	.	.			trans	-91.3	161.6	176.7	64.6	0	0	0	0	110.9	D284 A372 G376 A377 I378	D284-S374 WeakPolarHBondContact OD1-CB 3.49Å; D284-S374 VanDerWaalsContact OD2-CA 3.31Å; D284-S374 WeakPolarHBondContact OD2-CA 3.34Å; A372-S374 PolarHBondContact O-N 2.77Å; S374-G376 PolarHBondContact O-N 3.36Å; S374-A377 WeakPolarHBondContact O-CA 3.47Å; S374-A377 WeakPolarHBondContact O-CB 3.44Å; S374-A377 PolarHBondContact O-N 2.85Å; S374-A377 PolarHBondContact OG-N 2.82Å; S374-I378 WeakPolarHBondContact O-CG1 2.92Å; S374-I378 PolarHBondContact O-N 2.94Å
375	V	96	Very high	94.4	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-49.4	-40.2	169.5	-179.4	0	0	0	0	111.6	L281 D284 W308 L329 F331 A377 I378 L379	L281-V375 HydrophobicContact CD2-CG2 4.03Å; D284-V375 HydrophobicContact CB-CB 4.12Å; D284-V375 HydrophobicContact CB-CG2 3.68Å; D284-V375 PolarHBondContact OD2-N 3.25Å; W308-V375 HydrophobicContact CD2-CG1 4.46Å; W308-V375 HydrophobicContact CE3-CG1 3.93Å; W308-V375 HydrophobicContact CH2-CG1 4.43Å; W308-V375 HydrophobicContact CH2-CG2 4.25Å; W308-V375 HydrophobicContact CZ2-CG2 4.33Å; W308-V375 HydrophobicContact CZ3-CB 4.49Å; W308-V375 HydrophobicContact CZ3-CG1 3.91Å; L329-V375 HydrophobicContact CD1-CG1 4.05Å; F331-V375 HydrophobicContact CE1-CG2 4.24Å; F331-V375 HydrophobicContact CE2-CG2 4.32Å; F331-V375 HydrophobicContact CZ-CG1 4.37Å; F331-V375 HydrophobicContact CZ-CG2 3.63Å; V375-A377 PolarHBondContact O-N 2.95Å; V375-I378 WeakPolarHBondContact O-CB 3.33Å; V375-I378 PolarHBondContact O-N 2.76Å; V375-L379 HydrophobicContact CG1-CD1 4.03Å; V375-L379 HydrophobicContact CG1-CG 4.39Å; V375-L379 VanDerWaalsContact O-CG 3.27Å; V375-L379 WeakPolarHBondContact O-CG 3.44Å; V375-L379 PolarHBondContact O-N 3.34Å
376	G	95.4	Very high	94.4	Very high	11 Å²	11	42.4 Å²	42.4	11%	0.113	26%	0.259	C	S	.	.	H	α-helix	trans	-59	-46.1	174.4	0	0	0	0	0	113.2	V293 S374 I378 L379 T380	V293-G376 WeakPolarHBondContact CG2-O 3.2Å; S374-G376 PolarHBondContact O-N 3.36Å; G376-I378 VanDerWaalsContact C-N 3.32Å; G376-I378 PolarHBondContact O-N 2.78Å; G376-L379 PolarHBondContact O-N 2.9Å; G376-T380 PolarHBondContact O-N 2.87Å; G376-T380 PolarHBondContact O-OG1 3.43Å
377	A	95.5	Very high	94.4	Very high	39 Å²	39	42.8 Å²	42.8	32%	0.322	26%	0.257	S	S	.	.	H	α-helix	trans	-63.7	-36.7	177.2	0	0	0	0	0	112.6	W373 S374 V375 T380 G381	W373-A377 HydrophobicContact CB-CB 4.35Å; S374-A377 WeakPolarHBondContact O-CA 3.47Å; S374-A377 WeakPolarHBondContact O-CB 3.44Å; S374-A377 PolarHBondContact O-N 2.85Å; S374-A377 PolarHBondContact OG-N 2.82Å; V375-A377 PolarHBondContact O-N 2.95Å; A377-T380 PolarHBondContact O-N 3.45Å; A377-G381 PolarHBondContact O-N 3.19Å
378	I	97.1	Very high	94.3	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	24%	0.238	C	C	.	.	H	α-helix	trans	-63.4	-44.5	175.3	-61	166.1	0	0	0	109.9	L329 F331 P340 I342 I361 W369 S374 V375 G376 G381 L382	L329-I378 HydrophobicContact CD1-CG2 4.22Å; L329-I378 HydrophobicContact CD2-CG2 4.12Å; F331-I378 HydrophobicContact CE1-CD1 4Å; F331-I378 HydrophobicContact CZ-CD1 4.48Å; P340-I378 HydrophobicContact CG-CD1 3.92Å; P340-I378 HydrophobicContact CG-CG2 4.12Å; I342-I378 HydrophobicContact CD1-CG2 4.22Å; I361-I378 HydrophobicContact CD1-CB 4.37Å; I361-I378 HydrophobicContact CD1-CG2 3.94Å; I361-I378 WeakPolarHBondContact CD1-O 3.46Å; W369-I378 HydrophobicContact CH2-CD1 3.73Å; W369-I378 HydrophobicContact CH2-CG1 4.15Å; W369-I378 HydrophobicContact CZ3-CD1 4.29Å; W369-I378 HydrophobicContact CZ3-CG1 4.33Å; S374-I378 WeakPolarHBondContact O-CG1 2.92Å; S374-I378 PolarHBondContact O-N 2.94Å; V375-I378 WeakPolarHBondContact O-CB 3.33Å; V375-I378 PolarHBondContact O-N 2.76Å; G376-I378 VanDerWaalsContact C-N 3.32Å; G376-I378 PolarHBondContact O-N 2.78Å; I378-G381 PolarHBondContact O-N 3.2Å; I378-L382 WeakPolarHBondContact O-CB 3.26Å; I378-L382 PolarHBondContact O-N 2.78Å
379	L	96.4	Very high	93.9	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-66.3	-39.6	177.8	-67.2	169	0	0	0	112.2	L288 V293 V296 A298 Y310 L329 V375 G376 L382 L383	L288-L379 HydrophobicContact CD1-CD1 4.28Å; L288-L379 HydrophobicContact CD2-CD1 3.97Å; V293-L379 HydrophobicContact CG2-CB 4.36Å; V296-L379 HydrophobicContact CG1-CB 4.06Å; V296-L379 HydrophobicContact CG1-CD1 4.18Å; V296-L379 HydrophobicContact CG1-CD2 3.95Å; V296-L379 HydrophobicContact CG1-CG 4.27Å; A298-L379 HydrophobicContact CB-CD1 3.47Å; A298-L379 VanDerWaalsContact CB-CD1 3.47Å; A298-L379 HydrophobicContact CB-CD2 4.28Å; Y310-L379 HydrophobicContact CD1-CD2 3.89Å; Y310-L379 HydrophobicContact CD2-CD2 4.5Å; Y310-L379 HydrophobicContact CG-CD2 3.79Å; L329-L379 HydrophobicContact CD1-CD2 4.04Å; L329-L379 HydrophobicContact CD1-CG 4.46Å; V375-L379 HydrophobicContact CG1-CD1 4.03Å; V375-L379 HydrophobicContact CG1-CG 4.39Å; V375-L379 VanDerWaalsContact O-CG 3.27Å; V375-L379 WeakPolarHBondContact O-CG 3.44Å; V375-L379 PolarHBondContact O-N 3.34Å; G376-L379 PolarHBondContact O-N 2.9Å; L379-L382 PolarHBondContact O-N 3.33Å; L379-L383 WeakPolarHBondContact O-CB 3.34Å; L379-L383 PolarHBondContact O-N 3.19Å
380	T	95.5	Very high	93.4	Very high	72 Å²	72	42.3 Å²	42.3	44%	0.442	26%	0.262	S	S	.	.	H	α-helix	trans	-62.1	-44.5	172.7	-55.9	0	0	0	0	111.4	G376 A377 L382 L383 S384	G376-T380 PolarHBondContact O-N 2.87Å; G376-T380 PolarHBondContact O-OG1 3.43Å; A377-T380 PolarHBondContact O-N 3.45Å; T380-L382 PolarHBondContact O-N 3.05Å; T380-L383 PolarHBondContact O-N 2.87Å; T380-S384 WeakPolarHBondContact O-CB 3.11Å; T380-S384 PolarHBondContact O-N 3.39Å
381	G	94.8	Very high	93	Very high	26 Å²	26	44.6 Å²	44.6	27%	0.268	28%	0.281	S	S	.	.	H	α-helix	trans	-63.7	-39.7	176.6	0	0	0	0	0	112.7	A377 I378 S384 F385	A377-G381 PolarHBondContact O-N 3.19Å; I378-G381 PolarHBondContact O-N 3.2Å; G381-S384 PolarHBondContact O-N 3.23Å; G381-F385 WeakPolarHBondContact O-CB 3.31Å; G381-F385 PolarHBondContact O-N 3.18Å
382	L	95.3	Very high	92.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61.7	-46.5	172.6	172.6	66.8	0	0	0	112	Y310 I342 F351 L357 L359 I378 L379 T380 F385 M386	Y310-L382 HydrophobicContact CD2-CD2 4.09Å; Y310-L382 HydrophobicContact CE1-CD2 3.91Å; Y310-L382 HydrophobicContact CE2-CD2 3.37Å; Y310-L382 VanDerWaalsContact OH-CD2 3.26Å; Y310-L382 WeakPolarHBondContact OH-CD2 3.26Å; I342-L382 HydrophobicContact CG2-CD1 4.03Å; I342-L382 HydrophobicContact CG2-CD2 4.25Å; F351-L382 HydrophobicContact CE2-CD1 4.37Å; L357-L382 HydrophobicContact CD1-CD1 4.35Å; L359-L382 HydrophobicContact CD1-CB 4.37Å; L359-L382 HydrophobicContact CD1-CD1 3.78Å; I378-L382 WeakPolarHBondContact O-CB 3.26Å; I378-L382 PolarHBondContact O-N 2.78Å; L379-L382 PolarHBondContact O-N 3.33Å; T380-L382 PolarHBondContact O-N 3.05Å; L382-F385 PolarHBondContact O-N 3.4Å; L382-M386 WeakPolarHBondContact O-CB 3.48Å; L382-M386 PolarHBondContact O-N 3.28Å
383	L	94.4	Very high	92.1	Very high	20 Å²	20	45.1 Å²	45.1	11%	0.105	27%	0.272	C	S	.	.	H	α-helix	trans	-60.4	-48.3	177.6	174.3	61.4	0	0	0	110.7	V296 V312 P315 L379 T380 F385 M386 L387	V296-L383 HydrophobicContact CG2-CB 4.21Å; V296-L383 HydrophobicContact CG2-CD2 4.1Å; V312-L383 HydrophobicContact CG1-CD1 3.67Å; P315-L383 HydrophobicContact CG-CD1 3.99Å; L379-L383 WeakPolarHBondContact O-CB 3.34Å; L379-L383 PolarHBondContact O-N 3.19Å; T380-L383 PolarHBondContact O-N 2.87Å; L383-F385 VanDerWaalsContact C-N 3.3Å; L383-F385 PolarHBondContact O-N 3.16Å; L383-M386 WeakPolarHBondContact O-CB 3Å; L383-M386 PolarHBondContact O-N 3.32Å; L383-M386 VanDerWaalsContact O-N 3.16Å; L383-L387 WeakPolarHBondContact O-CG 3.48Å; L383-L387 PolarHBondContact O-N 3.42Å
384	S	93.9	Very high	91.5	Very high	63 Å²	63	41.7 Å²	41.7	44%	0.441	26%	0.263	S	S	.	.	H	α-helix	trans	-55.1	-47.4	176.5	-169.5	0	0	0	0	111.2	T380 G381 M386 L387 E388	T380-S384 WeakPolarHBondContact O-CB 3.11Å; T380-S384 PolarHBondContact O-N 3.39Å; G381-S384 PolarHBondContact O-N 3.23Å; S384-M386 VanDerWaalsContact C-N 3.33Å; S384-M386 PolarHBondContact O-N 3Å; S384-L387 PolarHBondContact O-N 3.44Å; S384-E388 PolarHBondContact O-N 3.48Å
385	F	92.2	Very high	91	Very high	33 Å²	33	43.2 Å²	43.2	15%	0.145	27%	0.273	C	S	.	.	H	α-helix	trans	-69.3	-29.7	-179.1	-166.7	-96.6	0	0	0	113.5	F351 L359 G381 L382 L383 L387 E388 S390 T392	F351-F385 AromaticContact CE1-CD1 3.81Å; F351-F385 HydrophobicContact CE1-CD1 3.81Å; F351-F385 AromaticContact CE1-CE1 3.84Å; F351-F385 HydrophobicContact CE1-CE1 3.84Å; F351-F385 AromaticContact CZ-CD1 3.77Å; F351-F385 HydrophobicContact CZ-CD1 3.77Å; F351-F385 HydrophobicContact CZ-CE1 4.29Å; L359-F385 HydrophobicContact CD2-CB 4.15Å; L359-F385 HydrophobicContact CD2-CD1 3.06Å; L359-F385 HydrophobicContact CD2-CD2 4.04Å; L359-F385 HydrophobicContact CD2-CE1 3.26Å; L359-F385 HydrophobicContact CD2-CE2 4.2Å; L359-F385 HydrophobicContact CD2-CG 3.47Å; L359-F385 VanDerWaalsContact CD2-CG 3.47Å; L359-F385 HydrophobicContact CD2-CZ 3.86Å; L359-F385 HydrophobicContact CG-CD1 4.43Å; G381-F385 WeakPolarHBondContact O-CB 3.31Å; G381-F385 PolarHBondContact O-N 3.18Å; L382-F385 PolarHBondContact O-N 3.4Å; L383-F385 VanDerWaalsContact C-N 3.3Å; L383-F385 PolarHBondContact O-N 3.16Å; F385-L387 PolarHBondContact O-N 3.26Å; F385-E388 PolarHBondContact O-N 2.91Å; F385-S390 WeakPolarHBondContact CE2-OG 3.39Å; F385-S390 WeakPolarHBondContact CZ-OG 3.43Å; F385-T392 HydrophobicContact CE1-CG2 3.42Å; F385-T392 VanDerWaalsContact CE1-CG2 3.42Å; F385-T392 HydrophobicContact CZ-CG2 3.42Å; F385-T392 VanDerWaalsContact CZ-CG2 3.42Å
386	M	91.3	Very high	90.3	Very high	3 Å²	3	46 Å²	46	2%	0.015	29%	0.29	C	S	.	.	H	α-helix	trans	-63.3	-32	174	-176.8	165.6	171.9	0	0	111.8	V312 F320 Y325 M344 N348 F351 L382 L383 S384	V312-M386 HydrophobicContact CB-SD 4.49Å; V312-M386 HydrophobicContact CG1-SD 4.08Å; F320-M386 HydrophobicContact CB-CE 4.32Å; F320-M386 HydrophobicContact CD1-CE 3.54Å; F320-M386 HydrophobicContact CD2-CE 4.21Å; F320-M386 HydrophobicContact CD2-CG 4.46Å; F320-M386 HydrophobicContact CE1-CE 3.82Å; F320-M386 HydrophobicContact CE2-CE 4.45Å; F320-M386 HydrophobicContact CE2-CG 4.16Å; F320-M386 WeakPolarHBondContact CE2-O 3.42Å; F320-M386 HydrophobicContact CG-CE 3.75Å; F320-M386 HydrophobicContact CZ-CE 4.27Å; F320-M386 HydrophobicContact CZ-CG 4.29Å; F320-M386 WeakPolarHBondContact CZ-O 3.49Å; Y325-M386 HydrophobicContact CD1-CE 4.21Å; Y325-M386 HydrophobicContact CD2-CE 3.42Å; Y325-M386 VanDerWaalsContact CD2-CE 3.42Å; Y325-M386 HydrophobicContact CD2-SD 4.44Å; Y325-M386 HydrophobicContact CE1-CE 4.33Å; Y325-M386 HydrophobicContact CE2-CE 3.59Å; Y325-M386 HydrophobicContact CG-CE 3.72Å; M344-M386 HydrophobicContact CE-SD 4.22Å; N348-M386 HydrophobicContact CB-CE 4.26Å; F351-M386 HydrophobicContact CE2-CB 3.96Å; F351-M386 HydrophobicContact CE2-CG 4.03Å; F351-M386 HydrophobicContact CE2-SD 4.47Å; F351-M386 HydrophobicContact CZ-CB 4.23Å; L382-M386 WeakPolarHBondContact O-CB 3.48Å; L382-M386 PolarHBondContact O-N 3.28Å; L383-M386 WeakPolarHBondContact O-CB 3Å; L383-M386 PolarHBondContact O-N 3.32Å; L383-M386 VanDerWaalsContact O-N 3.16Å; S384-M386 VanDerWaalsContact C-N 3.33Å; S384-M386 PolarHBondContact O-N 3Å
387	L	90.7	Very high	89.3	Confident	81 Å²	81	51.3 Å²	51.3	42%	0.424	33%	0.326	S	S	.	.	H	α-helix	trans	-81.5	-15	178	-57.8	-178.3	0	0	0	113.4	P315 T318 F320 L383 S384 F385	P315-L387 HydrophobicContact CG-CD1 4.41Å; P315-L387 HydrophobicContact CG-CD2 4.49Å; T318-L387 HydrophobicContact CG2-CD1 4.32Å; T318-L387 HydrophobicContact CG2-CD2 3.64Å; F320-L387 HydrophobicContact CD2-CD2 3.86Å; F320-L387 HydrophobicContact CE2-CD2 4.25Å; L383-L387 WeakPolarHBondContact O-CG 3.48Å; L383-L387 PolarHBondContact O-N 3.42Å; S384-L387 PolarHBondContact O-N 3.44Å; F385-L387 PolarHBondContact O-N 3.26Å
388	E	90.2	Very high	88.2	Confident	93 Å²	93	51.7 Å²	51.7	44%	0.435	32%	0.324	S	S	.	.			trans	-85.6	150.5	176.2	-69.8	176.1	-163.3	0	0	112.6	R350 S384 F385 S390	R350-E388 PolarHBondContact NE-O 2.98Å; R350-E388 PolarHBondContact NH2-O 3.3Å; S384-E388 PolarHBondContact O-N 3.48Å; F385-E388 PolarHBondContact O-N 2.91Å; E388-S390 PolarHBondContact OE2-OG 3.06Å
389	S	84.1	Confident	87.1	Confident	122 Å²	122	55.4 Å²	55.4	85%	0.853	35%	0.347	S	S	*	.			trans	-93.3	11.3	175.8	55.7	0	0	0	0	114.3
390	S	85.1	Confident	85.8	Confident	37 Å²	37	58.9 Å²	58.9	26%	0.259	38%	0.376	S	S	.	.			trans	-66.1	128.9	-176.2	51	0	0	0	0	112.5	R350 F385 E388	R350-S390 PolarHBondContact NH2-O 3.5Å; F385-S390 WeakPolarHBondContact CE2-OG 3.39Å; F385-S390 WeakPolarHBondContact CZ-OG 3.43Å; E388-S390 PolarHBondContact OE2-OG 3.06Å
391	P	85.5	Confident	84.5	Confident	121 Å²	121	59.3 Å²	59.3	79%	0.786	38%	0.382	S	S	*	.			trans	-69.8	136	177.6	28.5	-33.6	0	0	0	110.7
392	T	85.9	Confident	83.5	Confident	33 Å²	33	62.5 Å²	62.5	20%	0.202	39%	0.39	C	S	.	.			trans	-152.7	170	174.8	-169.1	0	0	0	0	111.1	C358 F385 G394 S395	C358-T392 WeakPolarHBondContact CB-OG1 3.45Å; C358-T392 PolarHBondContact O-OG1 2.91Å; F385-T392 HydrophobicContact CE1-CG2 3.42Å; F385-T392 VanDerWaalsContact CE1-CG2 3.42Å; F385-T392 HydrophobicContact CZ-CG2 3.42Å; F385-T392 VanDerWaalsContact CZ-CG2 3.42Å; T392-G394 PolarHBondContact O-N 3.42Å; T392-S395 PolarHBondContact N-OG 3.4Å; T392-S395 WeakPolarHBondContact O-CB 3.47Å; T392-S395 PolarHBondContact O-N 3.19Å; T392-S395 PolarHBondContact O-OG 3.16Å
393	L	85.7	Confident	82.5	Confident	97 Å²	97	63.1 Å²	63.1	51%	0.508	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	125.9	172.5	-174.5	73.3	0	0	0	110.5	C358 F364	C358-L393 HydrophobicContact CB-CB 3.61Å; C358-L393 HydrophobicContact CB-CD2 4.46Å; C358-L393 PolarHBondContact N-O 3.44Å; F364-L393 HydrophobicContact CD1-CD2 4.4Å; F364-L393 HydrophobicContact CE1-CD2 3.53Å; F364-L393 HydrophobicContact CE2-CD2 4.1Å; F364-L393 HydrophobicContact CZ-CD2 3.34Å
394	G	81.4	Confident	81.3	Confident	11 Å²	11	66.4 Å²	66.4	11%	0.113	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.7	3	-175.4	0	0	0	0	0	114.1	F351 M352 T392	F351-G394 CarbonylContact C-O 3.45Å; F351-G394 VanDerWaalsContact CA-O 3.25Å; F351-G394 WeakPolarHBondContact CA-O 3.47Å; M352-G394 PolarHBondContact N-O 3.36Å; T392-G394 PolarHBondContact O-N 3.42Å
395	S	84.9	Confident	80.2	Confident	43 Å²	43	68.7 Å²	68.7	30%	0.301	42%	0.418	S	S	.	.	B	Isolated β-bridge	trans	-75.7	148	170.6	66.7	0	0	0	0	112.4	R350 T392	R350-S395 VanDerWaalsContact O-CA 3.28Å; R350-S395 WeakPolarHBondContact O-CA 3.22Å; T392-S395 PolarHBondContact N-OG 3.4Å; T392-S395 WeakPolarHBondContact O-CB 3.47Å; T392-S395 PolarHBondContact O-N 3.19Å; T392-S395 PolarHBondContact O-OG 3.16Å
396	V	81.9	Confident	79.1	Confident	58 Å²	58	69.5 Å²	69.5	35%	0.352	42%	0.424	S	S	.	.			trans	-114.3	137.4	169.1	-172.6	0	0	0	0	108.3	R350 M352 T398	R350-V396 PolarHBondContact O-N 3.33Å; M352-V396 HydrophobicContact CB-CG2 4.12Å; V396-T398 VanDerWaalsContact CG1-OG1 3.25Å; V396-T398 WeakPolarHBondContact CG1-OG1 3.49Å
397	S	74.5	Confident	77.8	Confident	123 Å²	123	70.6 Å²	70.6	86%	0.86	43%	0.43	S	S	*	.			trans	-87.9	110.1	168.4	55.4	0	0	0	0	108.7
398	T	71.3	Confident	76.3	Confident	48 Å²	48	72.7 Å²	72.7	29%	0.294	44%	0.441	S	S	.	.			trans	-133	146.6	-173.9	-62.3	0	0	0	0	109.7	G349 V396 E402 V403	G349-T398 VanDerWaalsContact O-CB 3.23Å; G349-T398 WeakPolarHBondContact O-CB 3.24Å; G349-T398 PolarHBondContact O-OG1 3.28Å; V396-T398 VanDerWaalsContact CG1-OG1 3.25Å; V396-T398 WeakPolarHBondContact CG1-OG1 3.49Å; T398-E402 HydrophobicContact CG2-CB 3.18Å; T398-E402 HydrophobicContact CG2-CG 4.16Å; T398-E402 VanDerWaalsContact CG2-OE2 3.27Å; T398-E402 WeakPolarHBondContact CG2-OE2 3.4Å; T398-V403 HydrophobicContact CG2-CG2 4.14Å
399	T	74.4	Confident	74.8	Confident	79 Å²	79	71.1 Å²	71.1	49%	0.485	44%	0.44	S	S	.	.			trans	-76.9	154.8	177.2	60.9	0	0	0	0	111.5	S401 E402 V403	T399-S401 PolarHBondContact O-N 2.9Å; T399-S401 VanDerWaalsContact O-N 3.16Å; T399-E402 PolarHBondContact N-OE2 3.42Å; T399-E402 PolarHBondContact O-N 2.74Å; T399-E402 WeakPolarHBondContact OG1-CG 3.5Å; T399-E402 PolarHBondContact OG1-N 3.3Å; T399-E402 PolarHBondContact OG1-OE2 2.68Å; T399-V403 PolarHBondContact O-N 3.33Å
400	A	69.8	Low	73.5	Confident	73 Å²	73	65.3 Å²	65.3	60%	0.603	40%	0.399	S	S	*	.	H	α-helix	trans	-55.7	-33.9	176.4	0	0	0	0	0	112.6	V403 N404	A400-V403 PolarHBondContact O-N 2.67Å; A400-N404 PolarHBondContact O-N 2.92Å; A400-N404 PolarHBondContact O-ND2 3.31Å
401	S	67.4	Low	71.8	Confident	81 Å²	81	67.9 Å²	67.9	57%	0.566	41%	0.406	S	S	*	.	H	α-helix	trans	-63	-40.6	174.9	-55.4	0	0	0	0	112.9	T399 N404 N405	T399-S401 PolarHBondContact O-N 2.9Å; T399-S401 VanDerWaalsContact O-N 3.16Å; S401-N404 PolarHBondContact O-N 3.2Å; S401-N405 VanDerWaalsContact O-CG 3.3Å; S401-N405 PolarHBondContact O-N 2.83Å; S401-N405 PolarHBondContact O-ND2 2.92Å
402	E	73.2	Confident	69.9	Low	94 Å²	94	67 Å²	67	44%	0.439	40%	0.398	S	S	.	.	H	α-helix	trans	-72.2	-37.6	177.5	-73.8	164.7	145.7	0	0	111.7	T398 T399 N404 N405 L406	T398-E402 HydrophobicContact CG2-CB 3.18Å; T398-E402 HydrophobicContact CG2-CG 4.16Å; T398-E402 VanDerWaalsContact CG2-OE2 3.27Å; T398-E402 WeakPolarHBondContact CG2-OE2 3.4Å; T399-E402 PolarHBondContact N-OE2 3.42Å; T399-E402 PolarHBondContact O-N 2.74Å; T399-E402 WeakPolarHBondContact OG1-CG 3.5Å; T399-E402 PolarHBondContact OG1-N 3.3Å; T399-E402 PolarHBondContact OG1-OE2 2.68Å; E402-N404 VanDerWaalsContact C-N 3.3Å; E402-N404 PolarHBondContact O-N 3.46Å; E402-N405 PolarHBondContact O-N 2.79Å; E402-L406 WeakPolarHBondContact O-CG 3.31Å; E402-L406 PolarHBondContact O-N 2.8Å
403	V	74.2	Confident	68.1	Low	12 Å²	12	66.7 Å²	66.7	7%	0.073	40%	0.397	C	S	.	.	H	α-helix	trans	-58.2	-45.1	170.9	178	0	0	0	0	110.2	P319 F320 T398 T399 A400 N405 L406 L407	P319-V403 HydrophobicContact CB-CG1 4.39Å; P319-V403 VanDerWaalsContact O-CG1 3.31Å; P319-V403 WeakPolarHBondContact O-CG1 3.48Å; F320-V403 HydrophobicContact CD1-CG1 4.2Å; F320-V403 HydrophobicContact CE1-CG1 4.25Å; T398-V403 HydrophobicContact CG2-CG2 4.14Å; T399-V403 PolarHBondContact O-N 3.33Å; A400-V403 PolarHBondContact O-N 2.67Å; V403-N405 VanDerWaalsContact C-N 3.33Å; V403-N405 PolarHBondContact O-N 2.88Å; V403-L406 CarbonylContact O-C 3.6Å; V403-L406 PolarHBondContact O-N 3.12Å; V403-L406 VanDerWaalsContact O-N 3.12Å; V403-L407 PolarHBondContact O-N 2.98Å
404	N	69.1	Low	66.1	Low	90 Å²	90	66.7 Å²	66.7	48%	0.481	39%	0.393	S	S	.	.	H	α-helix	trans	-60.6	-38.3	175.4	-76.5	-27.5	0	0	0	113.3	A400 S401 E402 L406 L407	A400-N404 PolarHBondContact O-N 2.92Å; A400-N404 PolarHBondContact O-ND2 3.31Å; S401-N404 PolarHBondContact O-N 3.2Å; E402-N404 VanDerWaalsContact C-N 3.3Å; E402-N404 PolarHBondContact O-N 3.46Å; N404-L406 VanDerWaalsContact C-N 3.34Å; N404-L407 WeakPolarHBondContact O-CB 3.33Å; N404-L407 PolarHBondContact O-N 3.41Å
405	N	70.8	Confident	63.9	Low	110 Å²	110	72.4 Å²	72.4	59%	0.588	42%	0.415	S	S	*	.	H	α-helix	trans	-66.9	-36.7	175.1	-69.6	-26.1	0	0	0	112	S401 E402 V403	S401-N405 VanDerWaalsContact O-CG 3.3Å; S401-N405 PolarHBondContact O-N 2.83Å; S401-N405 PolarHBondContact O-ND2 2.92Å; E402-N405 PolarHBondContact O-N 2.79Å; V403-N405 VanDerWaalsContact C-N 3.33Å; V403-N405 PolarHBondContact O-N 2.88Å
406	L	69.8	Low	62	Low	50 Å²	50	73.2 Å²	73.2	26%	0.262	42%	0.421	S	S	.	.	H	α-helix	trans	-74.4	-26.2	175.9	-64	177	0	0	0	112.7	P347 G349 E402 V403 N404 L408 S409 S410	P347-L406 HydrophobicContact CB-CD1 4.33Å; P347-L406 HydrophobicContact CB-CD2 4.01Å; G349-L406 VanDerWaalsContact N-CD1 3.34Å; E402-L406 WeakPolarHBondContact O-CG 3.31Å; E402-L406 PolarHBondContact O-N 2.8Å; V403-L406 CarbonylContact O-C 3.6Å; V403-L406 PolarHBondContact O-N 3.12Å; V403-L406 VanDerWaalsContact O-N 3.12Å; N404-L406 VanDerWaalsContact C-N 3.34Å; L406-L408 VanDerWaalsContact C-N 3.25Å; L406-L408 PolarHBondContact O-N 2.83Å; L406-S409 PolarHBondContact O-N 3.17Å; L406-S409 VanDerWaalsContact O-N 3.17Å; L406-S409 PolarHBondContact O-OG 3.37Å; L406-S410 PolarHBondContact O-N 3.46Å
407	L	63.2	Low	60.1	Low	26 Å²	26	72.8 Å²	72.8	14%	0.136	42%	0.416	C	S	.	.	H	α-helix	trans	-57	-41.6	173.1	-79.9	174.3	0	0	0	111.4	F320 Y325 V403 N404 S409 S410 F411	F320-L407 WeakPolarHBondContact O-CD2 3.46Å; Y325-L407 WeakPolarHBondContact OH-CD2 3.25Å; V403-L407 PolarHBondContact O-N 2.98Å; N404-L407 WeakPolarHBondContact O-CB 3.33Å; N404-L407 PolarHBondContact O-N 3.41Å; L407-S409 VanDerWaalsContact C-N 3.33Å; L407-S409 PolarHBondContact O-N 3.33Å; L407-S410 CarbonylContact O-C 3.55Å; L407-S410 WeakPolarHBondContact O-CB 3.42Å; L407-S410 PolarHBondContact O-N 3.11Å; L407-S410 VanDerWaalsContact O-N 3.12Å; L407-S410 PolarHBondContact O-OG 3.12Å; L407-F411 PolarHBondContact O-N 3.27Å
408	L	59.3	Low	58.4	Low	126 Å²	126	69.3 Å²	69.3	66%	0.66	39%	0.392	S	S	*	.	H	α-helix	trans	-62.1	-39.3	177.9	-66.5	174.6	0	0	0	112.4	L406 S410 F411 V412	L406-L408 VanDerWaalsContact C-N 3.25Å; L406-L408 PolarHBondContact O-N 2.83Å; L408-S410 VanDerWaalsContact C-N 3.33Å; L408-F411 PolarHBondContact O-N 3.25Å; L408-V412 PolarHBondContact O-N 3.18Å
409	S	58.8	Low	56.7	Low	59 Å²	59	75.3 Å²	75.3	41%	0.413	41%	0.41	S	S	.	.	H	α-helix	trans	-70.9	-31.7	175.8	69.3	0	0	0	0	111.9	L406 L407	L406-S409 PolarHBondContact O-N 3.17Å; L406-S409 VanDerWaalsContact O-N 3.17Å; L406-S409 PolarHBondContact O-OG 3.37Å; L407-S409 VanDerWaalsContact C-N 3.33Å; L407-S409 PolarHBondContact O-N 3.33Å
410	S	57.2	Low	55	Low	0 Å²	0	75 Å²	75	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-68.5	-35	172.1	85.1	0	0	0	0	112.5	G323 F324 L406 L407 L408 V412 S413	G323-S410 VanDerWaalsContact CA-OG 3.26Å; G323-S410 WeakPolarHBondContact CA-OG 3.26Å; F324-S410 PolarHBondContact N-OG 3.07Å; L406-S410 PolarHBondContact O-N 3.46Å; L407-S410 CarbonylContact O-C 3.55Å; L407-S410 WeakPolarHBondContact O-CB 3.42Å; L407-S410 PolarHBondContact O-N 3.11Å; L407-S410 VanDerWaalsContact O-N 3.12Å; L407-S410 PolarHBondContact O-OG 3.12Å; L408-S410 VanDerWaalsContact C-N 3.33Å; S410-V412 PolarHBondContact O-N 2.96Å; S410-S413 WeakPolarHBondContact O-CB 3.47Å; S410-S413 PolarHBondContact O-N 2.95Å; S410-S413 PolarHBondContact O-OG 3.35Å
411	F	49.2	Very low	53.7	Low	91 Å²	91	74 Å²	74	40%	0.399	39%	0.394	S	S	.	.	H	α-helix	trans	-69.3	-30.3	-178.8	-157	-99.8	0	0	0	113	L407 L408 S413 K414 F415	L407-F411 PolarHBondContact O-N 3.27Å; L408-F411 PolarHBondContact O-N 3.25Å; F411-S413 PolarHBondContact O-N 3.4Å; F411-K414 WeakPolarHBondContact O-CA 3.46Å; F411-K414 PolarHBondContact O-N 3.45Å; F411-F415 HydrophobicContact CD1-CD2 4.01Å; F411-F415 AromaticContact CE1-CD2 3.57Å; F411-F415 HydrophobicContact CE1-CD2 3.57Å; F411-F415 AromaticContact CE1-CE2 3.69Å; F411-F415 HydrophobicContact CE1-CE2 3.69Å; F411-F415 HydrophobicContact CZ-CE2 4.47Å; F411-F415 PolarHBondContact O-N 3.4Å
412	V	46.3	Very low	52.2	Low	104 Å²	104	76.8 Å²	76.8	63%	0.63	40%	0.398	S	S	*	.	H	α-helix	trans	-58.1	-28.2	170.5	176.8	0	0	0	0	111.2	L408 S410 K414 F415 S416	L408-V412 PolarHBondContact O-N 3.18Å; S410-V412 PolarHBondContact O-N 2.96Å; V412-K414 PolarHBondContact O-N 3.07Å; V412-F415 PolarHBondContact O-N 2.76Å; V412-S416 PolarHBondContact O-N 2.68Å
413	S	47.1	Very low	50.5	Low	25 Å²	25	77.3 Å²	77.3	18%	0.175	40%	0.4	C	S	.	.	H	α-helix	trans	-60.3	-24.2	171.9	-45.7	0	0	0	0	113.2	S410 F411	S410-S413 WeakPolarHBondContact O-CB 3.47Å; S410-S413 PolarHBondContact O-N 2.95Å; S410-S413 PolarHBondContact O-OG 3.35Å; F411-S413 PolarHBondContact O-N 3.4Å
414	K	43.4	Very low	48.7	Very low	97 Å²	97	81.2 Å²	81.2	42%	0.422	42%	0.417	S	S	.	.	H	α-helix	trans	-97.8	-34.3	176.9	-175.4	162.9	-173.7	177.3	0	114.1	F324 F411 V412 S416 L417 S418	F324-K414 HydrophobicContact CD2-CB 4.25Å; F324-K414 HydrophobicContact CD2-CD 4.16Å; F324-K414 HydrophobicContact CE1-CD 4.23Å; F324-K414 HydrophobicContact CE2-CB 4.31Å; F324-K414 HydrophobicContact CE2-CD 3.42Å; F324-K414 VanDerWaalsContact CE2-CD 3.42Å; F324-K414 HydrophobicContact CE2-CG 4.49Å; F324-K414 HydrophobicContact CZ-CD 3.49Å; F324-K414 VanDerWaalsContact CZ-CD 3.49Å; F411-K414 WeakPolarHBondContact O-CA 3.46Å; F411-K414 PolarHBondContact O-N 3.45Å; V412-K414 PolarHBondContact O-N 3.07Å; K414-S416 VanDerWaalsContact C-N 3.3Å; K414-S416 PolarHBondContact O-N 3.21Å; K414-L417 HydrophobicContact CB-CD1 4.17Å; K414-L417 HydrophobicContact CG-CD1 4.07Å; K414-L417 VanDerWaalsContact O-CA 3.27Å; K414-L417 WeakPolarHBondContact O-CA 3.15Å; K414-L417 WeakPolarHBondContact O-CB 3.47Å; K414-L417 WeakPolarHBondContact O-CG 3.48Å; K414-L417 PolarHBondContact O-N 2.83Å; K414-S418 PolarHBondContact O-N 2.94Å
415	F	35.8	Very low	47.4	Very low	131 Å²	131	81 Å²	81	58%	0.575	42%	0.418	S	S	*	.	H	α-helix	trans	-71.7	-23.1	-179.3	-113.4	-91.6	0	0	0	113.9	F411 V412 L417 S418 Y419	F411-F415 HydrophobicContact CD1-CD2 4.01Å; F411-F415 AromaticContact CE1-CD2 3.57Å; F411-F415 HydrophobicContact CE1-CD2 3.57Å; F411-F415 AromaticContact CE1-CE2 3.69Å; F411-F415 HydrophobicContact CE1-CE2 3.69Å; F411-F415 HydrophobicContact CZ-CE2 4.47Å; F411-F415 PolarHBondContact O-N 3.4Å; V412-F415 PolarHBondContact O-N 2.76Å; F415-L417 PolarHBondContact O-N 3.05Å; F415-S418 PolarHBondContact O-N 3.05Å; F415-S418 PolarHBondContact O-OG 3.18Å; F415-Y419 PolarHBondContact O-N 3.4Å
416	S	44.6	Very low	45.6	Very low	60 Å²	60	85.1 Å²	85.1	42%	0.42	43%	0.425	S	S	.	.	H	α-helix	trans	-59.3	-28.4	162.1	-171.4	0	0	0	0	112	V412 K414 L420	V412-S416 PolarHBondContact O-N 2.68Å; K414-S416 VanDerWaalsContact C-N 3.3Å; K414-S416 PolarHBondContact O-N 3.21Å; S416-L420 WeakPolarHBondContact O-CD1 3.46Å; S416-L420 VanDerWaalsContact O-CG 3.3Å; S416-L420 WeakPolarHBondContact O-CG 3.15Å; S416-L420 PolarHBondContact O-N 3.27Å
417	L	42.3	Very low	43.8	Very low	50 Å²	50	88.8 Å²	88.8	26%	0.262	44%	0.443	S	S	.	.	H	α-helix	trans	-76.1	-33.7	-179.8	-53.9	168.5	0	0	0	114.2	F178 P181 K414 F415 S421	F178-L417 WeakPolarHBondContact O-CD2 3.39Å; P181-L417 HydrophobicContact CG-CD2 3.78Å; K414-L417 HydrophobicContact CB-CD1 4.17Å; K414-L417 HydrophobicContact CG-CD1 4.07Å; K414-L417 VanDerWaalsContact O-CA 3.27Å; K414-L417 WeakPolarHBondContact O-CA 3.15Å; K414-L417 WeakPolarHBondContact O-CB 3.47Å; K414-L417 WeakPolarHBondContact O-CG 3.48Å; K414-L417 PolarHBondContact O-N 2.83Å; F415-L417 PolarHBondContact O-N 3.05Å; L417-S421 PolarHBondContact O-N 3.37Å
418	S	39	Very low	42.3	Very low	49 Å²	49	97.1 Å²	97.1	34%	0.343	47%	0.472	S	S	.	.	H	α-helix	trans	-77.4	-43.3	179.3	55.5	0	0	0	0	111.8	K414 F415 L420 S421 E422	K414-S418 PolarHBondContact O-N 2.94Å; F415-S418 PolarHBondContact O-N 3.05Å; F415-S418 PolarHBondContact O-OG 3.18Å; S418-L420 VanDerWaalsContact C-N 3.3Å; S418-L420 PolarHBondContact O-N 3.26Å; S418-S421 WeakPolarHBondContact O-CB 3.36Å; S418-S421 PolarHBondContact O-N 3.12Å; S418-S421 PolarHBondContact O-OG 2.98Å; S418-E422 PolarHBondContact O-N 3.36Å
419	Y	36.5	Very low	41	Very low	175 Å²	175	99 Å²	99	69%	0.686	48%	0.475	S	S	*	.	H	α-helix	trans	-60.2	-38.5	177.1	-166.9	-105.6	0	0	0	112.2	F415	F415-Y419 PolarHBondContact O-N 3.4Å
420	L	38.8	Very low	39.9	Very low	72 Å²	72	99.7 Å²	99.7	38%	0.377	48%	0.48	S	S	.	.	H	α-helix	trans	-77.7	-19	175.5	-67.7	173.9	0	0	0	113.7	S416 S418 E423 K424	S416-L420 WeakPolarHBondContact O-CD1 3.46Å; S416-L420 VanDerWaalsContact O-CG 3.3Å; S416-L420 WeakPolarHBondContact O-CG 3.15Å; S416-L420 PolarHBondContact O-N 3.27Å; S418-L420 VanDerWaalsContact C-N 3.3Å; S418-L420 PolarHBondContact O-N 3.26Å; L420-E423 PolarHBondContact O-N 2.85Å; L420-K424 PolarHBondContact O-N 3.29Å
421	S	41.8	Very low	38.8	Very low	53 Å²	53	109.7 Å²	109.7	37%	0.371	52%	0.518	S	S	.	.	H	α-helix	trans	-69.9	-36.6	173.8	81.8	0	0	0	0	111.7	L417 S418 E423 K424 V425	L417-S421 PolarHBondContact O-N 3.37Å; S418-S421 WeakPolarHBondContact O-CB 3.36Å; S418-S421 PolarHBondContact O-N 3.12Å; S418-S421 PolarHBondContact O-OG 2.98Å; S421-E423 VanDerWaalsContact C-N 3.3Å; S421-E423 PolarHBondContact O-N 3.18Å; S421-K424 WeakPolarHBondContact O-CB 3.39Å; S421-K424 PolarHBondContact O-N 2.89Å; S421-V425 WeakPolarHBondContact O-CG2 3.46Å; S421-V425 PolarHBondContact O-N 3.45Å
422	E	36.2	Very low	37.8	Very low	138 Å²	138	111.1 Å²	111.1	65%	0.645	53%	0.533	S	S	*	.	H	α-helix	trans	-65	-37	172.8	-68.4	-175.7	178.2	0	0	111.1	S418 V425 R426	S418-E422 PolarHBondContact O-N 3.36Å; E422-V425 PolarHBondContact O-N 3.41Å; E422-R426 WeakPolarHBondContact O-CB 3.28Å; E422-R426 PolarHBondContact O-N 2.99Å
423	E	36.8	Very low	36.9	Very low	105 Å²	105	113 Å²	113	49%	0.491	54%	0.535	S	S	.	.	H	α-helix	trans	-71.4	-34.1	175	-160	155.4	-150.3	0	0	112.6	L420 S421 R426 M427	L420-E423 PolarHBondContact O-N 2.85Å; S421-E423 VanDerWaalsContact C-N 3.3Å; S421-E423 PolarHBondContact O-N 3.18Å; E423-R426 WeakPolarHBondContact O-CB 3.23Å; E423-R426 PolarHBondContact O-N 3.37Å; E423-M427 WeakPolarHBondContact O-CB 3.31Å; E423-M427 WeakPolarHBondContact O-CG 3.03Å; E423-M427 PolarHBondContact O-N 2.8Å
424	K	37.3	Very low	35.9	Very low	95 Å²	95	121.4 Å²	121.4	41%	0.413	57%	0.569	S	S	.	*	H	α-helix	trans	-64.1	-38.4	168.1	-94.2	-179.5	178.5	175.5	0	112.8	F178 L420 S421 R426 R428	F178-K424 VanDerWaalsContact CD1-NZ 3.34Å; F178-K424 HydrophobicContact CE2-CD 4.15Å; F178-K424 HydrophobicContact CZ-CD 4.49Å; L420-K424 PolarHBondContact O-N 3.29Å; S421-K424 WeakPolarHBondContact O-CB 3.39Å; S421-K424 PolarHBondContact O-N 2.89Å; K424-R426 VanDerWaalsContact C-N 3.32Å; K424-R428 WeakPolarHBondContact O-CB 3.45Å; K424-R428 WeakPolarHBondContact O-CG 3.25Å; K424-R428 PolarHBondContact O-N 3.41Å
425	V	41	Very low	35	Very low	84 Å²	84	124.4 Å²	124.4	51%	0.509	59%	0.585	S	S	.	*	H	α-helix	trans	-66.8	-38	173.5	173.2	0	0	0	0	110.2	S421 E422 K429	S421-V425 WeakPolarHBondContact O-CG2 3.46Å; S421-V425 PolarHBondContact O-N 3.45Å; E422-V425 PolarHBondContact O-N 3.41Å; V425-K429 WeakPolarHBondContact O-CG 3.33Å; V425-K429 PolarHBondContact O-N 3.06Å; V425-K429 VanDerWaalsContact O-N 3.12Å
426	R	33.1	Very low	34.4	Very low	197 Å²	197	125.8 Å²	125.8	74%	0.743	60%	0.597	S	S	*	*	H	α-helix	trans	-65.7	-44	174.6	-165.7	171.1	-173.9	147.6	0.8	112.4	E422 E423 K424 K429 S430	E422-R426 WeakPolarHBondContact O-CB 3.28Å; E422-R426 PolarHBondContact O-N 2.99Å; E423-R426 WeakPolarHBondContact O-CB 3.23Å; E423-R426 PolarHBondContact O-N 3.37Å; K424-R426 VanDerWaalsContact C-N 3.32Å; R426-K429 PolarHBondContact O-N 3Å; R426-S430 PolarHBondContact O-N 2.91Å; R426-S430 VanDerWaalsContact O-N 3.09Å; R426-S430 PolarHBondContact O-OG 3.34Å
427	M	31.5	Very low	33.5	Very low	127 Å²	127	128.3 Å²	128.3	63%	0.626	61%	0.614	S	S	*	*	H	α-helix	trans	-72	-32.6	178.7	-78.1	-78.8	-85.3	0	0	113.4	E423 S430 R431	E423-M427 WeakPolarHBondContact O-CB 3.31Å; E423-M427 WeakPolarHBondContact O-CG 3.03Å; E423-M427 PolarHBondContact O-N 2.8Å; M427-S430 WeakPolarHBondContact CA-OG 3.27Å; M427-S430 PolarHBondContact O-OG 3.04Å; M427-R431 WeakPolarHBondContact O-CB 3.33Å; M427-R431 PolarHBondContact O-N 3.42Å
428	R	32.9	Very low	32.6	Very low	202 Å²	202	132.9 Å²	132.9	76%	0.762	64%	0.638	S	S	*	*	H	α-helix	trans	-69.9	-36.8	172.3	-85.3	-178.4	168.9	165.7	-4.4	111.9	K424	K424-R428 WeakPolarHBondContact O-CB 3.45Å; K424-R428 WeakPolarHBondContact O-CG 3.25Å; K424-R428 PolarHBondContact O-N 3.41Å
429	K	32.3	Very low	31.7	Very low	165 Å²	165	136.1 Å²	136.1	72%	0.717	66%	0.659	S	S	*	*	H	α-helix	trans	-70.2	-32.4	175	-75.5	-176.2	177.7	-177.2	0	112.6	V425 R426	V425-K429 WeakPolarHBondContact O-CG 3.33Å; V425-K429 PolarHBondContact O-N 3.06Å; V425-K429 VanDerWaalsContact O-N 3.12Å; R426-K429 PolarHBondContact O-N 3Å
430	S	35.7	Very low	31.4	Very low	73 Å²	73	133 Å²	133	51%	0.51	66%	0.661	S	S	.	*	H	α-helix	trans	-81.6	-11.8	178.1	55.2	0	0	0	0	114.8	R426 M427	R426-S430 PolarHBondContact O-N 2.91Å; R426-S430 VanDerWaalsContact O-N 3.09Å; R426-S430 PolarHBondContact O-OG 3.34Å; M427-S430 WeakPolarHBondContact CA-OG 3.27Å; M427-S430 PolarHBondContact O-OG 3.04Å
431	R	32.6	Very low	30.7	Very low	210 Å²	210	136.9 Å²	136.9	79%	0.792	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.9	9.2	-178.4	-156.9	167.1	168.3	166.9	-1.3	114.8	M427	M427-R431 WeakPolarHBondContact O-CB 3.33Å; M427-R431 PolarHBondContact O-N 3.42Å
432	V	29.2	Very low	29.8	Very low	121 Å²	121	138.8 Å²	138.8	73%	0.733	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.4	16.9	174.2	-171.5	0	0	0	0	112.3
433	Q	26.2	Very low	29.1	Very low	143 Å²	143	141.5 Å²	141.5	67%	0.668	70%	0.704	S	S	*	*			trans	-132.7	66.9	172.4	-132	118	7	0	0	111.2
434	F	26.3	Very low	29.4	Very low	202 Å²	202	141 Å²	141	89%	0.886	71%	0.71	S	S	*	*			trans	-118	80.9	146.2	-88.4	-86.2	0	0	0	106.1
435	E	25.4	Very low	28.6	Very low	160 Å²	160	146 Å²	146	75%	0.748	73%	0.726	S	S	*	*			trans	-59.6	131.9	165.6	-89.5	177.9	141.3	0	0	109.4	S437	E435-S437 PolarHBondContact O-N 3.16Å; E435-S437 VanDerWaalsContact O-N 3.14Å
436	I	22.2	Very low	27.8	Very low	161 Å²	161	152.2 Å²	152.2	83%	0.826	74%	0.741	S	S	*	*			trans	-63.4	103.1	158.8	-63.1	164.1	0	0	0	106.2
437	S	26.2	Very low	27.3	Very low	112 Å²	112	146.8 Å²	146.8	78%	0.783	75%	0.745	S	S	*	*			trans	-122.7	103.2	161.9	176.9	0	0	0	0	108	E435	E435-S437 PolarHBondContact O-N 3.16Å; E435-S437 VanDerWaalsContact O-N 3.14Å
438	L	24.3	Very low	27	Very low	147 Å²	147	147.2 Å²	147.2	77%	0.77	76%	0.759	S	S	*	*			trans	-54	155.6	166.1	-69.4	147.3	0	0	0	110.9
439	C	20	Very low	26.6	Very low	117 Å²	117	148.2 Å²	148.2	79%	0.791	76%	0.763	S	S	*	*			trans	-12.6	157.4	154.3	-68.2	0	0	0	0	117.7
440	P	30.6	Very low	26.3	Very low	110 Å²	110	149.1 Å²	149.1	71%	0.714	77%	0.767	S	S	*	*			cis	-149.3	157.3	37.7	39.5	-17.6	0	0	0	118.9
441	L	23.3	Very low	26	Very low	153 Å²	153	152.2 Å²	152.2	80%	0.801	78%	0.783	S	S	*	*			trans	44	104.6	132.4	-65.2	159.7	0	0	0	119.8
442	S	22.6	Very low	25.9	Very low	92 Å²	92	146.7 Å²	146.7	64%	0.643	78%	0.783	S	S	*	*				64.7	137.7	118.4	67	0	0	0	0	122.7
443	F	22.9	Very low	25.8	Very low	195 Å²	195	149.6 Å²	149.6	86%	0.855	79%	0.793	S	S	*	*			trans	92.5	153.8	150.9	-84.8	-66.7	0	0	0	119.3
444	P	41.1	Very low	25.9	Very low	95 Å²	95	146.8 Å²	146.8	62%	0.617	80%	0.803	S	S	*	*				-129.4	-174	-103.6	46.3	-33.5	0	0	0	115.7
445	R	22.3	Very low	26.4	Very low	200 Å²	200	142.2 Å²	142.2	76%	0.755	80%	0.802	S	S	*	*			trans	101.5	123.5	149.6	-77.4	177.8	-175.8	-133.9	1.9	119.5
446	R	23	Very low	26.3	Very low	215 Å²	215	144.3 Å²	144.3	81%	0.811	81%	0.809	S	S	*	*			trans	66.1	98.2	139.1	-66.4	-176.9	-175.6	-173	0.1	118.4
447	G	22.7	Very low	26.7	Very low	82 Å²	82	144.3 Å²	144.3	85%	0.845	81%	0.81	S	S	*	*				67.3	106.4	118.5	0	0	0	0	0	118.7
448	C	26	Very low	26.9	Very low	136 Å²	136	149.1 Å²	149.1	92%	0.919	82%	0.817	S	S	*	*			trans	-152.9	135.3	136.6	-148.6	0	0	0	0	110.5
449	R	23.6	Very low	27.3	Very low	223 Å²	223	153.2 Å²	153.2	84%	0.842	82%	0.822	S	S	*	*			trans	-87.3	157.3	177.1	-64.4	174	162.5	-171.8	-5.8	109.4
450	K	26.9	Very low	27.5	Very low	184 Å²	184	155.9 Å²	155.9	80%	0.8	83%	0.828	S	S	*	*			trans	93.3	123.1	151	-67.6	-179.9	177.4	-176.7	0	119.8
451	T	28.5	Very low	27.6	Very low	139 Å²	139	159.4 Å²	159.4	85%	0.853	84%	0.835	S	S	*	*			trans	88.4	131.8	134.5	45.9	0	0	0	0	121.4
452	A	30.2	Very low	28.2	Very low	94 Å²	94	167.5 Å²	167.5	78%	0.777	86%	0.855	S	S	*	*			trans	-75	171.9	178.8	0	0	0	0	0	113.4
453	L	28.3	Very low	28.5	Very low	182 Å²	182	171.3 Å²	171.3	95%	0.953	87%	0.865	S	S	*	*			trans	90.7	99.4	165	-128.7	78.5	0	0	0	115.9
454	G	27.8	Very low	28.8	Very low	84 Å²	84	170.1 Å²	170.1	87%	0.866	87%	0.866	S	S	*	*			trans	161.2	57.8	167.7	0	0	0	0	0	115.8
455	A	35.8	Very low	28.1	Very low	106 Å²	106	174.2 Å²	174.2	88%	0.876	88%	0.88	S	S	*	*			trans	-156.8	56.4	163.6	0	0	0	0	0	111
456	F	24.7	Very low	28.4	Very low	204 Å²	204	172.7 Å²	172.7	90%	0.895	89%	0.887	S	S	*	*			trans	-116.8	120.6	159.2	-148.1	-96.6	0	0	0	104.2
457	L	29.1	Very low	28.8	Very low	161 Å²	161	170.1 Å²	170.1	84%	0.843	89%	0.892	S	S	*	*			trans	105.8	84.2	-174	-59.9	165.4	0	0	0	115.3
458	F	31.2	Very low	29.2	Very low	213 Å²	213	175.9 Å²	175.9	93%	0.934	90%	0.895	S	S	*	*				-170.3	83.5	129.1	-123.6	-90.7	0	0	0	111.5
459	R	33.3	Very low	29.4	Very low	233 Å²	233	178.8 Å²	178.8	88%	0.879	89%	0.893	S	S	*	*			trans	178	82.4	143.5	-109.6	179.2	178.6	168.1	1.4	112.2
460	L	23.9	Very low	29.9	Very low	173 Å²	173	175.4 Å²	175.4	91%	0.906	90%	0.897	S	S	*	*			trans	-116.4	86.2	141.7	-104.5	167.3	0	0	0	104.8
461	Q	31.7	Very low	30.1	Very low	183 Å²	183	174.7 Å²	174.7	86%	0.855	91%	0.905	S	S	*	*			trans	168.7	78.7	159.9	-101.3	175.1	-25.4	0	0	110.3
462	R	37	Very low	30.3	Very low	324 Å²	324	177.9 Å²	177.9	100%	1.223	91%	0.91	S	S	*	*				-177.6	0	121.3	-102.1	-171.2	-177.2	-172.3	1.8	108.8

Retrieved 462 of 462 residues in 115.1 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).