A0A3Q0KLI1_SCHMA Loading...

Uncharacterized protein

AlphaFold DB (A0A5K4EMA8), UniProt , Accession A0A3Q0KLI1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 257 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.4	Very low	26.4	Very low	236 Å²	236	168.1 Å²	168.1	100%	1.163	85%	0.846	S	S	*	*				0	107.6	0	-85.1	176.7	176.1	0	0	108.1
2	T	28.1	Very low	26.4	Very low	128 Å²	128	164.8 Å²	164.8	79%	0.785	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-76.9	127.2	168.4	10.9	0	0	0	0	107.9	H4	T2-H4 PolarHBondContact O-N 3.19Å
3	Y	24.8	Very low	26.3	Very low	234 Å²	234	168.7 Å²	168.7	92%	0.918	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-72.3	116	175.5	-79.4	-92.4	0	0	0	108.7
4	H	21.9	Very low	26.2	Very low	162 Å²	162	169.9 Å²	169.9	75%	0.75	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-82	122.1	166.4	-89.3	-86.5	0	0	0	108.8	T2 D6	T2-H4 PolarHBondContact O-N 3.19Å; H4-D6 PolarHBondContact O-N 3.33Å
5	E	27.4	Very low	26.3	Very low	181 Å²	181	167.2 Å²	167.2	85%	0.846	81%	0.814	S	S	*	*			trans	-75	96.2	164.4	-81.9	-178.5	147.4	0	0	108.6	S7	E5-S7 VanDerWaalsContact C-N 3.29Å; E5-S7 PolarHBondContact O-N 2.86Å
6	D	25.6	Very low	26.1	Very low	146 Å²	146	165.4 Å²	165.4	78%	0.781	81%	0.809	S	S	*	*			trans	-71.1	92.7	165.9	-81	-29.3	0	0	0	109.5	H4 S8	H4-D6 PolarHBondContact O-N 3.33Å; D6-S8 PolarHBondContact O-N 2.81Å
7	S	27.8	Very low	26.2	Very low	114 Å²	114	167.8 Å²	167.8	80%	0.797	82%	0.815	S	S	*	*			trans	-74.4	89.7	168.1	-59.3	0	0	0	0	109.1	E5	E5-S7 VanDerWaalsContact C-N 3.29Å; E5-S7 PolarHBondContact O-N 2.86Å
8	S	26.6	Very low	26	Very low	99 Å²	99	165.6 Å²	165.6	69%	0.692	81%	0.813	S	S	*	*			trans	-152	48.4	172.3	57.1	0	0	0	0	114.6	D6	D6-S8 PolarHBondContact O-N 2.81Å
9	E	25.2	Very low	25.8	Very low	194 Å²	194	160.1 Å²	160.1	91%	0.907	80%	0.803	S	S	*	*			trans	-135.1	58.9	158.2	-76.4	-165.7	159.7	0	0	111.3
10	F	25.7	Very low	26.2	Very low	209 Å²	209	160.3 Å²	160.3	92%	0.917	81%	0.806	S	S	*	*			trans	-122.9	55.5	158.7	-104.7	-76.9	0	0	0	109.4
11	I	24.9	Very low	26.3	Very low	146 Å²	146	160.2 Å²	160.2	75%	0.749	81%	0.808	S	S	*	*	S	Bend	trans	-138.8	110.1	167.4	-58.4	-177.6	0	0	0	110.3
12	N	26.4	Very low	26	Very low	129 Å²	129	155.7 Å²	155.7	69%	0.69	79%	0.789	S	S	*	*			trans	69.3	79.8	153	-64.4	-27.9	0	0	0	119.2
13	R	25.2	Very low	26.2	Very low	215 Å²	215	158.9 Å²	158.9	81%	0.811	80%	0.795	S	S	*	*				-121.1	95.2	123.2	-78.9	-168	-173.5	-178.3	3.6	110.1	H15	R13-H15 WeakPolarHBondContact CD-NE2 3.49Å; R13-H15 PolarHBondContact O-N 3.2Å
14	K	24.4	Very low	26.4	Very low	185 Å²	185	151.3 Å²	151.3	80%	0.804	78%	0.776	S	S	*	*			trans	-54.9	82.2	146.6	-76.1	177.7	169	177.8	0	107.3	N16	K14-N16 VanDerWaalsContact C-N 3.35Å; K14-N16 PolarHBondContact O-N 2.93Å
15	H	28	Very low	26.6	Very low	130 Å²	130	151.2 Å²	151.2	60%	0.602	78%	0.781	S	S	*	*			trans	-76.9	101.3	159.6	-95.1	-72.3	0	0	0	106	R13 F17	R13-H15 WeakPolarHBondContact CD-NE2 3.49Å; R13-H15 PolarHBondContact O-N 3.2Å; H15-F17 VanDerWaalsContact C-N 3.34Å; H15-F17 PolarHBondContact O-N 2.69Å
16	N	22.8	Very low	26.5	Very low	138 Å²	138	148.6 Å²	148.6	74%	0.738	77%	0.771	S	S	*	*			trans	-39.8	94.4	162.6	-67	-29.6	0	0	0	110.4	K14 V18	K14-N16 VanDerWaalsContact C-N 3.35Å; K14-N16 PolarHBondContact O-N 2.93Å; N16-V18 HydrophobicContact CB-CG2 4.23Å; N16-V18 PolarHBondContact O-N 3.25Å
17	F	27.9	Very low	26.5	Very low	206 Å²	206	151.7 Å²	151.7	90%	0.904	77%	0.772	S	S	*	*			trans	-87.6	80.6	150.5	-87.9	-83	0	0	0	106.2	H15	H15-F17 VanDerWaalsContact C-N 3.34Å; H15-F17 PolarHBondContact O-N 2.69Å
18	V	23.1	Very low	26.6	Very low	129 Å²	129	150 Å²	150	78%	0.782	76%	0.758	S	S	*	*			trans	-60.4	134.8	159.4	167.5	0	0	0	0	107.4	N16	N16-V18 HydrophobicContact CB-CG2 4.23Å; N16-V18 PolarHBondContact O-N 3.25Å
19	G	22.8	Very low	26.5	Very low	61 Å²	61	151.6 Å²	151.6	63%	0.629	76%	0.758	S	S	*	*			trans	91.2	84.3	160.2	0	0	0	0	0	115
20	L	32.3	Very low	26.5	Very low	164 Å²	164	149.3 Å²	149.3	86%	0.859	74%	0.743	S	S	*	*	S	Bend	trans	-57	143.9	131.9	-76.7	155.8	0	0	0	107.2
21	D	29	Very low	26.4	Very low	158 Å²	158	147.3 Å²	147.3	85%	0.845	73%	0.734	S	S	*	*			trans	88.3	66.2	178.8	-45.1	-28.7	0	0	0	115.3
22	D	26.8	Very low	26.5	Very low	142 Å²	142	146.6 Å²	146.6	76%	0.759	73%	0.731	S	S	*	*			trans	-137.7	121.9	146.1	-134.4	-17.2	0	0	0	108.2	S24	D22-S24 PolarHBondContact O-N 3.31Å
23	E	32.3	Very low	26.4	Very low	194 Å²	194	150.1 Å²	150.1	91%	0.907	74%	0.74	S	S	*	*			trans	-57.4	15.7	-174.1	-95.5	179.6	141.1	0	0	115.6	N25	E23-N25 PolarHBondContact O-N 2.73Å
24	S	27.4	Very low	26.5	Very low	75 Å²	75	143.7 Å²	143.7	52%	0.524	72%	0.721	S	S	.	*			trans	-80.3	58.8	170.7	65	0	0	0	0	111.8	D22 I26	D22-S24 PolarHBondContact O-N 3.31Å; S24-I26 PolarHBondContact O-N 2.92Å
25	N	27.8	Very low	26.4	Very low	161 Å²	161	146.5 Å²	146.5	86%	0.861	73%	0.727	S	S	*	*			trans	-59.8	43.7	147.6	-95	-43.3	0	0	0	110.8	E23 R27	E23-N25 PolarHBondContact O-N 2.73Å; N25-R27 PolarHBondContact O-N 3.24Å
26	I	25.2	Very low	26.4	Very low	125 Å²	125	145.2 Å²	145.2	64%	0.641	72%	0.724	S	S	*	*			trans	-69.6	86.7	172.9	-58.5	170.5	0	0	0	104.3	S24 P28	S24-I26 PolarHBondContact O-N 2.92Å; I26-P28 WeakPolarHBondContact O-CD 3.31Å; I26-P28 VanDerWaalsContact O-N 3.07Å
27	R	25.7	Very low	26.4	Very low	212 Å²	212	143.2 Å²	143.2	80%	0.8	72%	0.721	S	S	*	*			trans	-26.3	119.7	138.8	-75.6	178.7	170.3	-166	-2.5	105.2	N25 L29	N25-R27 PolarHBondContact O-N 3.24Å; R27-L29 PolarHBondContact O-N 3.48Å
28	P	28.3	Very low	26.2	Very low	78 Å²	78	138.6 Å²	138.6	51%	0.506	71%	0.713	S	S	.	*			trans	-55.9	99.4	167	-19	29.7	0	0	0	105	I26 Y30	I26-P28 WeakPolarHBondContact O-CD 3.31Å; I26-P28 VanDerWaalsContact O-N 3.07Å; P28-Y30 HydrophobicContact CB-CD2 4.3Å; P28-Y30 HydrophobicContact CB-CE2 4.06Å; P28-Y30 WeakPolarHBondContact O-CD2 3.39Å; P28-Y30 PolarHBondContact O-N 2.9Å
29	L	24.7	Very low	26.1	Very low	132 Å²	132	142.5 Å²	142.5	69%	0.691	71%	0.714	S	S	*	*			trans	-64	97	161.9	-99.9	104	0	0	0	101	R27 K31	R27-L29 PolarHBondContact O-N 3.48Å; L29-K31 HydrophobicContact CB-CG 4.28Å; L29-K31 PolarHBondContact O-N 2.89Å
30	Y	27	Very low	26.2	Very low	147 Å²	147	147.7 Å²	147.7	58%	0.576	73%	0.726	S	S	*	*			trans	-60.1	80.5	154.6	-70.8	-87.7	0	0	0	104.7	P28 N32	P28-Y30 HydrophobicContact CB-CD2 4.3Å; P28-Y30 HydrophobicContact CB-CE2 4.06Å; P28-Y30 WeakPolarHBondContact O-CD2 3.39Å; P28-Y30 PolarHBondContact O-N 2.9Å; Y30-N32 VanDerWaalsContact C-N 3.3Å; Y30-N32 PolarHBondContact O-N 3.15Å
31	K	22.7	Very low	25.7	Very low	167 Å²	167	145.7 Å²	145.7	73%	0.726	72%	0.721	S	S	*	*			trans	-58	108	166.3	-76	-173.3	177.8	179	0	102.7	L29 K33	L29-K31 HydrophobicContact CB-CG 4.28Å; L29-K31 PolarHBondContact O-N 2.89Å; K31-K33 PolarHBondContact O-N 3.37Å
32	N	26.8	Very low	25.5	Very low	131 Å²	131	140.7 Å²	140.7	70%	0.701	71%	0.707	S	S	*	*			trans	-56	88.1	166.3	-122.6	-15.2	0	0	0	105.4	Y30 I34	Y30-N32 VanDerWaalsContact C-N 3.3Å; Y30-N32 PolarHBondContact O-N 3.15Å; N32-I34 PolarHBondContact O-N 2.77Å; N32-I34 VanDerWaalsContact O-N 3.14Å
33	K	24	Very low	25.8	Very low	203 Å²	203	140.8 Å²	140.8	88%	0.883	72%	0.715	S	S	*	*			trans	-68.2	-7.7	178.8	-98.4	-168.6	177	-176.3	0	111	K31	K31-K33 PolarHBondContact O-N 3.37Å
34	I	27.1	Very low	25.4	Very low	80 Å²	80	136.1 Å²	136.1	41%	0.41	71%	0.71	S	S	.	*			trans	-96.9	95.2	169	-35.7	-179	0	0	0	106.9	N32 N36	N32-I34 PolarHBondContact O-N 2.77Å; N32-I34 VanDerWaalsContact O-N 3.14Å; I34-N36 HydrophobicContact CG2-CB 4.31Å; I34-N36 WeakPolarHBondContact CG2-OD1 3.46Å; I34-N36 PolarHBondContact O-N 2.96Å
35	R	21.8	Very low	25.2	Very low	244 Å²	244	136 Å²	136	92%	0.921	72%	0.72	S	S	*	*			trans	-58.5	76.5	150.7	-91.7	-176.2	170.9	-175.4	-1.6	106.1	S37	R35-S37 PolarHBondContact O-N 3.41Å
36	N	28.2	Very low	25.2	Very low	102 Å²	102	137.1 Å²	137.1	55%	0.545	72%	0.72	S	S	.	*			trans	-73.6	83.5	167.9	-87.6	-23.6	0	0	0	106	I34 C38	I34-N36 HydrophobicContact CG2-CB 4.31Å; I34-N36 WeakPolarHBondContact CG2-OD1 3.46Å; I34-N36 PolarHBondContact O-N 2.96Å; N36-C38 PolarHBondContact O-N 2.78Å
37	S	22.9	Very low	25.2	Very low	97 Å²	97	140 Å²	140	68%	0.678	73%	0.731	S	S	*	*			trans	-58.9	86.3	144.3	64.2	0	0	0	0	106	R35 R39	R35-S37 PolarHBondContact O-N 3.41Å; S37-R39 PolarHBondContact O-N 3.3Å
38	C	24.4	Very low	25.2	Very low	109 Å²	109	136.8 Å²	136.8	74%	0.736	73%	0.73	S	S	*	*			trans	-65.5	72.3	153.6	-92.2	0	0	0	0	106.2	N36 L40	N36-C38 PolarHBondContact O-N 2.78Å; C38-L40 PolarHBondContact O-N 2.68Å
39	R	21.4	Very low	25.1	Very low	211 Å²	211	140.6 Å²	140.6	80%	0.796	75%	0.746	S	S	*	*			trans	-67.8	94.2	152.7	-80.3	-170.6	175.6	-168.8	-0.4	103.9	S37 T41	S37-R39 PolarHBondContact O-N 3.3Å; R39-T41 PolarHBondContact O-N 3.38Å
40	L	25.1	Very low	25.2	Very low	169 Å²	169	137.5 Å²	137.5	89%	0.885	75%	0.746	S	S	*	*			trans	-60.1	77.2	154.7	-75.1	161.5	0	0	0	106	C38 G42	C38-L40 PolarHBondContact O-N 2.68Å; L40-G42 VanDerWaalsContact C-N 3.3Å; L40-G42 PolarHBondContact O-N 3.29Å
41	T	21.6	Very low	25.5	Very low	123 Å²	123	135 Å²	135	76%	0.755	76%	0.755	S	S	*	*			trans	-65.3	104.6	162.6	33.8	0	0	0	0	105.3	R39	R39-T41 PolarHBondContact O-N 3.38Å
42	G	23.8	Very low	25.9	Very low	53 Å²	53	133.4 Å²	133.4	55%	0.546	76%	0.759	S	S	.	*			trans	-52	171.7	166	0	0	0	0	0	111.7	L40 A44	L40-G42 VanDerWaalsContact C-N 3.3Å; L40-G42 PolarHBondContact O-N 3.29Å; G42-A44 PolarHBondContact O-N 2.74Å
43	P	33.7	Very low	26.4	Very low	144 Å²	144	134.9 Å²	134.9	94%	0.935	76%	0.762	S	S	*	*			trans	-76.3	100.8	-150.5	31.4	-33.3	0	0	0	110.4
44	A	24.5	Very low	27	Very low	96 Å²	96	130 Å²	130	79%	0.793	75%	0.746	S	S	*	*			trans	-105.2	131	155.5	0	0	0	0	0	107.1	G42	G42-A44 PolarHBondContact O-N 2.74Å
45	G	22.9	Very low	27.6	Very low	71 Å²	71	129.5 Å²	129.5	73%	0.732	75%	0.749	S	S	*	*			trans	-60.4	158.8	-162.3	0	0	0	0	0	115.7
46	Q	27.3	Very low	28.6	Very low	186 Å²	186	120.3 Å²	120.3	87%	0.869	72%	0.722	S	S	*	*			trans	55.7	106.3	143.6	-64.4	-177.8	-22.3	0	0	118
47	Q	25.5	Very low	29.3	Very low	186 Å²	186	118.5 Å²	118.5	87%	0.869	72%	0.715	S	S	*	*			trans	-179.1	103	130.5	-95.4	160.4	75.2	0	0	107.5
48	N	24.6	Very low	30.4	Very low	144 Å²	144	116 Å²	116	77%	0.77	69%	0.694	S	S	*	*				77.2	119.9	92.5	-83.6	-4.1	0	0	0	114.7
49	N	27.2	Very low	31.4	Very low	157 Å²	157	113.8 Å²	113.8	84%	0.84	67%	0.672	S	S	*	*	S	Bend	trans	57.1	110.1	145.9	-60.2	-13.1	0	0	0	119
50	G	26.6	Very low	32.6	Very low	67 Å²	67	106.1 Å²	106.1	69%	0.691	65%	0.646	S	S	*	*			trans	90.1	68.8	165.4	0	0	0	0	0	112.5	V52	G50-V52 PolarHBondContact O-N 3.3Å
51	A	32.7	Very low	33.8	Very low	94 Å²	94	98.6 Å²	98.6	78%	0.777	61%	0.609	S	S	*	*			trans	-62.1	92.6	161.1	0	0	0	0	0	107.1	H53	A51-H53 VanDerWaalsContact C-N 3.25Å; A51-H53 PolarHBondContact O-N 2.89Å
52	V	32.4	Very low	35.2	Very low	134 Å²	134	92.9 Å²	92.9	81%	0.812	57%	0.574	S	S	*	*			trans	-51.6	102.7	159.9	176.5	0	0	0	0	104.2	G50 D54	G50-V52 PolarHBondContact O-N 3.3Å; V52-D54 VanDerWaalsContact C-N 3.28Å; V52-D54 PolarHBondContact O-N 3.28Å
53	H	35.8	Very low	36.4	Very low	162 Å²	162	91.5 Å²	91.5	75%	0.75	55%	0.554	S	S	*	*			trans	-58.5	100.3	172.3	-101.9	-82.9	0	0	0	105.5	A51 S55	A51-H53 VanDerWaalsContact C-N 3.25Å; A51-H53 PolarHBondContact O-N 2.89Å; H53-S55 PolarHBondContact O-N 3.01Å
54	D	37.7	Very low	37.2	Very low	102 Å²	102	88.2 Å²	88.2	55%	0.545	52%	0.523	S	S	.	.			trans	-71.7	80.6	175.2	-161.9	-6.3	0	0	0	107.7	V52 S56 T57	V52-D54 VanDerWaalsContact C-N 3.28Å; V52-D54 PolarHBondContact O-N 3.28Å; D54-S56 VanDerWaalsContact CG-OG 3.26Å; D54-S56 PolarHBondContact O-N 2.85Å; D54-S56 WeakPolarHBondContact OD1-CB 3.27Å; D54-S56 PolarHBondContact OD1-OG 3.45Å; D54-T57 PolarHBondContact O-N 2.86Å; D54-T57 PolarHBondContact O-OG1 3.21Å
55	S	39.8	Very low	38.5	Very low	68 Å²	68	83.6 Å²	83.6	48%	0.476	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-13.1	-178.3	57.9	0	0	0	0	112.1	H53 T57 D58 F59	H53-S55 PolarHBondContact O-N 3.01Å; S55-T57 PolarHBondContact O-N 2.62Å; S55-D58 PolarHBondContact O-N 2.78Å; S55-F59 WeakPolarHBondContact O-CD2 3.05Å; S55-F59 VanDerWaalsContact O-CE2 3.23Å; S55-F59 WeakPolarHBondContact O-CE2 3.31Å
56	S	41.8	Very low	39.7	Very low	51 Å²	51	81 Å²	81	36%	0.357	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-30.4	175.3	70.3	0	0	0	0	112.9	D54	D54-S56 VanDerWaalsContact CG-OG 3.26Å; D54-S56 PolarHBondContact O-N 2.85Å; D54-S56 WeakPolarHBondContact OD1-CB 3.27Å; D54-S56 PolarHBondContact OD1-OG 3.45Å
57	T	43	Very low	40.7	Very low	64 Å²	64	73.6 Å²	73.6	39%	0.393	43%	0.425	S	S	.	.	G	3₁₀ helix	trans	-80.4	-24.2	179.4	57.6	0	0	0	0	113.4	D54 S55 F59 L60	D54-T57 PolarHBondContact O-N 2.86Å; D54-T57 PolarHBondContact O-OG1 3.21Å; S55-T57 PolarHBondContact O-N 2.62Å; T57-F59 PolarHBondContact O-N 2.81Å; T57-F59 VanDerWaalsContact O-N 3.14Å; T57-L60 HydrophobicContact CG2-CD1 4.29Å; T57-L60 PolarHBondContact O-N 3.48Å
58	D	46	Very low	41.8	Very low	45 Å²	45	65.5 Å²	65.5	24%	0.241	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-69.5	-9.8	-177	-76.8	-34.2	0	0	0	113.7	S55 S179	S55-D58 PolarHBondContact O-N 2.78Å; D58-S179 CarbonylContact O-C 3.44Å; D58-S179 WeakPolarHBondContact O-CB 3.25Å
59	F	46.2	Very low	43	Very low	63 Å²	63	58.9 Å²	58.9	28%	0.276	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-113.3	-5.2	-178.9	-55.7	-94	0	0	0	113.8	S55 T57 G61 Y62 D63	S55-F59 WeakPolarHBondContact O-CD2 3.05Å; S55-F59 VanDerWaalsContact O-CE2 3.23Å; S55-F59 WeakPolarHBondContact O-CE2 3.31Å; T57-F59 PolarHBondContact O-N 2.81Å; T57-F59 VanDerWaalsContact O-N 3.14Å; F59-G61 PolarHBondContact O-N 3.02Å; F59-G61 VanDerWaalsContact O-N 3.15Å; F59-Y62 PolarHBondContact O-N 3.08Å; F59-D63 PolarHBondContact O-N 2.9Å; F59-D63 VanDerWaalsContact O-N 3.08Å
60	L	46.8	Very low	43.9	Very low	50 Å²	50	52.8 Å²	52.8	26%	0.262	32%	0.32	S	S	.	.	H	α-helix	trans	-55.8	-37.2	-176.2	-83.3	162.8	0	0	0	112.6	T57 W64 L118	T57-L60 HydrophobicContact CG2-CD1 4.29Å; T57-L60 PolarHBondContact O-N 3.48Å; L60-W64 PolarHBondContact O-N 3.43Å; L60-L118 HydrophobicContact CD1-CD2 4.01Å
61	G	51	Low	44.8	Very low	10 Å²	10	53.8 Å²	53.8	10%	0.103	31%	0.309	C	S	.	.	H	α-helix	trans	-64.3	-45	175.8	0	0	0	0	0	112.4	F59 D63 W64 I65 L181	F59-G61 PolarHBondContact O-N 3.02Å; F59-G61 VanDerWaalsContact O-N 3.15Å; G61-D63 PolarHBondContact O-N 3.44Å; G61-W64 PolarHBondContact O-N 3.23Å; G61-I65 PolarHBondContact O-N 3.16Å; G61-I65 VanDerWaalsContact O-N 3.15Å; G61-L181 VanDerWaalsContact CA-CD1 3.41Å; G61-L181 WeakPolarHBondContact O-CD1 3.43Å; G61-L181 WeakPolarHBondContact O-CD2 3.32Å
62	Y	49.9	Very low	45.4	Very low	4 Å²	4	52.9 Å²	52.9	2%	0.016	29%	0.289	C	S	.	.	H	α-helix	trans	-66.3	-37.5	-178.2	-75.8	-63.6	0	0	0	112.9	F59 W64 I65 A66 L177 N178 L181 I209 R213	F59-Y62 PolarHBondContact O-N 3.08Å; Y62-W64 PolarHBondContact O-N 3.36Å; Y62-I65 PolarHBondContact O-N 2.71Å; Y62-A66 WeakPolarHBondContact O-CB 3.44Å; Y62-A66 PolarHBondContact O-N 2.68Å; Y62-L177 HydrophobicContact CE1-CB 3.68Å; Y62-L177 HydrophobicContact CE1-CD1 4.37Å; Y62-L177 PolarHBondContact OH-O 3.45Å; Y62-N178 WeakPolarHBondContact CE2-O 3.45Å; Y62-N178 VanDerWaalsContact CZ-C 3.43Å; Y62-N178 WeakPolarHBondContact OH-CA 3.25Å; Y62-N178 PolarHBondContact OH-O 2.94Å; Y62-L181 HydrophobicContact CD1-CD2 3.75Å; Y62-L181 HydrophobicContact CE1-CD2 4.17Å; Y62-L181 HydrophobicContact CG-CD2 4.04Å; Y62-I209 HydrophobicContact CD1-CG2 3.77Å; Y62-I209 HydrophobicContact CE1-CG2 3.83Å; Y62-R213 HydrophobicContact CD1-CB 4.07Å; Y62-R213 HydrophobicContact CD2-CB 3.64Å; Y62-R213 HydrophobicContact CD2-CG 3.88Å; Y62-R213 HydrophobicContact CE1-CB 4.32Å; Y62-R213 HydrophobicContact CE1-CG 4.39Å; Y62-R213 HydrophobicContact CE2-CB 3.82Å; Y62-R213 HydrophobicContact CE2-CG 3.52Å; Y62-R213 HydrophobicContact CG-CB 3.71Å; Y62-R213 HydrophobicContact CG-CG 4.35Å
63	D	48.8	Very low	46	Very low	24 Å²	24	46.9 Å²	46.9	13%	0.128	25%	0.252	C	S	.	.	H	α-helix	trans	-58.8	-38.7	175.6	-76.4	-23	0	0	0	111.2	F59 G61 A66 S67 K215	F59-D63 PolarHBondContact O-N 2.9Å; F59-D63 VanDerWaalsContact O-N 3.08Å; G61-D63 PolarHBondContact O-N 3.44Å; D63-A66 WeakPolarHBondContact O-CB 3.14Å; D63-S67 PolarHBondContact O-N 3.44Å; D63-K215 WeakPolarHBondContact OD1-CD 3.35Å; D63-K215 WeakPolarHBondContact OD2-CE 3.49Å; D63-K215 IonicContact OD2-NZ 2.73Å; D63-K215 PolarHBondContact OD2-NZ 3.46Å
64	W	50.6	Low	46.4	Very low	74 Å²	74	44.6 Å²	44.6	28%	0.28	24%	0.237	S	C	.	.	H	α-helix	trans	-67.8	-44.1	176.5	-179.5	79.2	0	0	0	112.3	L60 G61 Y62 S67 M68 K107 L108 F111 L181	L60-W64 PolarHBondContact O-N 3.43Å; G61-W64 PolarHBondContact O-N 3.23Å; Y62-W64 PolarHBondContact O-N 3.36Å; W64-S67 PolarHBondContact O-N 3.04Å; W64-M68 HydrophobicContact CE3-CE 4.15Å; W64-M68 HydrophobicContact CH2-CE 3.26Å; W64-M68 HydrophobicContact CH2-SD 3.86Å; W64-M68 HydrophobicContact CZ2-CE 4.05Å; W64-M68 HydrophobicContact CZ2-SD 4.22Å; W64-M68 HydrophobicContact CZ3-CE 3.34Å; W64-M68 HydrophobicContact CZ3-SD 4.5Å; W64-M68 PolarHBondContact O-N 3.03Å; W64-K107 HydrophobicContact CH2-CB 4.17Å; W64-K107 VanDerWaalsContact CH2-O 3.23Å; W64-K107 WeakPolarHBondContact CH2-O 3.38Å; W64-L108 HydrophobicContact CE3-CD1 4.38Å; W64-L108 HydrophobicContact CZ3-CB 4.27Å; W64-L108 HydrophobicContact CZ3-CD1 3.71Å; W64-F111 HydrophobicContact CB-CD2 4.38Å; W64-F111 HydrophobicContact CB-CE1 4.4Å; W64-F111 HydrophobicContact CB-CE2 3.77Å; W64-F111 HydrophobicContact CB-CZ 3.78Å; W64-F111 AromaticContact CD1-CD2 3.59Å; W64-F111 AromaticContact CD1-CE2 3.48Å; W64-F111 VanDerWaalsContact CD1-CE2 3.48Å; W64-F111 HydrophobicContact CD2-CB 4.03Å; W64-F111 HydrophobicContact CD2-CD1 4.01Å; W64-F111 AromaticContact CD2-CD2 3.3Å; W64-F111 HydrophobicContact CD2-CD2 3.3Å; W64-F111 HydrophobicContact CD2-CE1 4.32Å; W64-F111 AromaticContact CD2-CE2 3.66Å; W64-F111 HydrophobicContact CD2-CE2 3.66Å; W64-F111 AromaticContact CD2-CG 3.5Å; W64-F111 HydrophobicContact CD2-CG 3.5Å; W64-F111 VanDerWaalsContact CD2-CG 3.5Å; W64-F111 HydrophobicContact CD2-CZ 4.15Å; W64-F111 AromaticContact CE2-CD2 3.33Å; W64-F111 AromaticContact CE2-CG 3.68Å; W64-F111 HydrophobicContact CE3-CB 3.9Å; W64-F111 AromaticContact CE3-CD1 3.75Å; W64-F111 HydrophobicContact CE3-CD1 3.75Å; W64-F111 AromaticContact CE3-CD2 3.89Å; W64-F111 HydrophobicContact CE3-CD2 3.89Å; W64-F111 HydrophobicContact CE3-CE1 4.24Å; W64-F111 HydrophobicContact CE3-CE2 4.36Å; W64-F111 AromaticContact CE3-CG 3.55Å; W64-F111 HydrophobicContact CE3-CG 3.55Å; W64-F111 AromaticContact CG-CD2 3.5Å; W64-F111 HydrophobicContact CG-CD2 3.5Å; W64-F111 HydrophobicContact CG-CE1 4.38Å; W64-F111 AromaticContact CG-CE2 3.32Å; W64-F111 HydrophobicContact CG-CE2 3.32Å; W64-F111 HydrophobicContact CG-CG 4.11Å; W64-F111 AromaticContact CG-CZ 3.81Å; W64-F111 HydrophobicContact CG-CZ 3.81Å; W64-F111 HydrophobicContact CH2-CB 3.44Å; W64-F111 VanDerWaalsContact CH2-CB 3.44Å; W64-F111 HydrophobicContact CH2-CD2 4.48Å; W64-F111 HydrophobicContact CH2-CG 4.03Å; W64-F111 HydrophobicContact CZ2-CB 3.55Å; W64-F111 AromaticContact CZ2-CD2 3.97Å; W64-F111 HydrophobicContact CZ2-CD2 3.97Å; W64-F111 AromaticContact CZ2-CG 3.96Å; W64-F111 HydrophobicContact CZ2-CG 3.96Å; W64-F111 HydrophobicContact CZ3-CB 3.62Å; W64-F111 HydrophobicContact CZ3-CD1 4.17Å; W64-F111 HydrophobicContact CZ3-CD2 4.44Å; W64-F111 AromaticContact CZ3-CG 3.83Å; W64-F111 HydrophobicContact CZ3-CG 3.83Å; W64-F111 AromaticContact NE1-CD2 3.46Å; W64-F111 AromaticContact NE1-CE2 3.88Å; W64-L181 HydrophobicContact CE3-CD1 4.48Å
65	I	52.3	Low	46.4	Very low	0 Å²	0	43 Å²	43	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-64.6	-43.6	175.3	-62.2	-175.4	0	0	0	110.9	G61 Y62 S67 M68 V69 F104 L108 L177 L181 I209 L245	G61-I65 PolarHBondContact O-N 3.16Å; G61-I65 VanDerWaalsContact O-N 3.15Å; Y62-I65 PolarHBondContact O-N 2.71Å; I65-S67 PolarHBondContact O-N 3.15Å; I65-M68 PolarHBondContact O-N 3.36Å; I65-M68 VanDerWaalsContact O-N 3.12Å; I65-V69 HydrophobicContact CG2-CG2 3.88Å; I65-V69 WeakPolarHBondContact O-CB 3.33Å; I65-V69 VanDerWaalsContact O-CG2 3.24Å; I65-V69 WeakPolarHBondContact O-CG2 3.39Å; I65-V69 PolarHBondContact O-N 3.03Å; I65-F104 HydrophobicContact CG2-CE2 3.99Å; I65-F104 HydrophobicContact CG2-CZ 3.69Å; I65-L108 HydrophobicContact CD1-CD1 3.59Å; I65-L108 HydrophobicContact CG1-CD1 3.94Å; I65-L177 HydrophobicContact CD1-CD1 3.12Å; I65-L181 HydrophobicContact CD1-CB 4.1Å; I65-L181 HydrophobicContact CD1-CD1 3.78Å; I65-L181 HydrophobicContact CD1-CD2 3.23Å; I65-L181 HydrophobicContact CD1-CG 3.86Å; I65-L181 HydrophobicContact CG1-CD1 3.88Å; I65-L181 HydrophobicContact CG1-CD2 3.86Å; I65-L181 HydrophobicContact CG1-CG 4.4Å; I65-I209 HydrophobicContact CB-CD1 4.33Å; I65-I209 HydrophobicContact CG2-CD1 3.29Å; I65-L245 HydrophobicContact CG2-CD1 4.15Å
66	A	48.4	Very low	46.6	Very low	16 Å²	16	42.3 Å²	42.3	13%	0.132	22%	0.222	C	C	.	.	H	α-helix	trans	-51.4	-48.5	175.3	0	0	0	0	0	110.5	Y62 D63 V69 D70 L214	Y62-A66 WeakPolarHBondContact O-CB 3.44Å; Y62-A66 PolarHBondContact O-N 2.68Å; D63-A66 WeakPolarHBondContact O-CB 3.14Å; A66-V69 PolarHBondContact O-N 3.29Å; A66-D70 VanDerWaalsContact O-CB 3.25Å; A66-D70 WeakPolarHBondContact O-CB 3.5Å; A66-D70 PolarHBondContact O-N 3.01Å; A66-L214 HydrophobicContact CB-CB 4.35Å; A66-L214 HydrophobicContact CB-CD2 3.4Å; A66-L214 VanDerWaalsContact CB-CD2 3.4Å; A66-L214 HydrophobicContact CB-CG 4.29Å
67	S	47.6	Very low	46.3	Very low	30 Å²	30	41.6 Å²	41.6	21%	0.21	22%	0.217	C	C	.	.	H	α-helix	trans	-66.4	-39.3	-179.7	-177.6	0	0	0	0	112.4	D63 W64 I65 D70 N71	D63-S67 PolarHBondContact O-N 3.44Å; W64-S67 PolarHBondContact O-N 3.04Å; I65-S67 PolarHBondContact O-N 3.15Å; S67-D70 PolarHBondContact O-N 3.2Å; S67-N71 VanDerWaalsContact O-CB 3.26Å; S67-N71 WeakPolarHBondContact O-CB 3.26Å; S67-N71 PolarHBondContact O-N 3.34Å; S67-N71 PolarHBondContact O-ND2 2.96Å; S67-N71 VanDerWaalsContact O-ND2 3.07Å
68	M	49.6	Very low	46.3	Very low	17 Å²	17	44.9 Å²	44.9	8%	0.084	23%	0.226	C	C	.	.	H	α-helix	trans	-67.4	-42.7	176.5	-179.6	171.1	43.5	0	0	111.6	W64 I65 N71 Q72 F104 K107	W64-M68 HydrophobicContact CE3-CE 4.15Å; W64-M68 HydrophobicContact CH2-CE 3.26Å; W64-M68 HydrophobicContact CH2-SD 3.86Å; W64-M68 HydrophobicContact CZ2-CE 4.05Å; W64-M68 HydrophobicContact CZ2-SD 4.22Å; W64-M68 HydrophobicContact CZ3-CE 3.34Å; W64-M68 HydrophobicContact CZ3-SD 4.5Å; W64-M68 PolarHBondContact O-N 3.03Å; I65-M68 PolarHBondContact O-N 3.36Å; I65-M68 VanDerWaalsContact O-N 3.12Å; M68-N71 PolarHBondContact O-N 3.12Å; M68-Q72 WeakPolarHBondContact O-CB 3.3Å; M68-Q72 WeakPolarHBondContact O-CG 3.48Å; M68-Q72 PolarHBondContact O-N 3.42Å; M68-Q72 VanDerWaalsContact O-N 3.08Å; M68-F104 HydrophobicContact CE-CD2 3.24Å; M68-F104 HydrophobicContact CE-CE1 4.48Å; M68-F104 HydrophobicContact CE-CE2 3.1Å; M68-F104 HydrophobicContact CE-CG 4.04Å; M68-F104 HydrophobicContact CE-CZ 3.74Å; M68-F104 HydrophobicContact CG-CD2 4.13Å; M68-F104 HydrophobicContact CG-CE2 4.36Å; M68-F104 HydrophobicContact SD-CD2 3.69Å; M68-F104 HydrophobicContact SD-CE2 4.12Å; M68-F104 HydrophobicContact SD-CG 4.44Å; M68-K107 HydrophobicContact SD-CB 3.77Å; M68-K107 HydrophobicContact SD-CD 3.96Å; M68-K107 HydrophobicContact SD-CG 4.48Å
69	V	49.2	Very low	46	Very low	4 Å²	4	47.7 Å²	47.7	2%	0.024	24%	0.241	C	C	.	.	H	α-helix	trans	-61.8	-46.4	175	175.1	0	0	0	0	110.1	I65 A66 N71 Q72 I73 F104 L220 I243 L245	I65-V69 HydrophobicContact CG2-CG2 3.88Å; I65-V69 WeakPolarHBondContact O-CB 3.33Å; I65-V69 VanDerWaalsContact O-CG2 3.24Å; I65-V69 WeakPolarHBondContact O-CG2 3.39Å; I65-V69 PolarHBondContact O-N 3.03Å; A66-V69 PolarHBondContact O-N 3.29Å; V69-N71 PolarHBondContact O-N 3.41Å; V69-Q72 PolarHBondContact O-N 2.86Å; V69-Q72 VanDerWaalsContact O-N 3.16Å; V69-I73 HydrophobicContact CG1-CD1 3.47Å; V69-I73 VanDerWaalsContact CG1-CD1 3.47Å; V69-I73 HydrophobicContact CG1-CG1 4.18Å; V69-I73 WeakPolarHBondContact O-CB 3.24Å; V69-I73 VanDerWaalsContact O-CG1 3.29Å; V69-I73 WeakPolarHBondContact O-CG1 3.38Å; V69-I73 PolarHBondContact O-N 2.83Å; V69-F104 HydrophobicContact CG2-CE2 4.03Å; V69-L220 HydrophobicContact CG1-CD2 4Å; V69-I243 HydrophobicContact CG1-CG2 4.5Å; V69-L245 HydrophobicContact CB-CD2 4.41Å; V69-L245 HydrophobicContact CG1-CD2 4Å; V69-L245 HydrophobicContact CG2-CD1 3.74Å; V69-L245 HydrophobicContact CG2-CD2 3.48Å; V69-L245 VanDerWaalsContact CG2-CD2 3.48Å; V69-L245 HydrophobicContact CG2-CG 4.19Å
70	D	45.6	Very low	45.7	Very low	30 Å²	30	47.2 Å²	47.2	16%	0.16	24%	0.241	C	C	.	.	H	α-helix	trans	-60.1	-44.8	176.2	-171.4	60.1	0	0	0	112.1	A66 S67 Q72 I73 R74	A66-D70 VanDerWaalsContact O-CB 3.25Å; A66-D70 WeakPolarHBondContact O-CB 3.5Å; A66-D70 PolarHBondContact O-N 3.01Å; S67-D70 PolarHBondContact O-N 3.2Å; D70-Q72 PolarHBondContact O-N 3.14Å; D70-I73 PolarHBondContact O-N 3.29Å; D70-R74 VanDerWaalsContact O-CB 3.24Å; D70-R74 WeakPolarHBondContact O-CB 3.44Å; D70-R74 PolarHBondContact O-N 2.95Å; D70-R74 IonicContact OD2-CZ 3.78Å; D70-R74 IonicContact OD2-NE 3.95Å; D70-R74 IonicContact OD2-NH2 2.78Å; D70-R74 PolarHBondContact OD2-NH2 3.27Å
71	N	45.3	Very low	45.5	Very low	87 Å²	87	48.8 Å²	48.8	47%	0.465	26%	0.256	S	S	.	.	H	α-helix	trans	-63.9	-26.9	177.7	-73.8	-27.7	0	0	0	113.1	S67 M68 V69 P75	S67-N71 VanDerWaalsContact O-CB 3.26Å; S67-N71 WeakPolarHBondContact O-CB 3.26Å; S67-N71 PolarHBondContact O-N 3.34Å; S67-N71 PolarHBondContact O-ND2 2.96Å; S67-N71 VanDerWaalsContact O-ND2 3.07Å; M68-N71 PolarHBondContact O-N 3.12Å; V69-N71 PolarHBondContact O-N 3.41Å; N71-P75 WeakPolarHBondContact O-CD 3.46Å
72	Q	45.6	Very low	45	Very low	76 Å²	76	54 Å²	54	36%	0.355	28%	0.282	S	S	.	.	H	α-helix	trans	-91.6	-31.9	-179.7	-67.2	-68.2	-22.6	0	0	112.6	M68 V69 D70 P75	M68-Q72 WeakPolarHBondContact O-CB 3.3Å; M68-Q72 WeakPolarHBondContact O-CG 3.48Å; M68-Q72 PolarHBondContact O-N 3.42Å; M68-Q72 VanDerWaalsContact O-N 3.08Å; V69-Q72 PolarHBondContact O-N 2.86Å; V69-Q72 VanDerWaalsContact O-N 3.16Å; D70-Q72 PolarHBondContact O-N 3.14Å; Q72-P75 WeakPolarHBondContact O-CD 3.42Å
73	I	45	Very low	44.3	Very low	7 Å²	7	56.5 Å²	56.5	4%	0.036	30%	0.299	C	S	.	.	H	α-helix	trans	-74.6	-33.2	174.3	-69.5	176.7	0	0	0	110.8	V69 D70 I76 C77 L220 S223	V69-I73 HydrophobicContact CG1-CD1 3.47Å; V69-I73 VanDerWaalsContact CG1-CD1 3.47Å; V69-I73 HydrophobicContact CG1-CG1 4.18Å; V69-I73 WeakPolarHBondContact O-CB 3.24Å; V69-I73 VanDerWaalsContact O-CG1 3.29Å; V69-I73 WeakPolarHBondContact O-CG1 3.38Å; V69-I73 PolarHBondContact O-N 2.83Å; D70-I73 PolarHBondContact O-N 3.29Å; I73-I76 CarbonylContact O-C 3.56Å; I73-I76 WeakPolarHBondContact O-CA 3.13Å; I73-I76 WeakPolarHBondContact O-CB 3.37Å; I73-I76 PolarHBondContact O-N 2.86Å; I73-C77 WeakPolarHBondContact CG2-SG 3.29Å; I73-C77 PolarHBondContact O-N 3.46Å; I73-L220 HydrophobicContact CD1-CD2 3.83Å; I73-S223 WeakPolarHBondContact CG2-OG 3.39Å
74	R	44.8	Very low	43.7	Very low	115 Å²	115	64.4 Å²	64.4	43%	0.434	34%	0.335	S	S	.	.	H	α-helix	trans	-56.3	-43.2	-177.5	-170.9	-177.6	-57.6	-155.6	0.8	114.1	D70 K78	D70-R74 VanDerWaalsContact O-CB 3.24Å; D70-R74 WeakPolarHBondContact O-CB 3.44Å; D70-R74 PolarHBondContact O-N 2.95Å; D70-R74 IonicContact OD2-CZ 3.78Å; D70-R74 IonicContact OD2-NE 3.95Å; D70-R74 IonicContact OD2-NH2 2.78Å; D70-R74 PolarHBondContact OD2-NH2 3.27Å; R74-K78 VanDerWaalsContact O-CB 3.27Å; R74-K78 WeakPolarHBondContact O-CB 3.41Å; R74-K78 PolarHBondContact O-N 2.92Å
75	P	37.6	Very low	43	Very low	67 Å²	67	65.5 Å²	65.5	44%	0.435	35%	0.35	S	S	.	.	H	α-helix	trans	-60.9	-42.5	170.3	-22.3	30.1	0	0	0	113.4	N71 Q72 K78 N79	N71-P75 WeakPolarHBondContact O-CD 3.46Å; Q72-P75 WeakPolarHBondContact O-CD 3.42Å; P75-K78 PolarHBondContact O-N 3.38Å; P75-N79 WeakPolarHBondContact O-CB 3.42Å; P75-N79 PolarHBondContact O-N 2.97Å
76	I	42.8	Very low	42.1	Very low	54 Å²	54	73.1 Å²	73.1	28%	0.277	39%	0.39	S	S	.	.	H	α-helix	trans	-62.1	-48.7	178.6	-60.2	172	0	0	0	109.5	I73 K78 N79 I80	I73-I76 CarbonylContact O-C 3.56Å; I73-I76 WeakPolarHBondContact O-CA 3.13Å; I73-I76 WeakPolarHBondContact O-CB 3.37Å; I73-I76 PolarHBondContact O-N 2.86Å; I76-K78 PolarHBondContact O-N 3.42Å; I76-N79 PolarHBondContact O-N 2.85Å; I76-I80 HydrophobicContact CG2-CD1 3.79Å; I76-I80 VanDerWaalsContact O-CG1 3.25Å; I76-I80 WeakPolarHBondContact O-CG1 3.25Å; I76-I80 PolarHBondContact O-N 3.05Å
77	C	36.1	Very low	41.6	Very low	37 Å²	37	76.4 Å²	76.4	25%	0.25	41%	0.405	C	S	.	.	H	α-helix	trans	-63.3	-38.7	175.4	-69.8	0	0	0	0	112.6	I73 N79 I80 S81 S223	I73-C77 WeakPolarHBondContact CG2-SG 3.29Å; I73-C77 PolarHBondContact O-N 3.46Å; C77-N79 VanDerWaalsContact C-N 3.35Å; C77-I80 PolarHBondContact O-N 3.11Å; C77-S81 VanDerWaalsContact O-CB 3.31Å; C77-S81 WeakPolarHBondContact O-CB 3.49Å; C77-S81 PolarHBondContact O-N 2.89Å; C77-S81 PolarHBondContact O-OG 2.8Å; C77-S223 PolarHBondContact SG-OG 3.27Å
78	K	44	Very low	40.9	Very low	132 Å²	132	78.7 Å²	78.7	57%	0.574	42%	0.421	S	S	*	.	H	α-helix	trans	-63	-43.9	176	-169.1	176.6	-178.2	-179.2	0	110.8	R74 P75 I76 S81 N82	R74-K78 VanDerWaalsContact O-CB 3.27Å; R74-K78 WeakPolarHBondContact O-CB 3.41Å; R74-K78 PolarHBondContact O-N 2.92Å; P75-K78 PolarHBondContact O-N 3.38Å; I76-K78 PolarHBondContact O-N 3.42Å; K78-S81 WeakPolarHBondContact CA-OG 3.36Å; K78-S81 PolarHBondContact O-N 2.68Å; K78-S81 PolarHBondContact O-OG 3.49Å; K78-N82 VanDerWaalsContact O-CB 3.31Å; K78-N82 WeakPolarHBondContact O-CB 3.44Å; K78-N82 PolarHBondContact O-N 2.83Å
79	N	38.9	Very low	40.4	Very low	105 Å²	105	83 Å²	83	56%	0.561	46%	0.459	S	S	*	.	H	α-helix	trans	-62.7	-42.5	174.8	-75.3	-9.4	0	0	0	111.3	P75 I76 C77 N82 C83	P75-N79 WeakPolarHBondContact O-CB 3.42Å; P75-N79 PolarHBondContact O-N 2.97Å; I76-N79 PolarHBondContact O-N 2.85Å; C77-N79 VanDerWaalsContact C-N 3.35Å; N79-N82 PolarHBondContact O-N 2.76Å; N79-C83 WeakPolarHBondContact O-CA 3.38Å; N79-C83 WeakPolarHBondContact O-CB 3.34Å; N79-C83 PolarHBondContact O-N 3.28Å; N79-C83 PolarHBondContact O-SG 3.29Å
80	I	39.2	Very low	39.5	Very low	52 Å²	52	89.9 Å²	89.9	27%	0.267	50%	0.496	S	S	.	.	H	α-helix	trans	-69	-38.5	177	-62	162.9	0	0	0	111.7	I76 C77 C83 V226	I76-I80 HydrophobicContact CG2-CD1 3.79Å; I76-I80 VanDerWaalsContact O-CG1 3.25Å; I76-I80 WeakPolarHBondContact O-CG1 3.25Å; I76-I80 PolarHBondContact O-N 3.05Å; C77-I80 PolarHBondContact O-N 3.11Å; I80-C83 CarbonylContact O-C 3.45Å; I80-C83 PolarHBondContact O-N 2.68Å; I80-C83 VanDerWaalsContact O-O 3.13Å; I80-V226 HydrophobicContact CB-CG1 4.36Å; I80-V226 HydrophobicContact CD1-CG1 3.68Å; I80-V226 HydrophobicContact CG2-CG1 3.64Å
81	S	43.4	Very low	39	Very low	84 Å²	84	94 Å²	94	59%	0.587	51%	0.514	S	S	*	.	H	α-helix	trans	-69.2	-33.7	177.9	67.3	0	0	0	0	112.8	C77 K78	C77-S81 VanDerWaalsContact O-CB 3.31Å; C77-S81 WeakPolarHBondContact O-CB 3.49Å; C77-S81 PolarHBondContact O-N 2.89Å; C77-S81 PolarHBondContact O-OG 2.8Å; K78-S81 WeakPolarHBondContact CA-OG 3.36Å; K78-S81 PolarHBondContact O-N 2.68Å; K78-S81 PolarHBondContact O-OG 3.49Å
82	N	40.5	Very low	38.6	Very low	119 Å²	119	95.4 Å²	95.4	64%	0.636	51%	0.513	S	S	*	.	H	α-helix	trans	-81.8	-29.6	175.2	-75.9	-1	0	0	0	111.7	K78 N79 Q84	K78-N82 VanDerWaalsContact O-CB 3.31Å; K78-N82 WeakPolarHBondContact O-CB 3.44Å; K78-N82 PolarHBondContact O-N 2.83Å; N79-N82 PolarHBondContact O-N 2.76Å; N82-Q84 PolarHBondContact O-N 3.08Å
83	C	34.3	Very low	38.3	Very low	57 Å²	57	93.3 Å²	93.3	39%	0.385	51%	0.506	S	S	.	.			trans	-89.2	79.1	173.2	-68.6	0	0	0	0	110.1	N79 I80 V85	N79-C83 WeakPolarHBondContact O-CA 3.38Å; N79-C83 WeakPolarHBondContact O-CB 3.34Å; N79-C83 PolarHBondContact O-N 3.28Å; N79-C83 PolarHBondContact O-SG 3.29Å; I80-C83 CarbonylContact O-C 3.45Å; I80-C83 PolarHBondContact O-N 2.68Å; I80-C83 VanDerWaalsContact O-O 3.13Å; C83-V85 HydrophobicContact CB-CB 3.9Å; C83-V85 HydrophobicContact CB-CG2 3.73Å; C83-V85 PolarHBondContact O-N 3.3Å
84	Q	36.9	Very low	37.9	Very low	190 Å²	190	96.8 Å²	96.8	89%	0.888	52%	0.524	S	S	*	.			trans	-63.3	26.3	137.5	-81.5	-171.8	-21.1	0	0	111.7	N82 N86	N82-Q84 PolarHBondContact O-N 3.08Å; Q84-N86 PolarHBondContact O-N 2.73Å
85	V	36.6	Very low	37.7	Very low	96 Å²	96	93.9 Å²	93.9	58%	0.582	52%	0.518	S	S	*	.			trans	-71.6	124.2	172.7	179.7	0	0	0	0	105.1	C83 I87	C83-V85 HydrophobicContact CB-CB 3.9Å; C83-V85 HydrophobicContact CB-CG2 3.73Å; C83-V85 PolarHBondContact O-N 3.3Å; V85-I87 PolarHBondContact O-N 3.25Å
86	N	32.4	Very low	37.6	Very low	160 Å²	160	94.3 Å²	94.3	86%	0.856	51%	0.514	S	S	*	.			trans	-50.7	83.1	166	-66.7	-39.7	0	0	0	109.2	Q84 S88	Q84-N86 PolarHBondContact O-N 2.73Å; N86-S88 VanDerWaalsContact C-N 3.32Å; N86-S88 PolarHBondContact O-N 3.22Å
87	I	37.3	Very low	37.3	Very low	85 Å²	85	97.2 Å²	97.2	44%	0.436	53%	0.526	S	S	.	.			trans	-69.7	103.4	166.3	-59.6	174.5	0	0	0	103	V85 A89 H91	V85-I87 PolarHBondContact O-N 3.25Å; I87-A89 PolarHBondContact O-N 3.12Å; I87-H91 HydrophobicContact CG2-CB 3.57Å
88	S	33	Very low	37.4	Very low	78 Å²	78	98.1 Å²	98.1	55%	0.545	53%	0.525	S	S	.	.			trans	-49.5	143.8	176.4	65.9	0	0	0	0	108.5	N86 N90 H91	N86-S88 VanDerWaalsContact C-N 3.32Å; N86-S88 PolarHBondContact O-N 3.22Å; S88-N90 PolarHBondContact O-N 2.93Å; S88-H91 PolarHBondContact O-N 3.09Å
89	A	38.8	Very low	37.3	Very low	107 Å²	107	92.5 Å²	92.5	88%	0.884	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	1.2	-179.7	0	0	0	0	0	114.8	I87	I87-A89 PolarHBondContact O-N 3.12Å
90	N	32	Very low	37.4	Very low	149 Å²	149	92.8 Å²	92.8	80%	0.797	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	-1.5	179.5	-73.7	0.1	0	0	0	114.2	S88 Y92	S88-N90 PolarHBondContact O-N 2.93Å; N90-Y92 VanDerWaalsContact C-N 3.27Å; N90-Y92 PolarHBondContact O-N 2.84Å; N90-Y92 VanDerWaalsContact O-N 3.11Å
91	H	35.2	Very low	37.8	Very low	116 Å²	116	91.1 Å²	91.1	54%	0.537	49%	0.493	S	S	.	.			trans	-85.6	78.6	168.5	-139.7	62.8	0	0	0	108.9	I87 S88 V93	I87-H91 HydrophobicContact CG2-CB 3.57Å; S88-H91 PolarHBondContact O-N 3.09Å; H91-V93 PolarHBondContact O-N 2.61Å
92	Y	36.1	Very low	38	Very low	117 Å²	117	92 Å²	92	46%	0.459	48%	0.484	S	S	.	.			trans	-60	108	161.1	-171.1	-98.6	0	0	0	106.1	N90 D94	N90-Y92 VanDerWaalsContact C-N 3.27Å; N90-Y92 PolarHBondContact O-N 2.84Å; N90-Y92 VanDerWaalsContact O-N 3.11Å; Y92-D94 VanDerWaalsContact C-N 3.26Å; Y92-D94 HydrophobicContact CD1-CB 4.48Å; Y92-D94 PolarHBondContact O-N 3.07Å
93	V	38.6	Very low	38.4	Very low	32 Å²	32	92.3 Å²	92.3	19%	0.194	48%	0.481	C	S	.	.			trans	-65.1	101.5	165.5	173.7	0	0	0	0	103.7	H91 E97 N231	H91-V93 PolarHBondContact O-N 2.61Å; V93-E97 HydrophobicContact CG1-CB 3.69Å; V93-N231 PolarHBondContact O-ND2 2.84Å; V93-N231 VanDerWaalsContact O-ND2 3.08Å
94	D	38.3	Very low	39.3	Very low	80 Å²	80	89.8 Å²	89.8	43%	0.428	46%	0.464	S	S	.	.			trans	-51.9	144.3	178.9	-154.8	-4.5	0	0	0	107.9	Y92 E96 E97	Y92-D94 VanDerWaalsContact C-N 3.26Å; Y92-D94 HydrophobicContact CD1-CB 4.48Å; Y92-D94 PolarHBondContact O-N 3.07Å; D94-E96 HydrophobicContact CB-CB 4.04Å; D94-E96 HydrophobicContact CB-CG 4.4Å; D94-E96 PolarHBondContact O-N 3.08Å; D94-E97 PolarHBondContact O-N 3.16Å
95	D	40.6	Very low	40	Very low	55 Å²	55	81.2 Å²	81.2	29%	0.294	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-15.5	176.3	-71.7	-45.2	0	0	0	110.5	Y227	D95-Y227 PolarHBondContact OD1-OH 3.19Å
96	E	33.6	Very low	40.9	Very low	76 Å²	76	80.4 Å²	80.4	36%	0.355	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-28.6	169.6	-60.7	-87.8	154	0	0	115.4	D94 H248	D94-E96 HydrophobicContact CB-CB 4.04Å; D94-E96 HydrophobicContact CB-CG 4.4Å; D94-E96 PolarHBondContact O-N 3.08Å; E96-H248 WeakPolarHBondContact CA-NE2 2.98Å; E96-H248 IonicContact OE1-CE1 3.12Å; E96-H248 PolarHBondContact OE1-CE1 2.89Å; E96-H248 IonicContact OE1-ND1 3.66Å; E96-H248 PolarHBondContact OE1-ND1 3.05Å; E96-H248 IonicContact OE2-CE1 2.88Å; E96-H248 PolarHBondContact OE2-CE1 2.93Å; E96-H248 VanDerWaalsContact OE2-CE1 3.27Å; E96-H248 IonicContact OE2-CG 3.94Å; E96-H248 IonicContact OE2-ND1 3.01Å; E96-H248 PolarHBondContact OE2-ND1 2.82Å; E96-H248 IonicContact OE2-NE2 2.94Å
97	E	36.6	Very low	42.2	Very low	115 Å²	115	76.4 Å²	76.4	54%	0.537	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-26.2	-179.1	-85.9	-167.3	155.9	0	0	112.6	V93 D94 L99	V93-E97 HydrophobicContact CG1-CB 3.69Å; D94-E97 PolarHBondContact O-N 3.16Å; E97-L99 PolarHBondContact O-N 3.31Å
98	W	38.4	Very low	43.3	Very low	56 Å²	56	72.3 Å²	72.3	21%	0.212	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	96.7	176.2	-116.4	56.6	0	0	0	110.8	Y227	W98-Y227 AromaticContact CD2-CD2 3.97Å; W98-Y227 HydrophobicContact CD2-CD2 3.97Å; W98-Y227 HydrophobicContact CD2-CE2 4.14Å; W98-Y227 AromaticContact CE2-CD2 3.73Å; W98-Y227 HydrophobicContact CE3-CD2 4.48Å; W98-Y227 HydrophobicContact CG-CD2 4.29Å; W98-Y227 HydrophobicContact CG-CE2 4.11Å; W98-Y227 HydrophobicContact CZ2-CD2 4.06Å; W98-Y227 HydrophobicContact CZ2-CG 4.39Å; W98-Y227 AromaticContact NE1-CD2 3.9Å
99	L	41.6	Very low	44.3	Very low	13 Å²	13	69.7 Å²	69.7	7%	0.068	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.8	62.7	175.2	-50.4	171.4	0	0	0	112.2	E97 Q101 L245	E97-L99 PolarHBondContact O-N 3.31Å; L99-Q101 HydrophobicContact CB-CB 3.97Å; L99-Q101 HydrophobicContact CB-CG 3.68Å; L99-Q101 HydrophobicContact CD2-CG 4.08Å; L99-Q101 HydrophobicContact CG-CG 4.41Å; L99-Q101 WeakPolarHBondContact O-CB 3.48Å; L99-Q101 PolarHBondContact O-N 3.29Å; L99-L245 HydrophobicContact CD1-CB 4.48Å; L99-L245 HydrophobicContact CD1-CD2 3.46Å; L99-L245 VanDerWaalsContact CD1-CD2 3.46Å
100	N	41.1	Very low	45.2	Very low	111 Å²	111	66.7 Å²	66.7	59%	0.594	33%	0.325	S	S	*	.			trans	-64.9	73.2	155.5	-162.3	-14.3	0	0	0	109.3	R102	N100-R102 PolarHBondContact O-N 3.03Å
101	Q	48.4	Very low	46.4	Very low	17 Å²	17	60.9 Å²	60.9	8%	0.079	29%	0.293	C	S	.	.			trans	-106.8	48.5	-158.3	-103.2	-165.8	2	0	0	110.2	L99 E103 F104 F105	L99-Q101 HydrophobicContact CB-CB 3.97Å; L99-Q101 HydrophobicContact CB-CG 3.68Å; L99-Q101 HydrophobicContact CD2-CG 4.08Å; L99-Q101 HydrophobicContact CG-CG 4.41Å; L99-Q101 WeakPolarHBondContact O-CB 3.48Å; L99-Q101 PolarHBondContact O-N 3.29Å; Q101-E103 PolarHBondContact O-N 3.45Å; Q101-F104 HydrophobicContact CB-CB 3.55Å; Q101-F104 HydrophobicContact CB-CG 4.49Å; Q101-F104 HydrophobicContact CG-CB 3.85Å; Q101-F104 VanDerWaalsContact O-CB 3.27Å; Q101-F104 WeakPolarHBondContact O-CB 3.16Å; Q101-F104 PolarHBondContact O-N 3.35Å; Q101-F104 VanDerWaalsContact OE1-CB 3.26Å; Q101-F104 VanDerWaalsContact OE1-CG 3.26Å; Q101-F105 PolarHBondContact O-N 2.98Å
102	R	46.8	Very low	47.3	Very low	103 Å²	103	56.2 Å²	56.2	39%	0.389	27%	0.27	S	S	.	.	H	α-helix	trans	-46.8	-44.7	169.5	-171.3	179.3	-173.7	-175.8	5.9	111	N100 F104 F105 D106 I154	N100-R102 PolarHBondContact O-N 3.03Å; R102-F104 VanDerWaalsContact C-N 3.35Å; R102-F104 PolarHBondContact O-N 2.85Å; R102-F105 PolarHBondContact O-N 3.41Å; R102-D106 PolarHBondContact O-N 2.75Å; R102-I154 HydrophobicContact CG-CB 4.23Å; R102-I154 HydrophobicContact CG-CD1 4.22Å; R102-I154 HydrophobicContact CG-CG2 4.2Å; R102-I154 PolarHBondContact NE-O 2.84Å; R102-I154 PolarHBondContact NH2-O 3.12Å
103	E	49.1	Very low	48.2	Very low	126 Å²	126	57.8 Å²	57.8	59%	0.589	28%	0.282	S	S	*	.	H	α-helix	trans	-67.4	-27.4	176.3	-68.2	-168.6	179.3	0	0	114.6	Q101 F105 D106 K107	Q101-E103 PolarHBondContact O-N 3.45Å; E103-F105 VanDerWaalsContact C-N 3.34Å; E103-D106 PolarHBondContact O-N 3.14Å; E103-K107 VanDerWaalsContact O-CB 3.25Å; E103-K107 WeakPolarHBondContact O-CB 3.26Å; E103-K107 WeakPolarHBondContact O-CD 3.47Å; E103-K107 WeakPolarHBondContact O-CG 3.17Å; E103-K107 PolarHBondContact O-N 3.45Å; E103-K107 WeakPolarHBondContact OE2-CE 3.24Å; E103-K107 IonicContact OE2-NZ 2.7Å; E103-K107 PolarHBondContact OE2-NZ 3.23Å
104	F	54.1	Low	48.9	Very low	4 Å²	4	61.8 Å²	61.8	2%	0.018	31%	0.307	C	S	.	.	H	α-helix	trans	-64.8	-43.9	179.2	175	-87.9	0	0	0	110.5	I65 M68 V69 Q101 R102 D106 K107 L108 L245	I65-F104 HydrophobicContact CG2-CE2 3.99Å; I65-F104 HydrophobicContact CG2-CZ 3.69Å; M68-F104 HydrophobicContact CE-CD2 3.24Å; M68-F104 HydrophobicContact CE-CE1 4.48Å; M68-F104 HydrophobicContact CE-CE2 3.1Å; M68-F104 HydrophobicContact CE-CG 4.04Å; M68-F104 HydrophobicContact CE-CZ 3.74Å; M68-F104 HydrophobicContact CG-CD2 4.13Å; M68-F104 HydrophobicContact CG-CE2 4.36Å; M68-F104 HydrophobicContact SD-CD2 3.69Å; M68-F104 HydrophobicContact SD-CE2 4.12Å; M68-F104 HydrophobicContact SD-CG 4.44Å; V69-F104 HydrophobicContact CG2-CE2 4.03Å; Q101-F104 HydrophobicContact CB-CB 3.55Å; Q101-F104 HydrophobicContact CB-CG 4.49Å; Q101-F104 HydrophobicContact CG-CB 3.85Å; Q101-F104 VanDerWaalsContact O-CB 3.27Å; Q101-F104 WeakPolarHBondContact O-CB 3.16Å; Q101-F104 PolarHBondContact O-N 3.35Å; Q101-F104 VanDerWaalsContact OE1-CB 3.26Å; Q101-F104 VanDerWaalsContact OE1-CG 3.26Å; R102-F104 VanDerWaalsContact C-N 3.35Å; R102-F104 PolarHBondContact O-N 2.85Å; F104-D106 VanDerWaalsContact C-N 3.33Å; F104-K107 CarbonylContact O-C 3.52Å; F104-K107 PolarHBondContact O-N 3.46Å; F104-L108 HydrophobicContact CE1-CB 4.38Å; F104-L108 HydrophobicContact CE1-CD2 4.1Å; F104-L108 WeakPolarHBondContact O-CB 3.46Å; F104-L108 PolarHBondContact O-N 2.77Å; F104-L245 HydrophobicContact CD2-CD1 4.45Å; F104-L245 HydrophobicContact CE1-CD1 3.74Å; F104-L245 HydrophobicContact CE2-CD1 3.53Å; F104-L245 HydrophobicContact CZ-CD1 3.16Å
105	F	52.4	Low	49.6	Very low	10 Å²	10	60.2 Å²	60.2	4%	0.044	30%	0.299	C	S	.	.	H	α-helix	trans	-65.8	-39.9	178.3	-78.1	-84.9	0	0	0	111.3	Q101 R102 E103 L108 N109 L151 I154 L205 I207	Q101-F105 PolarHBondContact O-N 2.98Å; R102-F105 PolarHBondContact O-N 3.41Å; E103-F105 VanDerWaalsContact C-N 3.34Å; F105-L108 PolarHBondContact O-N 2.74Å; F105-N109 VanDerWaalsContact O-CB 3.3Å; F105-N109 WeakPolarHBondContact O-CB 3.33Å; F105-N109 PolarHBondContact O-N 2.71Å; F105-L151 HydrophobicContact CD1-CD1 4.02Å; F105-I154 HydrophobicContact CB-CD1 3.9Å; F105-I154 HydrophobicContact CD2-CD1 4.03Å; F105-I154 HydrophobicContact CG-CD1 4.11Å; F105-L205 HydrophobicContact CE1-CD1 4.25Å; F105-L205 HydrophobicContact CZ-CB 4.29Å; F105-L205 HydrophobicContact CZ-CD1 4.32Å; F105-I207 HydrophobicContact CE1-CD1 3.41Å; F105-I207 VanDerWaalsContact CE1-CD1 3.41Å; F105-I207 HydrophobicContact CE1-CG1 4.45Å; F105-I207 HydrophobicContact CZ-CD1 3.54Å; F105-I207 HydrophobicContact CZ-CG1 4.24Å
106	D	54.9	Low	50.1	Low	79 Å²	79	59.3 Å²	59.3	42%	0.422	30%	0.296	S	S	.	.	H	α-helix	trans	-64.6	-43.3	173.9	-69	-26.3	0	0	0	111.5	R102 E103 F104 N109 A110	R102-D106 PolarHBondContact O-N 2.75Å; E103-D106 PolarHBondContact O-N 3.14Å; F104-D106 VanDerWaalsContact C-N 3.33Å; D106-N109 PolarHBondContact O-N 3.35Å; D106-A110 VanDerWaalsContact O-CB 3.28Å; D106-A110 WeakPolarHBondContact O-CB 3.3Å; D106-A110 PolarHBondContact O-N 3.22Å
107	K	59.1	Low	50.9	Low	75 Å²	75	62.4 Å²	62.4	33%	0.326	32%	0.315	S	S	.	.	H	α-helix	trans	-64.5	-40.7	174.6	-74.4	167.7	-170.4	163.7	0	111.6	W64 M68 E103 F104 A110 F111	W64-K107 HydrophobicContact CH2-CB 4.17Å; W64-K107 VanDerWaalsContact CH2-O 3.23Å; W64-K107 WeakPolarHBondContact CH2-O 3.38Å; M68-K107 HydrophobicContact SD-CB 3.77Å; M68-K107 HydrophobicContact SD-CD 3.96Å; M68-K107 HydrophobicContact SD-CG 4.48Å; E103-K107 VanDerWaalsContact O-CB 3.25Å; E103-K107 WeakPolarHBondContact O-CB 3.26Å; E103-K107 WeakPolarHBondContact O-CD 3.47Å; E103-K107 WeakPolarHBondContact O-CG 3.17Å; E103-K107 PolarHBondContact O-N 3.45Å; E103-K107 WeakPolarHBondContact OE2-CE 3.24Å; E103-K107 IonicContact OE2-NZ 2.7Å; E103-K107 PolarHBondContact OE2-NZ 3.23Å; F104-K107 CarbonylContact O-C 3.52Å; F104-K107 PolarHBondContact O-N 3.46Å; K107-A110 PolarHBondContact O-N 3.08Å; K107-F111 WeakPolarHBondContact O-CB 3.33Å; K107-F111 PolarHBondContact O-N 2.98Å
108	L	59.7	Low	51.5	Low	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-64.7	-45.2	177.1	179.5	68.8	0	0	0	110.4	W64 I65 F104 F105 F111 R112 L181	W64-L108 HydrophobicContact CE3-CD1 4.38Å; W64-L108 HydrophobicContact CZ3-CB 4.27Å; W64-L108 HydrophobicContact CZ3-CD1 3.71Å; I65-L108 HydrophobicContact CD1-CD1 3.59Å; I65-L108 HydrophobicContact CG1-CD1 3.94Å; F104-L108 HydrophobicContact CE1-CB 4.38Å; F104-L108 HydrophobicContact CE1-CD2 4.1Å; F104-L108 WeakPolarHBondContact O-CB 3.46Å; F104-L108 PolarHBondContact O-N 2.77Å; F105-L108 PolarHBondContact O-N 2.74Å; L108-F111 PolarHBondContact O-N 2.95Å; L108-R112 VanDerWaalsContact O-CG 3.23Å; L108-R112 WeakPolarHBondContact O-CG 3.46Å; L108-R112 PolarHBondContact O-N 3.19Å; L108-L181 HydrophobicContact CD1-CB 4.3Å; L108-L181 HydrophobicContact CD1-CD1 3.99Å
109	N	54.5	Low	51.8	Low	22 Å²	22	58.4 Å²	58.4	12%	0.118	30%	0.301	C	S	.	.	H	α-helix	trans	-62	-44.8	173.2	-83.8	-23.1	0	0	0	111.4	F105 D106 F111 R112 Q113	F105-N109 VanDerWaalsContact O-CB 3.3Å; F105-N109 WeakPolarHBondContact O-CB 3.33Å; F105-N109 PolarHBondContact O-N 2.71Å; D106-N109 PolarHBondContact O-N 3.35Å; N109-F111 PolarHBondContact O-N 2.9Å; N109-R112 PolarHBondContact O-N 2.69Å; N109-Q113 WeakPolarHBondContact O-CG 3.27Å; N109-Q113 PolarHBondContact O-N 2.89Å
110	A	58.1	Low	51.8	Low	45 Å²	45	59.1 Å²	59.1	37%	0.372	31%	0.308	S	S	.	.	H	α-helix	trans	-59.7	-47.2	176.3	0	0	0	0	0	111	D106 K107 R112 Q113 T114	D106-A110 VanDerWaalsContact O-CB 3.28Å; D106-A110 WeakPolarHBondContact O-CB 3.3Å; D106-A110 PolarHBondContact O-N 3.22Å; K107-A110 PolarHBondContact O-N 3.08Å; A110-R112 VanDerWaalsContact C-N 3.31Å; A110-R112 PolarHBondContact O-N 3.18Å; A110-Q113 PolarHBondContact O-N 2.96Å; A110-Q113 VanDerWaalsContact O-N 3.11Å; A110-T114 PolarHBondContact O-N 3.32Å; A110-T114 PolarHBondContact O-OG1 3.26Å
111	F	57.3	Low	51.5	Low	27 Å²	27	56.9 Å²	56.9	12%	0.118	30%	0.3	C	S	.	.	H	α-helix	trans	-57	-43.9	174.9	177.4	-93.7	0	0	0	111.9	W64 K107 L108 N109 Q113 T114 N115 L181	W64-F111 HydrophobicContact CB-CD2 4.38Å; W64-F111 HydrophobicContact CB-CE1 4.4Å; W64-F111 HydrophobicContact CB-CE2 3.77Å; W64-F111 HydrophobicContact CB-CZ 3.78Å; W64-F111 AromaticContact CD1-CD2 3.59Å; W64-F111 AromaticContact CD1-CE2 3.48Å; W64-F111 VanDerWaalsContact CD1-CE2 3.48Å; W64-F111 HydrophobicContact CD2-CB 4.03Å; W64-F111 HydrophobicContact CD2-CD1 4.01Å; W64-F111 AromaticContact CD2-CD2 3.3Å; W64-F111 HydrophobicContact CD2-CD2 3.3Å; W64-F111 HydrophobicContact CD2-CE1 4.32Å; W64-F111 AromaticContact CD2-CE2 3.66Å; W64-F111 HydrophobicContact CD2-CE2 3.66Å; W64-F111 AromaticContact CD2-CG 3.5Å; W64-F111 HydrophobicContact CD2-CG 3.5Å; W64-F111 VanDerWaalsContact CD2-CG 3.5Å; W64-F111 HydrophobicContact CD2-CZ 4.15Å; W64-F111 AromaticContact CE2-CD2 3.33Å; W64-F111 AromaticContact CE2-CG 3.68Å; W64-F111 HydrophobicContact CE3-CB 3.9Å; W64-F111 AromaticContact CE3-CD1 3.75Å; W64-F111 HydrophobicContact CE3-CD1 3.75Å; W64-F111 AromaticContact CE3-CD2 3.89Å; W64-F111 HydrophobicContact CE3-CD2 3.89Å; W64-F111 HydrophobicContact CE3-CE1 4.24Å; W64-F111 HydrophobicContact CE3-CE2 4.36Å; W64-F111 AromaticContact CE3-CG 3.55Å; W64-F111 HydrophobicContact CE3-CG 3.55Å; W64-F111 AromaticContact CG-CD2 3.5Å; W64-F111 HydrophobicContact CG-CD2 3.5Å; W64-F111 HydrophobicContact CG-CE1 4.38Å; W64-F111 AromaticContact CG-CE2 3.32Å; W64-F111 HydrophobicContact CG-CE2 3.32Å; W64-F111 HydrophobicContact CG-CG 4.11Å; W64-F111 AromaticContact CG-CZ 3.81Å; W64-F111 HydrophobicContact CG-CZ 3.81Å; W64-F111 HydrophobicContact CH2-CB 3.44Å; W64-F111 VanDerWaalsContact CH2-CB 3.44Å; W64-F111 HydrophobicContact CH2-CD2 4.48Å; W64-F111 HydrophobicContact CH2-CG 4.03Å; W64-F111 HydrophobicContact CZ2-CB 3.55Å; W64-F111 AromaticContact CZ2-CD2 3.97Å; W64-F111 HydrophobicContact CZ2-CD2 3.97Å; W64-F111 AromaticContact CZ2-CG 3.96Å; W64-F111 HydrophobicContact CZ2-CG 3.96Å; W64-F111 HydrophobicContact CZ3-CB 3.62Å; W64-F111 HydrophobicContact CZ3-CD1 4.17Å; W64-F111 HydrophobicContact CZ3-CD2 4.44Å; W64-F111 AromaticContact CZ3-CG 3.83Å; W64-F111 HydrophobicContact CZ3-CG 3.83Å; W64-F111 AromaticContact NE1-CD2 3.46Å; W64-F111 AromaticContact NE1-CE2 3.88Å; K107-F111 WeakPolarHBondContact O-CB 3.33Å; K107-F111 PolarHBondContact O-N 2.98Å; L108-F111 PolarHBondContact O-N 2.95Å; N109-F111 PolarHBondContact O-N 2.9Å; F111-Q113 VanDerWaalsContact C-N 3.34Å; F111-Q113 PolarHBondContact O-N 3.21Å; F111-T114 PolarHBondContact O-N 2.77Å; F111-N115 WeakPolarHBondContact CD2-ND2 3.16Å; F111-N115 HydrophobicContact CE1-CB 4.24Å; F111-N115 HydrophobicContact CE2-CB 4.47Å; F111-N115 WeakPolarHBondContact CE2-ND2 3.39Å; F111-N115 HydrophobicContact CZ-CB 4.2Å; F111-N115 WeakPolarHBondContact O-CA 2.96Å; F111-N115 VanDerWaalsContact O-CB 3.23Å; F111-N115 WeakPolarHBondContact O-CB 3.19Å; F111-N115 PolarHBondContact O-N 2.76Å; F111-N115 PolarHBondContact O-ND2 2.74Å; F111-L181 HydrophobicContact CD1-CD1 4.03Å; F111-L181 HydrophobicContact CE1-CD1 3.84Å
112	R	54.4	Low	50.9	Low	17 Å²	17	61.1 Å²	61.1	6%	0.064	32%	0.32	C	S	.	.	H	α-helix	trans	-65.1	-36.3	176.8	-70.8	170.9	72.2	-153.3	6.7	112.7	L108 N109 A110 N115 S116	L108-R112 VanDerWaalsContact O-CG 3.23Å; L108-R112 WeakPolarHBondContact O-CG 3.46Å; L108-R112 PolarHBondContact O-N 3.19Å; N109-R112 PolarHBondContact O-N 2.69Å; A110-R112 VanDerWaalsContact C-N 3.31Å; A110-R112 PolarHBondContact O-N 3.18Å; R112-N115 CarbonylContact O-C 3.49Å; R112-S116 WeakPolarHBondContact O-CA 3.36Å; R112-S116 PolarHBondContact O-N 2.63Å
113	Q	54.7	Low	50.2	Low	150 Å²	150	67.2 Å²	67.2	70%	0.701	34%	0.343	S	S	*	.	H	α-helix	trans	-68.3	-44.6	175.4	-72.6	177.6	8.6	0	0	111.2	N109 A110 F111	N109-Q113 WeakPolarHBondContact O-CG 3.27Å; N109-Q113 PolarHBondContact O-N 2.89Å; A110-Q113 PolarHBondContact O-N 2.96Å; A110-Q113 VanDerWaalsContact O-N 3.11Å; F111-Q113 VanDerWaalsContact C-N 3.34Å; F111-Q113 PolarHBondContact O-N 3.21Å
114	T	54.2	Low	49.2	Very low	116 Å²	116	65.2 Å²	65.2	71%	0.712	34%	0.341	S	S	*	.	H	α-helix	trans	-70.7	-33.6	178.6	-46.6	0	0	0	0	112.4	A110 F111	A110-T114 PolarHBondContact O-N 3.32Å; A110-T114 PolarHBondContact O-OG1 3.26Å; F111-T114 PolarHBondContact O-N 2.77Å
115	N	51.5	Low	48.2	Very low	48 Å²	48	73 Å²	73	26%	0.257	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	36.2	-177.3	-59.7	-85.6	0	0	0	111.5	F111 R112 D117 L118 C119	F111-N115 WeakPolarHBondContact CD2-ND2 3.16Å; F111-N115 HydrophobicContact CE1-CB 4.24Å; F111-N115 HydrophobicContact CE2-CB 4.47Å; F111-N115 WeakPolarHBondContact CE2-ND2 3.39Å; F111-N115 HydrophobicContact CZ-CB 4.2Å; F111-N115 WeakPolarHBondContact O-CA 2.96Å; F111-N115 VanDerWaalsContact O-CB 3.23Å; F111-N115 WeakPolarHBondContact O-CB 3.19Å; F111-N115 PolarHBondContact O-N 2.76Å; F111-N115 PolarHBondContact O-ND2 2.74Å; R112-N115 CarbonylContact O-C 3.49Å; N115-D117 PolarHBondContact O-N 3.35Å; N115-D117 VanDerWaalsContact O-N 3.09Å; N115-L118 HydrophobicContact CB-CB 4.36Å; N115-L118 HydrophobicContact CB-CD1 4.17Å; N115-L118 PolarHBondContact O-N 3.29Å; N115-C119 PolarHBondContact O-N 3.39Å
116	S	51.6	Low	47.1	Very low	35 Å²	35	77.1 Å²	77.1	25%	0.245	41%	0.412	C	S	.	.	H	α-helix	trans	-55.5	-32.5	-176.5	63	0	0	0	0	112.5	R112 L118 C119 C120	R112-S116 WeakPolarHBondContact O-CA 3.36Å; R112-S116 PolarHBondContact O-N 2.63Å; S116-L118 VanDerWaalsContact C-N 3.33Å; S116-L118 PolarHBondContact O-N 2.7Å; S116-C119 PolarHBondContact O-N 3.02Å; S116-C120 WeakPolarHBondContact O-CA 3.09Å; S116-C120 WeakPolarHBondContact O-CB 3.23Å; S116-C120 PolarHBondContact O-N 3.23Å; S116-C120 PolarHBondContact O-SG 3.41Å
117	D	51.3	Low	45.8	Very low	142 Å²	142	79.9 Å²	79.9	76%	0.759	43%	0.426	S	S	*	.	H	α-helix	trans	-69.4	-33.2	-179.6	-60.3	-25.5	0	0	0	112.4	N115	N115-D117 PolarHBondContact O-N 3.35Å; N115-D117 VanDerWaalsContact O-N 3.09Å
118	L	48.7	Very low	44.2	Very low	82 Å²	82	85.6 Å²	85.6	43%	0.429	45%	0.454	S	S	.	.	H	α-helix	trans	-75.2	-36.5	174.6	-65.2	174.2	0	0	0	111.3	L60 N115 S116	L60-L118 HydrophobicContact CD1-CD2 4.01Å; N115-L118 HydrophobicContact CB-CB 4.36Å; N115-L118 HydrophobicContact CB-CD1 4.17Å; N115-L118 PolarHBondContact O-N 3.29Å; S116-L118 VanDerWaalsContact C-N 3.33Å; S116-L118 PolarHBondContact O-N 2.7Å
119	C	45.1	Very low	42.6	Very low	4 Å²	4	93.7 Å²	93.7	3%	0.027	49%	0.489	C	S	.	.	H	α-helix	trans	-84.4	-44.1	-177.7	-64	0	0	0	0	113.3	N115 S116 S121 F182	N115-C119 PolarHBondContact O-N 3.39Å; S116-C119 PolarHBondContact O-N 3.02Å; C119-S121 PolarHBondContact O-N 2.84Å; C119-F182 VanDerWaalsContact O-CE2 3.27Å; C119-F182 WeakPolarHBondContact O-CE2 3.21Å
120	C	40.8	Very low	41.4	Very low	29 Å²	29	99 Å²	99	20%	0.196	52%	0.522	C	S	.	.			trans	-84.6	-0.2	-166.5	-61.4	0	0	0	0	115.4	S116 Q122 V144 V148	S116-C120 WeakPolarHBondContact O-CA 3.09Å; S116-C120 WeakPolarHBondContact O-CB 3.23Å; S116-C120 PolarHBondContact O-N 3.23Å; S116-C120 PolarHBondContact O-SG 3.41Å; C120-Q122 PolarHBondContact O-N 2.67Å; C120-V144 HydrophobicContact CB-CG1 3.74Å; C120-V148 VanDerWaalsContact SG-CG2 3.58Å
121	S	34.4	Very low	40	Very low	63 Å²	63	102.2 Å²	102.2	44%	0.441	54%	0.542	S	S	.	.			trans	-74	41.3	177.1	63.5	0	0	0	0	113.3	C119 R123 R180	C119-S121 PolarHBondContact O-N 2.84Å; S121-R123 VanDerWaalsContact C-N 3.27Å; S121-R123 PolarHBondContact O-N 3.15Å; S121-R180 VanDerWaalsContact CA-NH1 3.31Å; S121-R180 PolarHBondContact O-NH1 3.5Å; S121-R180 PolarHBondContact O-NH2 3.34Å; S121-R180 VanDerWaalsContact OG-CZ 3.3Å; S121-R180 PolarHBondContact OG-NH1 2.96Å; S121-R180 PolarHBondContact OG-NH2 3.21Å
122	Q	36.1	Very low	38.7	Very low	107 Å²	107	107.3 Å²	107.3	50%	0.5	58%	0.576	S	S	.	*			trans	-66.5	96.6	157.1	-72.4	-173.6	-16	0	0	106.5	C120	C120-Q122 PolarHBondContact O-N 2.67Å
123	R	31.7	Very low	37.5	Very low	230 Å²	230	116.3 Å²	116.3	87%	0.868	62%	0.615	S	S	*	*			trans	-52.1	126.8	138.5	-86.7	-174	178.1	174.3	0.9	104.2	S121 L125	S121-R123 VanDerWaalsContact C-N 3.27Å; S121-R123 PolarHBondContact O-N 3.15Å; R123-L125 PolarHBondContact O-N 3.15Å; R123-L125 VanDerWaalsContact O-N 3.12Å
124	P	29.5	Very low	36.6	Very low	85 Å²	85	117 Å²	117	55%	0.552	62%	0.622	S	S	*	*			trans	-45.1	131.4	172.8	-21.3	29.1	0	0	0	106.3	S126	P124-S126 PolarHBondContact O-N 2.73Å
125	L	32.8	Very low	35.4	Very low	166 Å²	166	118.8 Å²	118.8	87%	0.869	63%	0.627	S	S	*	*			trans	-53.1	98.8	160.3	-71.5	165.8	0	0	0	103.2	R123 L127	R123-L125 PolarHBondContact O-N 3.15Å; R123-L125 VanDerWaalsContact O-N 3.12Å; L125-L127 PolarHBondContact O-N 2.74Å
126	S	28.5	Very low	34.4	Very low	98 Å²	98	125.5 Å²	125.5	69%	0.685	66%	0.657	S	S	*	*			trans	-62.3	102.5	175.6	48.9	0	0	0	0	102.2	P124 H128	P124-S126 PolarHBondContact O-N 2.73Å; S126-H128 PolarHBondContact O-N 2.77Å
127	L	27.8	Very low	33.5	Very low	137 Å²	137	130.8 Å²	130.8	72%	0.717	68%	0.682	S	S	*	*			trans	-43	120.5	157.7	-100.1	95.8	0	0	0	103.7	L125 K129	L125-L127 PolarHBondContact O-N 2.74Å; L127-K129 PolarHBondContact O-N 3.38Å
128	H	24.8	Very low	32.6	Very low	195 Å²	195	133.4 Å²	133.4	90%	0.903	69%	0.687	S	S	*	*			trans	-53.3	89.6	168	-85.4	-84.3	0	0	0	107.3	S126	S126-H128 PolarHBondContact O-N 2.77Å
129	K	27.7	Very low	32	Very low	170 Å²	170	134.1 Å²	134.1	74%	0.739	70%	0.699	S	S	*	*			trans	-126.6	100.5	164.6	-77.6	-167.1	175.8	-173.1	0	103.1	L127 S131	L127-K129 PolarHBondContact O-N 3.38Å; K129-S131 PolarHBondContact O-N 3.14Å
130	T	28.5	Very low	31.7	Very low	133 Å²	133	139.5 Å²	139.5	82%	0.816	73%	0.731	S	S	*	*			trans	-13.7	113.4	162.7	44.8	0	0	0	0	113	T132	T130-T132 PolarHBondContact O-N 2.98Å
131	S	29.4	Very low	31.4	Very low	112 Å²	112	145.4 Å²	145.4	78%	0.783	76%	0.761	S	S	*	*			trans	13.3	108.3	147.7	169.3	0	0	0	0	115.9	K129	K129-S131 PolarHBondContact O-N 3.14Å
132	T	28.6	Very low	31.1	Very low	135 Å²	135	149.7 Å²	149.7	83%	0.828	78%	0.775	S	S	*	*			trans	-144.8	124.2	140.9	0.3	0	0	0	0	109.7	T130	T130-T132 PolarHBondContact O-N 2.98Å
133	K	30.2	Very low	30.9	Very low	205 Å²	205	148.7 Å²	148.7	89%	0.891	77%	0.773	S	S	*	*			trans	-52.2	125.9	-177.8	-62.8	169	175.3	177	0	111.4
134	I	34.6	Very low	31	Very low	166 Å²	166	140.8 Å²	140.8	85%	0.851	75%	0.75	S	S	*	*			trans	-138.8	136.7	158.6	-58.1	-177.6	0	0	0	110.4
135	N	29.5	Very low	30.9	Very low	152 Å²	152	147.3 Å²	147.3	81%	0.813	76%	0.764	S	S	*	*			trans	-57.2	145.9	-163.3	-74.6	-38.1	0	0	0	117.3	N137	N135-N137 PolarHBondContact O-N 2.69Å
136	H	31.5	Very low	30.9	Very low	189 Å²	189	147.2 Å²	147.2	88%	0.875	76%	0.759	S	S	*	*			trans	-68.2	110	165.6	-65.9	-74.9	0	0	0	110.6
137	N	33.2	Very low	31.1	Very low	147 Å²	147	151.3 Å²	151.3	79%	0.786	76%	0.76	S	S	*	*			trans	-140.6	113.2	157.9	-95	-29.7	0	0	0	110.4	N135	N135-N137 PolarHBondContact O-N 2.69Å
138	K	31.8	Very low	31.4	Very low	197 Å²	197	146.5 Å²	146.5	86%	0.857	74%	0.736	S	S	*	*	S	Bend	trans	47.5	120.6	152.4	-69.5	175.5	176.1	176.3	0	119.9
139	S	34.8	Very low	32	Very low	97 Å²	97	148.3 Å²	148.3	68%	0.678	74%	0.735	S	S	*	*			trans	65.9	70.4	149.1	-173.5	0	0	0	0	118	L141	S139-L141 VanDerWaalsContact C-N 3.34Å; S139-L141 PolarHBondContact O-N 3.19Å
140	T	38.8	Very low	32.3	Very low	116 Å²	116	144.6 Å²	144.6	71%	0.712	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	17.7	177.2	-17.3	0	0	0	0	114.8
141	L	35	Very low	32.7	Very low	154 Å²	154	139.7 Å²	139.7	81%	0.806	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-31.1	176.7	-94.3	157.6	0	0	0	113.1	S139 N143	S139-L141 VanDerWaalsContact C-N 3.34Å; S139-L141 PolarHBondContact O-N 3.19Å; L141-N143 PolarHBondContact O-N 2.71Å
142	M	27.8	Very low	33	Very low	152 Å²	152	137.4 Å²	137.4	75%	0.749	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.7	-20.2	-177.3	-78.2	-76.9	164.9	0	0	114.1
143	N	32.6	Very low	33.1	Very low	86 Å²	86	135.5 Å²	135.5	46%	0.46	67%	0.669	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.5	-4.2	-176.8	-79.3	-15.5	0	0	0	115.1	L141	L141-N143 PolarHBondContact O-N 2.71Å
144	V	34	Very low	33.3	Very low	64 Å²	64	127 Å²	127	39%	0.388	63%	0.633	S	S	.	*	S	Bend	trans	-74.4	-33.9	177.7	-178.8	0	0	0	0	111	C120 Q146 R147	C120-V144 HydrophobicContact CB-CG1 3.74Å; V144-Q146 VanDerWaalsContact C-N 3.26Å; V144-Q146 PolarHBondContact O-N 2.76Å; V144-R147 PolarHBondContact O-N 2.97Å
145	R	27.7	Very low	32.9	Very low	223 Å²	223	127.6 Å²	127.6	84%	0.842	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	-24.9	179.8	-75.2	-175.2	168.3	-166.4	-3.8	114
146	Q	32.4	Very low	33.1	Very low	164 Å²	164	124.1 Å²	124.1	77%	0.766	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-10.1	-177.6	-76.1	-176	-12.4	0	0	115	V144	V144-Q146 VanDerWaalsContact C-N 3.26Å; V144-Q146 PolarHBondContact O-N 2.76Å
147	R	31.8	Very low	33.2	Very low	183 Å²	183	119 Å²	119	69%	0.691	59%	0.588	S	S	*	*	S	Bend	trans	-90.5	-12.5	-171.5	-74.2	-176.1	177.3	-176.7	-0.9	115.2	V144 R149	V144-R147 PolarHBondContact O-N 2.97Å; R147-R149 PolarHBondContact O-N 3.2Å
148	V	35.8	Very low	32.9	Very low	37 Å²	37	119.2 Å²	119.2	22%	0.224	59%	0.589	C	S	.	*	S	Bend	trans	-92.5	101.8	175.9	179	0	0	0	0	107.9	C120 P150 F182	C120-V148 VanDerWaalsContact SG-CG2 3.58Å; V148-P150 WeakPolarHBondContact O-CD 3.49Å; V148-P150 VanDerWaalsContact O-N 3.11Å; V148-F182 HydrophobicContact CG1-CE1 4.02Å; V148-F182 HydrophobicContact CG2-CE1 4.12Å; V148-F182 HydrophobicContact CG2-CZ 4.12Å
149	R	35.8	Very low	33.1	Very low	233 Å²	233	117 Å²	117	88%	0.879	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-58.9	117.9	166.8	-148.2	179.2	-161.9	175.3	4.1	106.3	R147	R147-R149 PolarHBondContact O-N 3.2Å
150	P	35.4	Very low	32.9	Very low	92 Å²	92	117 Å²	117	60%	0.597	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-54.6	145.2	172.8	-19.5	30.7	0	0	0	108.2	V148	V148-P150 WeakPolarHBondContact O-CD 3.49Å; V148-P150 VanDerWaalsContact O-N 3.11Å
151	L	36.4	Very low	32.5	Very low	29 Å²	29	119.3 Å²	119.3	15%	0.152	58%	0.582	C	S	.	*	P	Polyproline II helix	trans	-58.8	128.8	161.8	-73.9	166.5	0	0	0	106.1	F105 P183	F105-L151 HydrophobicContact CD1-CD1 4.02Å; L151-P183 HydrophobicContact CD1-CG 4.32Å; L151-P183 HydrophobicContact CD2-CG 3.89Å
152	P	36.4	Very low	32.3	Very low	65 Å²	65	119.1 Å²	119.1	42%	0.422	58%	0.582	S	S	.	*	P	Polyproline II helix	trans	-58	139.3	179.9	20.2	-27	0	0	0	109	I154 Y251	P152-I154 PolarHBondContact O-N 2.84Å; P152-Y251 HydrophobicContact CB-CE1 4.47Å; P152-Y251 HydrophobicContact CG-CE1 3.47Å; P152-Y251 VanDerWaalsContact CG-CE1 3.47Å; P152-Y251 WeakPolarHBondContact CG-OH 3.32Å
153	P	30.6	Very low	32.9	Very low	94 Å²	94	117.7 Å²	117.7	61%	0.61	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-61.6	135.6	179	23	-31.1	0	0	0	110.2	R155	P153-R155 PolarHBondContact O-N 3.31Å; P153-R155 VanDerWaalsContact O-N 3.13Å
154	I	32.9	Very low	32.9	Very low	26 Å²	26	120.3 Å²	120.3	13%	0.133	59%	0.591	C	S	.	*			trans	-69.9	106.5	176.9	-57.6	169.8	0	0	0	108.1	R102 F105 P152	R102-I154 HydrophobicContact CG-CB 4.23Å; R102-I154 HydrophobicContact CG-CD1 4.22Å; R102-I154 HydrophobicContact CG-CG2 4.2Å; R102-I154 PolarHBondContact NE-O 2.84Å; R102-I154 PolarHBondContact NH2-O 3.12Å; F105-I154 HydrophobicContact CB-CD1 3.9Å; F105-I154 HydrophobicContact CD2-CD1 4.03Å; F105-I154 HydrophobicContact CG-CD1 4.11Å; P152-I154 PolarHBondContact O-N 2.84Å
155	R	27.8	Very low	33.2	Very low	179 Å²	179	124.1 Å²	124.1	68%	0.675	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-93.2	126.8	174.1	-70.8	-171.7	178.1	-166.3	-1.8	109.4	P153 N157 D250	P153-R155 PolarHBondContact O-N 3.31Å; P153-R155 VanDerWaalsContact O-N 3.13Å; R155-N157 PolarHBondContact O-N 2.84Å; R155-D250 WeakPolarHBondContact O-CB 3.47Å
156	T	32.9	Very low	34	Very low	80 Å²	80	121.3 Å²	121.3	49%	0.491	61%	0.611	S	S	.	*	P	Polyproline II helix	trans	-61.8	117.7	168.1	37.4	0	0	0	0	109.4
157	N	32.5	Very low	34.6	Very low	81 Å²	81	122.7 Å²	122.7	43%	0.433	61%	0.614	S	S	.	*	P	Polyproline II helix	trans	-83.8	120.2	150.5	-87.7	-3.8	0	0	0	107.2	R155 F159 D250	R155-N157 PolarHBondContact O-N 2.84Å; N157-F159 VanDerWaalsContact C-N 3.29Å; N157-F159 PolarHBondContact O-N 2.99Å; N157-D250 PolarHBondContact N-OD2 2.77Å
158	N	27.6	Very low	35.3	Very low	152 Å²	152	116.9 Å²	116.9	81%	0.813	60%	0.6	S	S	*	*			trans	-65.3	97.1	162.9	-70.1	-10.1	0	0	0	106.2	S160	N158-S160 VanDerWaalsContact C-N 3.34Å; N158-S160 PolarHBondContact O-N 2.79Å
159	F	36.4	Very low	35.8	Very low	151 Å²	151	120.1 Å²	120.1	66%	0.662	62%	0.622	S	S	*	*			trans	-62.4	103.7	164.1	-71.2	-80.9	0	0	0	106.6	N157 H161	N157-F159 VanDerWaalsContact C-N 3.29Å; N157-F159 PolarHBondContact O-N 2.99Å; F159-H161 PolarHBondContact O-N 3.31Å
160	S	30.2	Very low	36.3	Very low	96 Å²	96	112 Å²	112	67%	0.671	60%	0.598	S	S	*	*			trans	-58.8	121	161.5	56.8	0	0	0	0	106.3	N158 N162	N158-S160 VanDerWaalsContact C-N 3.34Å; N158-S160 PolarHBondContact O-N 2.79Å; S160-N162 PolarHBondContact O-N 3.41Å
161	H	30.5	Very low	37.1	Very low	164 Å²	164	109.1 Å²	109.1	76%	0.759	58%	0.578	S	S	*	*			trans	-51.2	92.3	167.3	-110.8	-71.4	0	0	0	108.3	F159 D163	F159-H161 PolarHBondContact O-N 3.31Å; H161-D163 IonicContact CE1-OD1 3.79Å; H161-D163 IonicContact ND1-OD1 3.27Å; H161-D163 PolarHBondContact ND1-OD1 3.42Å
162	N	30.6	Very low	37.9	Very low	150 Å²	150	111.3 Å²	111.3	80%	0.802	59%	0.592	S	S	*	*			trans	-106.8	90.2	158.3	-109.3	-2.1	0	0	0	104.3	S160 N164	S160-N162 PolarHBondContact O-N 3.41Å; N162-N164 VanDerWaalsContact C-N 3.27Å; N162-N164 PolarHBondContact O-N 3.42Å
163	D	40.3	Very low	38.8	Very low	122 Å²	122	109.9 Å²	109.9	65%	0.652	58%	0.579	S	S	*	*			trans	-59.2	95.2	165.3	-62.4	-31.5	0	0	0	106.7	H161	H161-D163 IonicContact CE1-OD1 3.79Å; H161-D163 IonicContact ND1-OD1 3.27Å; H161-D163 PolarHBondContact ND1-OD1 3.42Å
164	N	33	Very low	40.1	Very low	141 Å²	141	108.3 Å²	108.3	75%	0.754	57%	0.566	S	S	*	*			trans	-173.7	115.3	149.4	-88.1	-28.9	0	0	0	110.9	N162	N162-N164 VanDerWaalsContact C-N 3.27Å; N162-N164 PolarHBondContact O-N 3.42Å
165	N	39.6	Very low	41.2	Very low	144 Å²	144	108.9 Å²	108.9	77%	0.77	57%	0.567	S	S	*	*	S	Bend	trans	70.4	106.4	149.1	-58.5	-25.1	0	0	0	118.9
166	L	44.6	Very low	42.6	Very low	165 Å²	165	101.7 Å²	101.7	86%	0.864	54%	0.543	S	S	*	.			trans	61.4	89.4	163.9	-63.7	157	0	0	0	113.7	P168	L166-P168 VanDerWaalsContact O-N 3.11Å
167	K	45.8	Very low	43.8	Very low	192 Å²	192	98.1 Å²	98.1	84%	0.835	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-46.3	122.1	162.5	-89.6	-177	175.7	-178.1	0	107.6
168	P	45.6	Very low	44.9	Very low	62 Å²	62	96.2 Å²	96.2	40%	0.403	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-57.4	144.4	176.5	22	-31.1	0	0	0	109.3	L166 T170	L166-P168 VanDerWaalsContact O-N 3.11Å; P168-T170 PolarHBondContact O-N 2.84Å
169	P	46.1	Very low	46	Very low	104 Å²	104	90.4 Å²	90.4	68%	0.675	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-55.8	127.2	-178.5	22.8	-32.3	0	0	0	109.2	I171 S201	P169-I171 PolarHBondContact O-N 3.17Å; P169-S201 VanDerWaalsContact O-CB 3.29Å; P169-S201 WeakPolarHBondContact O-CB 3.5Å
170	T	47.8	Very low	46.8	Very low	63 Å²	63	85.9 Å²	85.9	39%	0.387	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-68.7	126.8	178.5	-59.6	0	0	0	0	108.9	P168 P202 V204	P168-T170 PolarHBondContact O-N 2.84Å; T170-P202 WeakPolarHBondContact CA-O 3.33Å; T170-P202 HydrophobicContact CG2-CG 4.48Å; T170-V204 HydrophobicContact CG2-CB 4Å; T170-V204 HydrophobicContact CG2-CG2 3.26Å
171	I	51.8	Low	48	Very low	32 Å²	32	81.3 Å²	81.3	16%	0.164	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	111.5	-177.3	-69.1	167.1	0	0	0	108.7	P169 Q173 E197 A199 P202 I203 V204	P169-I171 PolarHBondContact O-N 3.17Å; I171-Q173 HydrophobicContact CG2-CG 4.35Å; I171-Q173 PolarHBondContact O-N 3.48Å; I171-E197 HydrophobicContact CD1-CB 4.41Å; I171-A199 HydrophobicContact CD1-CB 2.98Å; I171-A199 HydrophobicContact CG1-CB 4.41Å; I171-P202 PolarHBondContact N-O 3.48Å; I171-I203 CarbonylContact O-C 3.55Å; I171-I203 WeakPolarHBondContact O-CA 3.17Å; I171-V204 PolarHBondContact O-N 2.77Å
172	V	53.3	Low	49.2	Very low	74 Å²	74	74.8 Å²	74.8	45%	0.448	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	108.2	178.2	-175.1	0	0	0	0	109.6	V204 R206	V172-V204 CarbonylContact C-O 3.44Å; V172-V204 WeakPolarHBondContact CA-O 3.28Å; V172-V204 HydrophobicContact CG2-CB 4.32Å; V172-R206 HydrophobicContact CG1-CB 3.85Å
173	Q	55.9	Low	50.3	Low	35 Å²	35	68.9 Å²	68.9	16%	0.164	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	113.6	170.5	-65.9	-177.5	-1.6	0	0	110.1	I171 Y175 I203 V204 L205 R206	I171-Q173 HydrophobicContact CG2-CG 4.35Å; I171-Q173 PolarHBondContact O-N 3.48Å; Q173-Y175 HydrophobicContact CB-CD2 4.3Å; Q173-Y175 HydrophobicContact CB-CE2 3.71Å; Q173-Y175 WeakPolarHBondContact O-CD2 3.37Å; Q173-Y175 PolarHBondContact OE1-OH 3.43Å; Q173-I203 HydrophobicContact CB-CG2 4.33Å; Q173-I203 HydrophobicContact CG-CG2 3.74Å; Q173-V204 PolarHBondContact N-O 3.05Å; Q173-L205 HydrophobicContact CB-CD2 3.94Å; Q173-R206 PolarHBondContact O-N 3.05Å
174	N	57.1	Low	50.9	Low	62 Å²	62	65.3 Å²	65.3	33%	0.332	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	123.2	179.4	-64.2	-59.7	0	0	0	110.5	T186 R206	N174-T186 WeakPolarHBondContact O-CB 3.49Å; N174-T186 PolarHBondContact O-N 3.27Å; N174-T186 PolarHBondContact O-OG1 3.36Å; N174-R206 CarbonylContact C-O 3.49Å; N174-R206 WeakPolarHBondContact CA-O 3.25Å; N174-R206 WeakPolarHBondContact OD1-CB 3.16Å; N174-R206 WeakPolarHBondContact OD1-CD 3.27Å
175	Y	55.5	Low	51.8	Low	38 Å²	38	61.1 Å²	61.1	15%	0.149	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	149.9	171.2	-72.7	-99	0	0	0	109.6	Q173 P183 V184 R185 T186 L205 R206 I207 S208	Q173-Y175 HydrophobicContact CB-CD2 4.3Å; Q173-Y175 HydrophobicContact CB-CE2 3.71Å; Q173-Y175 WeakPolarHBondContact O-CD2 3.37Å; Q173-Y175 PolarHBondContact OE1-OH 3.43Å; Y175-P183 HydrophobicContact CD1-CB 3.63Å; Y175-P183 HydrophobicContact CE1-CB 4.45Å; Y175-P183 HydrophobicContact CG-CB 4.04Å; Y175-V184 CarbonylContact C-O 3.52Å; Y175-V184 VanDerWaalsContact CA-O 3.23Å; Y175-V184 WeakPolarHBondContact CA-O 3.3Å; Y175-R185 HydrophobicContact CD1-CB 4.47Å; Y175-R185 HydrophobicContact CD1-CG 3.97Å; Y175-R185 HydrophobicContact CE1-CB 4.26Å; Y175-R185 HydrophobicContact CE1-CG 3.4Å; Y175-R185 VanDerWaalsContact CE1-CG 3.4Å; Y175-R185 HydrophobicContact CE2-CG 4.05Å; Y175-R185 VanDerWaalsContact CZ-CG 3.43Å; Y175-T186 PolarHBondContact N-OG1 3Å; Y175-L205 HydrophobicContact CD2-CD2 4.04Å; Y175-L205 HydrophobicContact CE2-CD2 3.5Å; Y175-L205 VanDerWaalsContact CE2-CD2 3.5Å; Y175-R206 PolarHBondContact N-O 2.72Å; Y175-R206 VanDerWaalsContact O-O 3.11Å; Y175-I207 CarbonylContact O-C 3.58Å; Y175-I207 VanDerWaalsContact O-CA 3.3Å; Y175-I207 WeakPolarHBondContact O-CA 3.23Å; Y175-S208 PolarHBondContact O-N 2.91Å
176	T	57	Low	52.5	Low	28 Å²	28	56.3 Å²	56.3	17%	0.172	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	131.6	167	-62.5	0	0	0	0	107.5	V184 T186 I189 S208 P210	T176-V184 PolarHBondContact N-O 3.41Å; T176-V184 PolarHBondContact O-N 3.38Å; T176-T186 PolarHBondContact OG1-OG1 3.28Å; T176-I189 HydrophobicContact CG2-CD1 4.48Å; T176-S208 WeakPolarHBondContact CA-O 3.49Å; T176-P210 HydrophobicContact CG2-CG 4.4Å
177	L	58.6	Low	52.9	Low	4 Å²	4	50.1 Å²	50.1	2%	0.021	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	146.3	172.3	-64.4	-176.5	0	0	0	109.6	Y62 I65 L181 F182 P183 I207 S208 I209	Y62-L177 HydrophobicContact CE1-CB 3.68Å; Y62-L177 HydrophobicContact CE1-CD1 4.37Å; Y62-L177 PolarHBondContact OH-O 3.45Å; I65-L177 HydrophobicContact CD1-CD1 3.12Å; L177-L181 HydrophobicContact CD1-CD2 4.17Å; L177-F182 CarbonylContact C-O 3.42Å; L177-F182 WeakPolarHBondContact CA-O 3.48Å; L177-P183 HydrophobicContact CD2-CB 3.97Å; L177-I207 HydrophobicContact CD1-CG2 3.94Å; L177-I207 HydrophobicContact CD2-CD1 4.4Å; L177-I207 HydrophobicContact CD2-CG2 3.71Å; L177-I207 HydrophobicContact CG-CG2 3.41Å; L177-I207 VanDerWaalsContact CG-CG2 3.41Å; L177-S208 PolarHBondContact N-O 3.45Å; L177-I209 HydrophobicContact CD1-CD1 4.11Å; L177-I209 HydrophobicContact CD1-CG1 3.92Å; L177-I209 HydrophobicContact CG-CG1 4.4Å
178	N	54.9	Low	53	Low	41 Å²	41	45.7 Å²	45.7	22%	0.219	26%	0.256	C	S	.	.			trans	-90.5	175.8	164.1	71.4	9.6	0	0	0	111.1	Y62 R180 L181 F182 V184	Y62-N178 WeakPolarHBondContact CE2-O 3.45Å; Y62-N178 VanDerWaalsContact CZ-C 3.43Å; Y62-N178 WeakPolarHBondContact OH-CA 3.25Å; Y62-N178 PolarHBondContact OH-O 2.94Å; N178-R180 PolarHBondContact O-N 2.94Å; N178-R180 WeakPolarHBondContact OD1-CA 3.21Å; N178-R180 PolarHBondContact OD1-N 2.8Å; N178-L181 PolarHBondContact O-N 3.42Å; N178-L181 PolarHBondContact OD1-N 2.8Å; N178-L181 VanDerWaalsContact OD1-N 3.16Å; N178-F182 PolarHBondContact N-O 3.34Å; N178-F182 PolarHBondContact OD1-N 3.5Å; N178-V184 HydrophobicContact CB-CG2 4.39Å
179	S	52.1	Low	53.1	Low	31 Å²	31	47.6 Å²	47.6	22%	0.217	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-43.7	-28.1	174.4	41.9	0	0	0	0	115.2	D58	D58-S179 CarbonylContact O-C 3.44Å; D58-S179 WeakPolarHBondContact O-CB 3.25Å
180	R	51.8	Low	53.2	Low	56 Å²	56	46 Å²	46	21%	0.211	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	16.1	-175.2	-66.3	147	170.1	-88.4	1.4	113.1	S121 N178 F182	S121-R180 VanDerWaalsContact CA-NH1 3.31Å; S121-R180 PolarHBondContact O-NH1 3.5Å; S121-R180 PolarHBondContact O-NH2 3.34Å; S121-R180 VanDerWaalsContact OG-CZ 3.3Å; S121-R180 PolarHBondContact OG-NH1 2.96Å; S121-R180 PolarHBondContact OG-NH2 3.21Å; N178-R180 PolarHBondContact O-N 2.94Å; N178-R180 WeakPolarHBondContact OD1-CA 3.21Å; N178-R180 PolarHBondContact OD1-N 2.8Å; R180-F182 VanDerWaalsContact C-N 3.3Å; R180-F182 HydrophobicContact CB-CD2 3.84Å; R180-F182 HydrophobicContact CB-CE2 3.93Å; R180-F182 WeakPolarHBondContact O-CD2 3.23Å; R180-F182 PolarHBondContact O-N 3.39Å
181	L	55.8	Low	52.7	Low	0 Å²	0	45.7 Å²	45.7	0%	0	27%	0.267	C	S	.	.			trans	63.7	25.8	179.2	-45.1	176.9	0	0	0	115.4	G61 Y62 W64 I65 L108 F111 L177 N178 P183	G61-L181 VanDerWaalsContact CA-CD1 3.41Å; G61-L181 WeakPolarHBondContact O-CD1 3.43Å; G61-L181 WeakPolarHBondContact O-CD2 3.32Å; Y62-L181 HydrophobicContact CD1-CD2 3.75Å; Y62-L181 HydrophobicContact CE1-CD2 4.17Å; Y62-L181 HydrophobicContact CG-CD2 4.04Å; W64-L181 HydrophobicContact CE3-CD1 4.48Å; I65-L181 HydrophobicContact CD1-CB 4.1Å; I65-L181 HydrophobicContact CD1-CD1 3.78Å; I65-L181 HydrophobicContact CD1-CD2 3.23Å; I65-L181 HydrophobicContact CD1-CG 3.86Å; I65-L181 HydrophobicContact CG1-CD1 3.88Å; I65-L181 HydrophobicContact CG1-CD2 3.86Å; I65-L181 HydrophobicContact CG1-CG 4.4Å; L108-L181 HydrophobicContact CD1-CB 4.3Å; L108-L181 HydrophobicContact CD1-CD1 3.99Å; F111-L181 HydrophobicContact CD1-CD1 4.03Å; F111-L181 HydrophobicContact CE1-CD1 3.84Å; L177-L181 HydrophobicContact CD1-CD2 4.17Å; N178-L181 PolarHBondContact O-N 3.42Å; N178-L181 PolarHBondContact OD1-N 2.8Å; N178-L181 VanDerWaalsContact OD1-N 3.16Å; L181-P183 WeakPolarHBondContact O-CD 3.37Å
182	F	55.4	Low	52.2	Low	27 Å²	27	49 Å²	49	12%	0.118	29%	0.285	C	S	.	.			trans	-82.7	125.5	167.3	-67.5	-101.3	0	0	0	108.9	C119 V148 L177 N178 R180 V184	C119-F182 VanDerWaalsContact O-CE2 3.27Å; C119-F182 WeakPolarHBondContact O-CE2 3.21Å; V148-F182 HydrophobicContact CG1-CE1 4.02Å; V148-F182 HydrophobicContact CG2-CE1 4.12Å; V148-F182 HydrophobicContact CG2-CZ 4.12Å; L177-F182 CarbonylContact C-O 3.42Å; L177-F182 WeakPolarHBondContact CA-O 3.48Å; N178-F182 PolarHBondContact N-O 3.34Å; N178-F182 PolarHBondContact OD1-N 3.5Å; R180-F182 VanDerWaalsContact C-N 3.3Å; R180-F182 HydrophobicContact CB-CD2 3.84Å; R180-F182 HydrophobicContact CB-CE2 3.93Å; R180-F182 WeakPolarHBondContact O-CD2 3.23Å; R180-F182 PolarHBondContact O-N 3.39Å; F182-V184 PolarHBondContact O-N 2.73Å
183	P	54.2	Low	51.6	Low	26 Å²	26	57 Å²	57	17%	0.169	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	120.1	168.9	28.3	-31.2	0	0	0	108.5	L151 Y175 L177 L181 I207	L151-P183 HydrophobicContact CD1-CG 4.32Å; L151-P183 HydrophobicContact CD2-CG 3.89Å; Y175-P183 HydrophobicContact CD1-CB 3.63Å; Y175-P183 HydrophobicContact CE1-CB 4.45Å; Y175-P183 HydrophobicContact CG-CB 4.04Å; L177-P183 HydrophobicContact CD2-CB 3.97Å; L181-P183 WeakPolarHBondContact O-CD 3.37Å; P183-I207 HydrophobicContact CB-CD1 4.4Å
184	V	54.2	Low	50.9	Low	46 Å²	46	63 Å²	63	28%	0.279	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	129.7	171.9	-176.6	0	0	0	0	107.3	Y175 T176 N178 F182 T186 I189	Y175-V184 CarbonylContact C-O 3.52Å; Y175-V184 VanDerWaalsContact CA-O 3.23Å; Y175-V184 WeakPolarHBondContact CA-O 3.3Å; T176-V184 PolarHBondContact N-O 3.41Å; T176-V184 PolarHBondContact O-N 3.38Å; N178-V184 HydrophobicContact CB-CG2 4.39Å; F182-V184 PolarHBondContact O-N 2.73Å; V184-T186 PolarHBondContact O-N 2.82Å; V184-I189 HydrophobicContact CB-CD1 3.99Å; V184-I189 HydrophobicContact CB-CG1 4.28Å; V184-I189 HydrophobicContact CG1-CD1 3.82Å; V184-I189 HydrophobicContact CG1-CG1 3.54Å
185	R	51.6	Low	50.2	Low	53 Å²	53	66 Å²	66	20%	0.2	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	127.5	174.8	-96.2	-169.7	72.5	161.3	1.6	110.3	Y175 D187 V188 I189 H195	Y175-R185 HydrophobicContact CD1-CB 4.47Å; Y175-R185 HydrophobicContact CD1-CG 3.97Å; Y175-R185 HydrophobicContact CE1-CB 4.26Å; Y175-R185 HydrophobicContact CE1-CG 3.4Å; Y175-R185 VanDerWaalsContact CE1-CG 3.4Å; Y175-R185 HydrophobicContact CE2-CG 4.05Å; Y175-R185 VanDerWaalsContact CZ-CG 3.43Å; R185-D187 VanDerWaalsContact C-N 3.31Å; R185-D187 VanDerWaalsContact CB-OD1 3.23Å; R185-D187 WeakPolarHBondContact CB-OD1 3.45Å; R185-D187 IonicContact CZ-OD1 3.64Å; R185-D187 IonicContact CZ-OD2 3.28Å; R185-D187 VanDerWaalsContact NE-CG 3.34Å; R185-D187 IonicContact NE-OD1 3.36Å; R185-D187 PolarHBondContact NE-OD1 2.97Å; R185-D187 IonicContact NE-OD2 3Å; R185-D187 PolarHBondContact NE-OD2 3Å; R185-D187 IonicContact NH2-OD1 3.58Å; R185-D187 IonicContact NH2-OD2 2.67Å; R185-D187 PolarHBondContact NH2-OD2 2.77Å; R185-D187 PolarHBondContact O-N 2.77Å; R185-V188 HydrophobicContact CB-CB 4.03Å; R185-V188 HydrophobicContact CB-CG2 3.58Å; R185-V188 WeakPolarHBondContact O-CB 3.39Å; R185-V188 PolarHBondContact O-N 3.16Å; R185-V188 VanDerWaalsContact O-N 3.11Å; R185-I189 PolarHBondContact O-N 2.81Å; R185-H195 PolarHBondContact NH2-O 3.46Å
186	T	54.3	Low	49.6	Very low	43 Å²	43	72.9 Å²	72.9	26%	0.264	38%	0.378	S	S	.	.	H	α-helix	trans	-68.7	-34	-172.8	-50.6	0	0	0	0	111	N174 Y175 T176 V184 V188 I189 A190	N174-T186 WeakPolarHBondContact O-CB 3.49Å; N174-T186 PolarHBondContact O-N 3.27Å; N174-T186 PolarHBondContact O-OG1 3.36Å; Y175-T186 PolarHBondContact N-OG1 3Å; T176-T186 PolarHBondContact OG1-OG1 3.28Å; V184-T186 PolarHBondContact O-N 2.82Å; T186-V188 VanDerWaalsContact C-N 3.32Å; T186-V188 PolarHBondContact O-N 3.05Å; T186-I189 PolarHBondContact O-N 3.09Å; T186-A190 WeakPolarHBondContact O-CB 3.37Å; T186-A190 PolarHBondContact O-N 2.85Å
187	D	53.3	Low	49	Very low	36 Å²	36	76.8 Å²	76.8	19%	0.193	39%	0.394	C	S	.	.	H	α-helix	trans	-63.1	-36.1	171.5	59.1	-58.2	0	0	0	112.2	R185 I189 A190 G191 D192	R185-D187 VanDerWaalsContact C-N 3.31Å; R185-D187 VanDerWaalsContact CB-OD1 3.23Å; R185-D187 WeakPolarHBondContact CB-OD1 3.45Å; R185-D187 IonicContact CZ-OD1 3.64Å; R185-D187 IonicContact CZ-OD2 3.28Å; R185-D187 VanDerWaalsContact NE-CG 3.34Å; R185-D187 IonicContact NE-OD1 3.36Å; R185-D187 PolarHBondContact NE-OD1 2.97Å; R185-D187 IonicContact NE-OD2 3Å; R185-D187 PolarHBondContact NE-OD2 3Å; R185-D187 IonicContact NH2-OD1 3.58Å; R185-D187 IonicContact NH2-OD2 2.67Å; R185-D187 PolarHBondContact NH2-OD2 2.77Å; R185-D187 PolarHBondContact O-N 2.77Å; D187-I189 VanDerWaalsContact C-N 3.32Å; D187-I189 PolarHBondContact O-N 2.88Å; D187-A190 PolarHBondContact O-N 2.99Å; D187-G191 PolarHBondContact O-N 2.89Å; D187-G191 VanDerWaalsContact O-N 3.15Å; D187-D192 WeakPolarHBondContact CB-O 3.47Å; D187-D192 PolarHBondContact O-N 3.44Å; D187-D192 VanDerWaalsContact O-N 3.15Å
188	V	46.7	Very low	48.2	Very low	99 Å²	99	86.8 Å²	86.8	60%	0.6	44%	0.438	S	S	*	.	H	α-helix	trans	-66.5	-34.4	173.1	178	0	0	0	0	111.6	R185 T186	R185-V188 HydrophobicContact CB-CB 4.03Å; R185-V188 HydrophobicContact CB-CG2 3.58Å; R185-V188 WeakPolarHBondContact O-CB 3.39Å; R185-V188 PolarHBondContact O-N 3.16Å; R185-V188 VanDerWaalsContact O-N 3.11Å; T186-V188 VanDerWaalsContact C-N 3.32Å; T186-V188 PolarHBondContact O-N 3.05Å
189	I	46.9	Very low	47.8	Very low	102 Å²	102	85.9 Å²	85.9	52%	0.523	44%	0.436	S	S	.	.	H	α-helix	trans	-73.9	-43.1	175.8	-58.2	171.5	0	0	0	111	T176 V184 R185 T186 D187 G191	T176-I189 HydrophobicContact CG2-CD1 4.48Å; V184-I189 HydrophobicContact CB-CD1 3.99Å; V184-I189 HydrophobicContact CB-CG1 4.28Å; V184-I189 HydrophobicContact CG1-CD1 3.82Å; V184-I189 HydrophobicContact CG1-CG1 3.54Å; R185-I189 PolarHBondContact O-N 2.81Å; T186-I189 PolarHBondContact O-N 3.09Å; D187-I189 VanDerWaalsContact C-N 3.32Å; D187-I189 PolarHBondContact O-N 2.88Å; I189-G191 PolarHBondContact O-N 3.38Å
190	A	48.9	Very low	47.7	Very low	69 Å²	69	93 Å²	93	57%	0.57	47%	0.471	S	S	*	.	H	α-helix	trans	-68.5	-13	-179.1	0	0	0	0	0	113	T186 D187 D192	T186-A190 WeakPolarHBondContact O-CB 3.37Å; T186-A190 PolarHBondContact O-N 2.85Å; D187-A190 PolarHBondContact O-N 2.99Å; A190-D192 PolarHBondContact O-N 2.97Å
191	G	38.3	Very low	47.4	Very low	57 Å²	57	91.4 Å²	91.4	59%	0.588	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.7	-1.4	-175.7	0	0	0	0	0	113.5	D187 I189 R193	D187-G191 PolarHBondContact O-N 2.89Å; D187-G191 VanDerWaalsContact O-N 3.15Å; I189-G191 PolarHBondContact O-N 3.38Å; G191-R193 PolarHBondContact O-N 2.88Å; G191-R193 VanDerWaalsContact O-N 3.11Å
192	D	41	Very low	46.9	Very low	103 Å²	103	93.3 Å²	93.3	55%	0.551	48%	0.481	S	S	*	.			trans	-80.1	89.8	176.1	-80.3	-32	0	0	0	109.7	D187 A190 K194	D187-D192 WeakPolarHBondContact CB-O 3.47Å; D187-D192 PolarHBondContact O-N 3.44Å; D187-D192 VanDerWaalsContact O-N 3.15Å; A190-D192 PolarHBondContact O-N 2.97Å; D192-K194 PolarHBondContact O-N 3.26Å
193	R	39.5	Very low	46.6	Very low	241 Å²	241	92.6 Å²	92.6	91%	0.909	48%	0.478	S	S	*	.			trans	-69.9	29.2	174.9	-69.8	-173.7	176.4	-174	-0.1	114	G191	G191-R193 PolarHBondContact O-N 2.88Å; G191-R193 VanDerWaalsContact O-N 3.11Å
194	K	41.6	Very low	46.3	Very low	161 Å²	161	91.8 Å²	91.8	70%	0.7	47%	0.473	S	S	*	.			trans	-89.8	124.2	-178	-63.5	-159.8	179.7	-174.9	0	110.4	D192	D192-K194 PolarHBondContact O-N 3.26Å
195	H	42.7	Very low	46.1	Very low	125 Å²	125	89.8 Å²	89.8	58%	0.579	46%	0.461	S	S	*	.			trans	76.6	89.4	167.6	-66.1	-69.2	0	0	0	118.3	R185 E197	R185-H195 PolarHBondContact NH2-O 3.46Å; H195-E197 PolarHBondContact O-N 2.75Å
196	E	42.6	Very low	46.1	Very low	183 Å²	183	89.1 Å²	89.1	86%	0.855	46%	0.458	S	S	*	.			trans	-78.1	80.8	131.4	-73.1	-173.1	164.9	0	0	107.7	K198	E196-K198 PolarHBondContact O-N 3.3Å
197	E	44.4	Very low	46.2	Very low	109 Å²	109	87.1 Å²	87.1	51%	0.509	45%	0.446	S	S	.	.			trans	-70.6	109.5	166.5	-109	175.3	174.6	0	0	108	I171 H195 A199	I171-E197 HydrophobicContact CD1-CB 4.41Å; H195-E197 PolarHBondContact O-N 2.75Å; E197-A199 VanDerWaalsContact C-N 3.29Å; E197-A199 PolarHBondContact O-N 2.82Å
198	K	41.2	Very low	46.2	Very low	215 Å²	215	85.8 Å²	85.8	94%	0.935	44%	0.44	S	S	*	.			trans	-65.9	96.8	160.9	-75.3	-171.5	177.4	-176.5	0	106.2	E196	E196-K198 PolarHBondContact O-N 3.3Å
199	A	47.9	Very low	46.6	Very low	22 Å²	22	81.2 Å²	81.2	18%	0.182	41%	0.411	C	S	.	.			trans	-113	128	-176.4	0	0	0	0	0	111.2	I171 E197 S201	I171-A199 HydrophobicContact CD1-CB 2.98Å; I171-A199 HydrophobicContact CG1-CB 4.41Å; E197-A199 VanDerWaalsContact C-N 3.29Å; E197-A199 PolarHBondContact O-N 2.82Å; A199-S201 PolarHBondContact O-N 2.74Å
200	D	49.5	Very low	46.8	Very low	179 Å²	179	77.2 Å²	77.2	96%	0.957	39%	0.392	S	S	*	.	S	Bend	trans	-74.2	5.3	160.6	-63.2	-39.6	0	0	0	111.4
201	S	45.9	Very low	46.9	Very low	24 Å²	24	75 Å²	75	17%	0.168	37%	0.373	C	S	.	.	S	Bend	trans	-87.5	151.9	177.2	-50.6	0	0	0	0	111.9	P169 A199 I203	P169-S201 VanDerWaalsContact O-CB 3.29Å; P169-S201 WeakPolarHBondContact O-CB 3.5Å; A199-S201 PolarHBondContact O-N 2.74Å; S201-I203 PolarHBondContact O-N 2.88Å
202	P	45.6	Very low	47.6	Very low	39 Å²	39	78.5 Å²	78.5	25%	0.253	37%	0.373	S	S	.	.	P	Polyproline II helix	trans	-58.6	132.9	172.3	24	-31.8	0	0	0	110.5	T170 I171	T170-P202 WeakPolarHBondContact CA-O 3.33Å; T170-P202 HydrophobicContact CG2-CG 4.48Å; I171-P202 PolarHBondContact N-O 3.48Å
203	I	47.7	Very low	47.9	Very low	12 Å²	12	76.6 Å²	76.6	6%	0.062	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	126.5	179.9	-56.3	-170.4	0	0	0	108.8	I171 Q173 S201 L205 C249 Y251	I171-I203 CarbonylContact O-C 3.55Å; I171-I203 WeakPolarHBondContact O-CA 3.17Å; Q173-I203 HydrophobicContact CB-CG2 4.33Å; Q173-I203 HydrophobicContact CG-CG2 3.74Å; S201-I203 PolarHBondContact O-N 2.88Å; I203-L205 HydrophobicContact CG2-CD2 4.25Å; I203-C249 CarbonylContact O-C 3.32Å; I203-C249 VanDerWaalsContact O-C 3.32Å; I203-C249 PolarHBondContact O-N 3.43Å; I203-Y251 HydrophobicContact CB-CD2 4.27Å; I203-Y251 HydrophobicContact CD1-CD2 4.43Å; I203-Y251 HydrophobicContact CD1-CG 4.47Å; I203-Y251 HydrophobicContact CG2-CD2 4.31Å
204	V	48.2	Very low	48.3	Very low	9 Å²	9	65.8 Å²	65.8	6%	0.055	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	121.8	173.1	170.3	0	0	0	0	108.7	T170 I171 V172 Q173 I246 H248	T170-V204 HydrophobicContact CG2-CB 4Å; T170-V204 HydrophobicContact CG2-CG2 3.26Å; I171-V204 PolarHBondContact O-N 2.77Å; V172-V204 CarbonylContact C-O 3.44Å; V172-V204 WeakPolarHBondContact CA-O 3.28Å; V172-V204 HydrophobicContact CG2-CB 4.32Å; Q173-V204 PolarHBondContact N-O 3.05Å; V204-I246 HydrophobicContact CG1-CG2 3.36Å; V204-H248 WeakPolarHBondContact CG2-ND1 3.39Å
205	L	50.5	Low	48.6	Very low	5 Å²	5	65.9 Å²	65.9	3%	0.026	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	117.2	172.8	-62.1	-169.9	0	0	0	109.3	F105 Q173 Y175 I203 G247 C249 Y251	F105-L205 HydrophobicContact CE1-CD1 4.25Å; F105-L205 HydrophobicContact CZ-CB 4.29Å; F105-L205 HydrophobicContact CZ-CD1 4.32Å; Q173-L205 HydrophobicContact CB-CD2 3.94Å; Y175-L205 HydrophobicContact CD2-CD2 4.04Å; Y175-L205 HydrophobicContact CE2-CD2 3.5Å; Y175-L205 VanDerWaalsContact CE2-CD2 3.5Å; I203-L205 HydrophobicContact CG2-CD2 4.25Å; L205-G247 PolarHBondContact N-O 3.02Å; L205-G247 PolarHBondContact O-N 3.26Å; L205-C249 HydrophobicContact CD1-CB 3.98Å; L205-C249 WeakPolarHBondContact CD1-SG 3.22Å; L205-C249 HydrophobicContact CG-CB 3.75Å; L205-C249 WeakPolarHBondContact CG-SG 3.35Å; L205-Y251 HydrophobicContact CD1-CE2 4.11Å; L205-Y251 HydrophobicContact CD2-CE2 4.12Å; L205-Y251 HydrophobicContact CG-CE2 4.31Å
206	R	52	Low	48.7	Very low	39 Å²	39	63.5 Å²	63.5	15%	0.147	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	103.7	173.4	-178.7	172	174.1	-168.7	2.2	109.9	V172 Q173 N174 Y175 Y237 S244 L245 I246	V172-R206 HydrophobicContact CG1-CB 3.85Å; Q173-R206 PolarHBondContact O-N 3.05Å; N174-R206 CarbonylContact C-O 3.49Å; N174-R206 WeakPolarHBondContact CA-O 3.25Å; N174-R206 WeakPolarHBondContact OD1-CB 3.16Å; N174-R206 WeakPolarHBondContact OD1-CD 3.27Å; Y175-R206 PolarHBondContact N-O 2.72Å; Y175-R206 VanDerWaalsContact O-O 3.11Å; R206-Y237 PolarHBondContact NH2-O 2.73Å; R206-S244 PolarHBondContact NE-OG 2.67Å; R206-S244 PolarHBondContact NH2-OG 2.77Å; R206-L245 CarbonylContact C-O 3.46Å; R206-L245 WeakPolarHBondContact CA-O 3.49Å; R206-I246 HydrophobicContact CG-CG1 4.27Å
207	I	56.3	Low	48.8	Very low	1 Å²	1	56.8 Å²	56.8	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	113	176.5	-64.6	-179.1	0	0	0	110.4	F105 Y175 L177 P183 I209 S244 L245	F105-I207 HydrophobicContact CE1-CD1 3.41Å; F105-I207 VanDerWaalsContact CE1-CD1 3.41Å; F105-I207 HydrophobicContact CE1-CG1 4.45Å; F105-I207 HydrophobicContact CZ-CD1 3.54Å; F105-I207 HydrophobicContact CZ-CG1 4.24Å; Y175-I207 CarbonylContact O-C 3.58Å; Y175-I207 VanDerWaalsContact O-CA 3.3Å; Y175-I207 WeakPolarHBondContact O-CA 3.23Å; L177-I207 HydrophobicContact CD1-CG2 3.94Å; L177-I207 HydrophobicContact CD2-CD1 4.4Å; L177-I207 HydrophobicContact CD2-CG2 3.71Å; L177-I207 HydrophobicContact CG-CG2 3.41Å; L177-I207 VanDerWaalsContact CG-CG2 3.41Å; P183-I207 HydrophobicContact CB-CD1 4.4Å; I207-I209 HydrophobicContact CG2-CG1 4.39Å; I207-S244 CarbonylContact O-C 3.5Å; I207-S244 WeakPolarHBondContact O-CA 3.23Å; I207-L245 HydrophobicContact CB-CB 4.39Å; I207-L245 PolarHBondContact N-O 2.75Å; I207-L245 PolarHBondContact O-N 2.98Å
208	S	54	Low	49.1	Very low	8 Å²	8	58.9 Å²	58.9	6%	0.056	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	129	171.7	-62.7	0	0	0	0	111.3	Y175 T176 L177 I243 S244	Y175-S208 PolarHBondContact O-N 2.91Å; T176-S208 WeakPolarHBondContact CA-O 3.49Å; L177-S208 PolarHBondContact N-O 3.45Å; S208-I243 CarbonylContact C-O 3.57Å; S208-I243 VanDerWaalsContact CA-O 3.3Å; S208-I243 WeakPolarHBondContact CA-O 3.37Å; S208-S244 PolarHBondContact OG-OG 2.62Å
209	I	54.4	Low	49.3	Very low	2 Å²	2	53.1 Å²	53.1	1%	0.01	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	118.9	175.7	-56.9	177.6	0	0	0	107.7	Y62 I65 L177 I207 S211 L214 T242 I243 L245	Y62-I209 HydrophobicContact CD1-CG2 3.77Å; Y62-I209 HydrophobicContact CE1-CG2 3.83Å; I65-I209 HydrophobicContact CB-CD1 4.33Å; I65-I209 HydrophobicContact CG2-CD1 3.29Å; L177-I209 HydrophobicContact CD1-CD1 4.11Å; L177-I209 HydrophobicContact CD1-CG1 3.92Å; L177-I209 HydrophobicContact CG-CG1 4.4Å; I207-I209 HydrophobicContact CG2-CG1 4.39Å; I209-S211 PolarHBondContact O-N 2.86Å; I209-L214 HydrophobicContact CG2-CD2 3.9Å; I209-L214 HydrophobicContact CG2-CG 4.36Å; I209-T242 CarbonylContact O-C 3.51Å; I209-T242 WeakPolarHBondContact O-CA 3.18Å; I209-I243 HydrophobicContact CB-CB 4.5Å; I209-I243 PolarHBondContact N-O 3.43Å; I209-I243 PolarHBondContact O-N 3.4Å; I209-L245 HydrophobicContact CD1-CD1 3.7Å; I209-L245 HydrophobicContact CD1-CG 4.28Å
210	P	51.4	Low	49.3	Very low	19 Å²	19	52.9 Å²	52.9	12%	0.123	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	123.9	175.7	-17.8	29.5	0	0	0	111.2	T176 H212 R213 N241	T176-P210 HydrophobicContact CG2-CG 4.4Å; P210-H212 WeakPolarHBondContact CB-CE1 3.19Å; P210-H212 WeakPolarHBondContact CB-ND1 3.23Å; P210-H212 PolarHBondContact O-N 3.5Å; P210-R213 HydrophobicContact CB-CG 4.02Å; P210-R213 HydrophobicContact CG-CG 4.3Å; P210-R213 WeakPolarHBondContact O-CB 3.42Å; P210-R213 PolarHBondContact O-N 3.17Å; P210-N241 CarbonylContact C-O 3.6Å; P210-N241 VanDerWaalsContact CA-O 3.32Å; P210-N241 WeakPolarHBondContact CA-O 3.39Å
211	S	49.5	Very low	49.2	Very low	23 Å²	23	48.7 Å²	48.7	16%	0.161	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-52	-37.7	179.2	58.5	0	0	0	0	113.4	I209 R213 L214 T217 N241	I209-S211 PolarHBondContact O-N 2.86Å; S211-R213 PolarHBondContact O-N 3.23Å; S211-R213 VanDerWaalsContact O-N 3.09Å; S211-L214 WeakPolarHBondContact O-CB 3.48Å; S211-L214 PolarHBondContact O-N 2.96Å; S211-T217 WeakPolarHBondContact O-CG2 3.37Å; S211-N241 WeakPolarHBondContact CB-O 3.38Å; S211-N241 PolarHBondContact N-O 3.42Å; S211-N241 WeakPolarHBondContact OG-CA 3.49Å; S211-N241 WeakPolarHBondContact OG-CB 3.01Å; S211-N241 PolarHBondContact OG-O 2.94Å
212	H	53.5	Low	49.3	Very low	129 Å²	129	53.3 Å²	53.3	60%	0.597	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-64.1	-13.3	176.8	68.8	-98.1	0	0	0	113.4	P210 L214	P210-H212 WeakPolarHBondContact CB-CE1 3.19Å; P210-H212 WeakPolarHBondContact CB-ND1 3.23Å; P210-H212 PolarHBondContact O-N 3.5Å; H212-L214 VanDerWaalsContact C-N 3.31Å
213	R	47.1	Very low	49.3	Very low	64 Å²	64	51.9 Å²	51.9	24%	0.242	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-83.4	-9.4	173.2	-60.4	-66	-177.3	159.1	-1.6	112.7	Y62 P210 S211	Y62-R213 HydrophobicContact CD1-CB 4.07Å; Y62-R213 HydrophobicContact CD2-CB 3.64Å; Y62-R213 HydrophobicContact CD2-CG 3.88Å; Y62-R213 HydrophobicContact CE1-CB 4.32Å; Y62-R213 HydrophobicContact CE1-CG 4.39Å; Y62-R213 HydrophobicContact CE2-CB 3.82Å; Y62-R213 HydrophobicContact CE2-CG 3.52Å; Y62-R213 HydrophobicContact CG-CB 3.71Å; Y62-R213 HydrophobicContact CG-CG 4.35Å; P210-R213 HydrophobicContact CB-CG 4.02Å; P210-R213 HydrophobicContact CG-CG 4.3Å; P210-R213 WeakPolarHBondContact O-CB 3.42Å; P210-R213 PolarHBondContact O-N 3.17Å; S211-R213 PolarHBondContact O-N 3.23Å; S211-R213 VanDerWaalsContact O-N 3.09Å
214	L	49.2	Very low	49.4	Very low	13 Å²	13	54.9 Å²	54.9	7%	0.068	26%	0.26	C	S	.	.	S	Bend	trans	-102.7	124	-178.7	-48.8	176.8	0	0	0	108.8	A66 I209 S211 H212 N216 T217 L220 I243	A66-L214 HydrophobicContact CB-CB 4.35Å; A66-L214 HydrophobicContact CB-CD2 3.4Å; A66-L214 VanDerWaalsContact CB-CD2 3.4Å; A66-L214 HydrophobicContact CB-CG 4.29Å; I209-L214 HydrophobicContact CG2-CD2 3.9Å; I209-L214 HydrophobicContact CG2-CG 4.36Å; S211-L214 WeakPolarHBondContact O-CB 3.48Å; S211-L214 PolarHBondContact O-N 2.96Å; H212-L214 VanDerWaalsContact C-N 3.31Å; L214-N216 PolarHBondContact O-N 2.91Å; L214-T217 HydrophobicContact CB-CG2 4.1Å; L214-L220 HydrophobicContact CD1-CD1 3.49Å; L214-L220 VanDerWaalsContact CD1-CD1 3.49Å; L214-I243 HydrophobicContact CD1-CD1 3.14Å
215	K	46.4	Very low	49.6	Very low	163 Å²	163	59.4 Å²	59.4	71%	0.709	28%	0.284	S	S	*	.	S	Bend	trans	-62.8	-23.6	179.7	-77.9	176.9	179.3	153	0	114	D63	D63-K215 WeakPolarHBondContact OD1-CD 3.35Å; D63-K215 WeakPolarHBondContact OD2-CE 3.49Å; D63-K215 IonicContact OD2-NZ 2.73Å; D63-K215 PolarHBondContact OD2-NZ 3.46Å
216	N	46.2	Very low	49.6	Very low	76 Å²	76	61.3 Å²	61.3	41%	0.406	30%	0.296	S	S	.	.			trans	-138.5	110.8	177.5	-170.5	0.2	0	0	0	110.6	L214 K218	L214-N216 PolarHBondContact O-N 2.91Å; N216-K218 PolarHBondContact OD1-N 3.4Å
217	T	44.5	Very low	49.4	Very low	41 Å²	41	60.8 Å²	60.8	25%	0.252	29%	0.294	S	S	.	.			trans	-104.9	-2.3	179.4	54	0	0	0	0	113.2	S211 L214 F219 L220 N221	S211-T217 WeakPolarHBondContact O-CG2 3.37Å; L214-T217 HydrophobicContact CB-CG2 4.1Å; T217-F219 PolarHBondContact O-N 2.79Å; T217-L220 WeakPolarHBondContact O-CB 3.44Å; T217-L220 PolarHBondContact O-N 2.89Å; T217-L220 VanDerWaalsContact O-N 3.12Å; T217-N221 PolarHBondContact O-N 2.79Å
218	K	50	Low	49	Very low	153 Å²	153	66.6 Å²	66.6	67%	0.665	32%	0.32	S	S	*	.	H	α-helix	trans	-57.5	-50.6	-174.6	-71.7	-172.1	177.2	-174.8	0	112.2	N216 L220 N221 E222	N216-K218 PolarHBondContact OD1-N 3.4Å; K218-L220 VanDerWaalsContact C-N 3.27Å; K218-L220 PolarHBondContact O-N 2.82Å; K218-N221 PolarHBondContact O-N 2.94Å; K218-E222 PolarHBondContact O-N 3.37Å; K218-E222 VanDerWaalsContact O-N 3.14Å
219	F	46.5	Very low	48.9	Very low	95 Å²	95	74.4 Å²	74.4	42%	0.417	35%	0.353	S	S	.	.	H	α-helix	trans	-62.4	-34.6	178.2	-64.5	-71.3	0	0	0	112.8	T217 E222 S223	T217-F219 PolarHBondContact O-N 2.79Å; F219-E222 PolarHBondContact O-N 2.88Å; F219-S223 WeakPolarHBondContact O-CB 3.23Å; F219-S223 PolarHBondContact O-N 3.11Å; F219-S223 PolarHBondContact O-OG 3.38Å
220	L	46.6	Very low	48.6	Very low	17 Å²	17	78 Å²	78	9%	0.089	37%	0.369	C	S	.	.	H	α-helix	trans	-71.7	-38.8	-179.8	-69	155.2	0	0	0	111.4	V69 I73 L214 T217 K218 S223 F224 I243	V69-L220 HydrophobicContact CG1-CD2 4Å; I73-L220 HydrophobicContact CD1-CD2 3.83Å; L214-L220 HydrophobicContact CD1-CD1 3.49Å; L214-L220 VanDerWaalsContact CD1-CD1 3.49Å; T217-L220 WeakPolarHBondContact O-CB 3.44Å; T217-L220 PolarHBondContact O-N 2.89Å; T217-L220 VanDerWaalsContact O-N 3.12Å; K218-L220 VanDerWaalsContact C-N 3.27Å; K218-L220 PolarHBondContact O-N 2.82Å; L220-S223 PolarHBondContact O-N 2.7Å; L220-F224 VanDerWaalsContact O-CB 3.26Å; L220-F224 WeakPolarHBondContact O-CB 3.35Å; L220-F224 PolarHBondContact O-N 2.82Å; L220-I243 HydrophobicContact CB-CD1 4.09Å; L220-I243 HydrophobicContact CD1-CD1 3.37Å; L220-I243 HydrophobicContact CD2-CD1 3.8Å; L220-I243 HydrophobicContact CD2-CG1 4.26Å; L220-I243 HydrophobicContact CG-CD1 3.91Å
221	N	48.2	Very low	48.1	Very low	91 Å²	91	77.6 Å²	77.6	49%	0.487	37%	0.366	S	S	.	.	H	α-helix	trans	-64.4	-40.9	174	-69.8	-11.6	0	0	0	111.5	T217 K218 F224 N225	T217-N221 PolarHBondContact O-N 2.79Å; K218-N221 PolarHBondContact O-N 2.94Å; N221-F224 PolarHBondContact O-N 3.41Å; N221-N225 VanDerWaalsContact O-CG 3.28Å; N221-N225 PolarHBondContact O-N 2.97Å; N221-N225 PolarHBondContact O-ND2 3.41Å
222	E	47.7	Very low	48	Very low	120 Å²	120	81.4 Å²	81.4	56%	0.561	39%	0.39	S	S	*	.	H	α-helix	trans	-63.5	-47.7	175.1	-72.2	174.7	-177	0	0	111.4	K218 F219 F224 N225 V226	K218-E222 PolarHBondContact O-N 3.37Å; K218-E222 VanDerWaalsContact O-N 3.14Å; F219-E222 PolarHBondContact O-N 2.88Å; E222-F224 VanDerWaalsContact C-N 3.28Å; E222-F224 PolarHBondContact O-N 2.93Å; E222-N225 PolarHBondContact O-N 3.18Å; E222-V226 WeakPolarHBondContact O-CG2 3.46Å; E222-V226 PolarHBondContact O-N 3.19Å
223	S	45.9	Very low	47.6	Very low	9 Å²	9	82.1 Å²	82.1	6%	0.063	40%	0.398	C	S	.	.	H	α-helix	trans	-60.9	-38	177.2	-53.4	0	0	0	0	112.1	I73 C77 F219 L220 V226 Y227	I73-S223 WeakPolarHBondContact CG2-OG 3.39Å; C77-S223 PolarHBondContact SG-OG 3.27Å; F219-S223 WeakPolarHBondContact O-CB 3.23Å; F219-S223 PolarHBondContact O-N 3.11Å; F219-S223 PolarHBondContact O-OG 3.38Å; L220-S223 PolarHBondContact O-N 2.7Å; S223-V226 PolarHBondContact O-N 3.33Å; S223-Y227 PolarHBondContact O-N 3.03Å
224	F	50.1	Low	47.4	Very low	75 Å²	75	80.1 Å²	80.1	33%	0.329	39%	0.393	S	S	.	.	H	α-helix	trans	-67	-44.7	175.6	174.5	-101.4	0	0	0	112.4	L220 N221 E222 V226 Y227 K228 P238	L220-F224 VanDerWaalsContact O-CB 3.26Å; L220-F224 WeakPolarHBondContact O-CB 3.35Å; L220-F224 PolarHBondContact O-N 2.82Å; N221-F224 PolarHBondContact O-N 3.41Å; E222-F224 VanDerWaalsContact C-N 3.28Å; E222-F224 PolarHBondContact O-N 2.93Å; F224-V226 PolarHBondContact O-N 2.77Å; F224-Y227 PolarHBondContact O-N 2.96Å; F224-Y227 VanDerWaalsContact O-N 3.16Å; F224-K228 HydrophobicContact CE1-CD 4.28Å; F224-K228 HydrophobicContact CZ-CB 4.47Å; F224-K228 HydrophobicContact CZ-CD 4.31Å; F224-K228 WeakPolarHBondContact O-CB 3.37Å; F224-K228 PolarHBondContact O-N 2.87Å; F224-P238 HydrophobicContact CD2-CG 3.94Å; F224-P238 HydrophobicContact CE2-CG 3.3Å; F224-P238 HydrophobicContact CZ-CG 4.03Å
225	N	51.6	Low	47	Very low	105 Å²	105	85.9 Å²	85.9	56%	0.561	43%	0.429	S	S	*	.	H	α-helix	trans	-60.4	-38.5	176.6	-73.6	-22.8	0	0	0	111.1	N221 E222 K229	N221-N225 VanDerWaalsContact O-CG 3.28Å; N221-N225 PolarHBondContact O-N 2.97Å; N221-N225 PolarHBondContact O-ND2 3.41Å; E222-N225 PolarHBondContact O-N 3.18Å; N225-K229 VanDerWaalsContact O-CB 3.3Å; N225-K229 WeakPolarHBondContact O-CB 3.3Å; N225-K229 PolarHBondContact O-N 3.12Å
226	V	50.5	Low	46.7	Very low	45 Å²	45	79.4 Å²	79.4	27%	0.273	40%	0.404	S	S	.	.	H	α-helix	trans	-63.6	-49.6	172.9	172.8	0	0	0	0	110.7	I80 E222 S223 F224 K228 K229 H230	I80-V226 HydrophobicContact CB-CG1 4.36Å; I80-V226 HydrophobicContact CD1-CG1 3.68Å; I80-V226 HydrophobicContact CG2-CG1 3.64Å; E222-V226 WeakPolarHBondContact O-CG2 3.46Å; E222-V226 PolarHBondContact O-N 3.19Å; S223-V226 PolarHBondContact O-N 3.33Å; F224-V226 PolarHBondContact O-N 2.77Å; V226-K228 PolarHBondContact O-N 2.88Å; V226-K229 WeakPolarHBondContact O-CB 3.26Å; V226-K229 PolarHBondContact O-N 3.01Å; V226-K229 VanDerWaalsContact O-N 3.15Å; V226-H230 PolarHBondContact O-CD2 3.15Å; V226-H230 PolarHBondContact O-N 2.95Å
227	Y	47.1	Very low	46.2	Very low	27 Å²	27	85 Å²	85	11%	0.106	42%	0.421	C	S	.	.	H	α-helix	trans	-56.9	-49.7	176.7	179.8	-96.9	0	0	0	112.3	D95 W98 S223 F224 K229 H230 N231 S234	D95-Y227 PolarHBondContact OD1-OH 3.19Å; W98-Y227 AromaticContact CD2-CD2 3.97Å; W98-Y227 HydrophobicContact CD2-CD2 3.97Å; W98-Y227 HydrophobicContact CD2-CE2 4.14Å; W98-Y227 AromaticContact CE2-CD2 3.73Å; W98-Y227 HydrophobicContact CE3-CD2 4.48Å; W98-Y227 HydrophobicContact CG-CD2 4.29Å; W98-Y227 HydrophobicContact CG-CE2 4.11Å; W98-Y227 HydrophobicContact CZ2-CD2 4.06Å; W98-Y227 HydrophobicContact CZ2-CG 4.39Å; W98-Y227 AromaticContact NE1-CD2 3.9Å; S223-Y227 PolarHBondContact O-N 3.03Å; F224-Y227 PolarHBondContact O-N 2.96Å; F224-Y227 VanDerWaalsContact O-N 3.16Å; Y227-K229 PolarHBondContact O-N 3.15Å; Y227-H230 CarbonylContact O-C 3.48Å; Y227-H230 PolarHBondContact O-N 3.45Å; Y227-N231 HydrophobicContact CE1-CB 4.1Å; Y227-N231 HydrophobicContact CE2-CB 4.2Å; Y227-N231 WeakPolarHBondContact CE2-ND2 3.41Å; Y227-N231 PolarHBondContact O-N 3.11Å; Y227-N231 PolarHBondContact OH-ND2 3.43Å; Y227-S234 PolarHBondContact OH-OG 2.67Å
228	K	48.2	Very low	45.9	Very low	124 Å²	124	84.6 Å²	84.6	54%	0.539	42%	0.419	S	S	.	.	H	α-helix	trans	-61	-34.4	178.3	-171.1	179.8	179.7	-174.4	0	112.1	F224 V226 H230 N231	F224-K228 HydrophobicContact CE1-CD 4.28Å; F224-K228 HydrophobicContact CZ-CB 4.47Å; F224-K228 HydrophobicContact CZ-CD 4.31Å; F224-K228 WeakPolarHBondContact O-CB 3.37Å; F224-K228 PolarHBondContact O-N 2.87Å; V226-K228 PolarHBondContact O-N 2.88Å; K228-H230 VanDerWaalsContact C-N 3.34Å; K228-N231 CarbonylContact O-C 3.32Å
229	K	51.8	Low	45.3	Very low	172 Å²	172	83 Å²	83	75%	0.748	42%	0.418	S	S	*	.	H	α-helix	trans	-66.7	-35.7	174.8	-170.5	-178.3	-179.9	-175.1	0	112	N225 V226 Y227	N225-K229 VanDerWaalsContact O-CB 3.3Å; N225-K229 WeakPolarHBondContact O-CB 3.3Å; N225-K229 PolarHBondContact O-N 3.12Å; V226-K229 WeakPolarHBondContact O-CB 3.26Å; V226-K229 PolarHBondContact O-N 3.01Å; V226-K229 VanDerWaalsContact O-N 3.15Å; Y227-K229 PolarHBondContact O-N 3.15Å
230	H	47.8	Very low	44.9	Very low	77 Å²	77	88.7 Å²	88.7	36%	0.356	44%	0.442	S	S	.	.	H	α-helix	trans	-87.7	-27.7	179.6	-69.5	-68.8	0	0	0	113.8	V226 Y227 K228 P232	V226-H230 PolarHBondContact O-CD2 3.15Å; V226-H230 PolarHBondContact O-N 2.95Å; Y227-H230 CarbonylContact O-C 3.48Å; Y227-H230 PolarHBondContact O-N 3.45Å; K228-H230 VanDerWaalsContact C-N 3.34Å; H230-P232 WeakPolarHBondContact O-CD 3.48Å
231	N	41.3	Very low	44.6	Very low	10 Å²	10	92.8 Å²	92.8	5%	0.053	46%	0.464	C	S	.	.			trans	-126.4	68.7	179.7	-86.3	-11.9	0	0	0	111.6	V93 Y227 K228 L233 S234	V93-N231 PolarHBondContact O-ND2 2.84Å; V93-N231 VanDerWaalsContact O-ND2 3.08Å; Y227-N231 HydrophobicContact CE1-CB 4.1Å; Y227-N231 HydrophobicContact CE2-CB 4.2Å; Y227-N231 WeakPolarHBondContact CE2-ND2 3.41Å; Y227-N231 PolarHBondContact O-N 3.11Å; Y227-N231 PolarHBondContact OH-ND2 3.43Å; K228-N231 CarbonylContact O-C 3.32Å; N231-L233 PolarHBondContact O-N 3.11Å; N231-S234 PolarHBondContact O-N 3.21Å
232	P	48	Very low	44.2	Very low	103 Å²	103	89.6 Å²	89.6	67%	0.669	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-22.2	-177.4	26.4	-34.5	0	0	0	113.8	H230	H230-P232 WeakPolarHBondContact O-CD 3.48Å
233	L	44.9	Very low	44.3	Very low	145 Å²	145	85.3 Å²	85.3	76%	0.759	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-4.7	-179.3	-70.7	167.9	0	0	0	113.9	N231 T235	N231-L233 PolarHBondContact O-N 3.11Å; L233-T235 PolarHBondContact O-N 3.44Å
234	S	42.5	Very low	44.1	Very low	21 Å²	21	85.6 Å²	85.6	15%	0.147	43%	0.431	C	S	.	.			trans	-65.5	109.4	-179.2	-166	0	0	0	0	109.8	Y227 N231 S236	Y227-S234 PolarHBondContact OH-OG 2.67Å; N231-S234 PolarHBondContact O-N 3.21Å; S234-S236 PolarHBondContact O-N 2.94Å; S234-S236 PolarHBondContact OG-OG 3.3Å
235	T	41.1	Very low	44.1	Very low	134 Å²	134	82.2 Å²	82.2	82%	0.822	42%	0.416	S	S	*	.			trans	-73.9	-3.6	174.1	56.8	0	0	0	0	112.2	L233 Y237	L233-T235 PolarHBondContact O-N 3.44Å; T235-Y237 PolarHBondContact O-N 2.95Å
236	S	40.5	Very low	43.6	Very low	27 Å²	27	78.4 Å²	78.4	19%	0.189	40%	0.395	C	S	.	.			trans	-68.9	61.9	168.5	76.6	0	0	0	0	109.7	S234 P238	S234-S236 PolarHBondContact O-N 2.94Å; S234-S236 PolarHBondContact OG-OG 3.3Å; S236-P238 WeakPolarHBondContact O-CD 3.35Å
237	Y	35	Very low	43.1	Very low	195 Å²	195	76.3 Å²	76.3	77%	0.765	38%	0.383	S	S	*	.			trans	-48.7	110.2	162.8	-92	-89.6	0	0	0	106.1	R206 T235 L239	R206-Y237 PolarHBondContact NH2-O 2.73Å; T235-Y237 PolarHBondContact O-N 2.95Å; Y237-L239 PolarHBondContact O-N 3.45Å
238	P	38.6	Very low	42.4	Very low	32 Å²	32	76.6 Å²	76.6	21%	0.208	39%	0.385	C	S	.	.			trans	-64.4	134.3	158.8	13	0.5	0	0	0	103.4	F224 S236 K240 T242	F224-P238 HydrophobicContact CD2-CG 3.94Å; F224-P238 HydrophobicContact CE2-CG 3.3Å; F224-P238 HydrophobicContact CZ-CG 4.03Å; S236-P238 WeakPolarHBondContact O-CD 3.35Å; P238-K240 PolarHBondContact O-N 3.13Å; P238-K240 VanDerWaalsContact O-N 3.12Å; P238-T242 VanDerWaalsContact CB-O 3.27Å; P238-T242 WeakPolarHBondContact CB-O 3.29Å
239	L	37.1	Very low	41.6	Very low	120 Å²	120	71 Å²	71	63%	0.628	36%	0.361	S	S	*	.			trans	-47.1	133.5	166	-66.7	128.4	0	0	0	105.4	Y237 N241 T242	Y237-L239 PolarHBondContact O-N 3.45Å; L239-N241 CarbonylContact O-C 3.55Å; L239-N241 PolarHBondContact O-N 3.15Å; L239-T242 HydrophobicContact CB-CG2 4Å; L239-T242 WeakPolarHBondContact CB-OG1 3.27Å; L239-T242 HydrophobicContact CD1-CG2 4.01Å; L239-T242 PolarHBondContact N-OG1 3.34Å; L239-T242 PolarHBondContact O-N 3.28Å; L239-T242 PolarHBondContact O-OG1 3.46Å
240	K	37.7	Very low	40.6	Very low	213 Å²	213	65 Å²	65	93%	0.926	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.9	-11.8	-174.1	-105.3	178.1	174.7	178.5	0	114.6	P238	P238-K240 PolarHBondContact O-N 3.13Å; P238-K240 VanDerWaalsContact O-N 3.12Å
241	N	40	Very low	39.7	Very low	104 Å²	104	64.7 Å²	64.7	56%	0.556	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126	23.7	-179.6	-57.5	-30.9	0	0	0	114.1	P210 S211 L239	P210-N241 CarbonylContact C-O 3.6Å; P210-N241 VanDerWaalsContact CA-O 3.32Å; P210-N241 WeakPolarHBondContact CA-O 3.39Å; S211-N241 WeakPolarHBondContact CB-O 3.38Å; S211-N241 PolarHBondContact N-O 3.42Å; S211-N241 WeakPolarHBondContact OG-CA 3.49Å; S211-N241 WeakPolarHBondContact OG-CB 3.01Å; S211-N241 PolarHBondContact OG-O 2.94Å; L239-N241 CarbonylContact O-C 3.55Å; L239-N241 PolarHBondContact O-N 3.15Å
242	T	41.1	Very low	38.9	Very low	23 Å²	23	67.4 Å²	67.4	14%	0.141	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	138	177.7	62	0	0	0	0	113.2	I209 P238 L239	I209-T242 CarbonylContact O-C 3.51Å; I209-T242 WeakPolarHBondContact O-CA 3.18Å; P238-T242 VanDerWaalsContact CB-O 3.27Å; P238-T242 WeakPolarHBondContact CB-O 3.29Å; L239-T242 HydrophobicContact CB-CG2 4Å; L239-T242 WeakPolarHBondContact CB-OG1 3.27Å; L239-T242 HydrophobicContact CD1-CG2 4.01Å; L239-T242 PolarHBondContact N-OG1 3.34Å; L239-T242 PolarHBondContact O-N 3.28Å; L239-T242 PolarHBondContact O-OG1 3.46Å
243	I	48.6	Very low	37.8	Very low	30 Å²	30	68 Å²	68	15%	0.154	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	119.5	167.9	-72.7	140.9	0	0	0	108.8	V69 S208 I209 L214 L220 L245	V69-I243 HydrophobicContact CG1-CG2 4.5Å; S208-I243 CarbonylContact C-O 3.57Å; S208-I243 VanDerWaalsContact CA-O 3.3Å; S208-I243 WeakPolarHBondContact CA-O 3.37Å; I209-I243 HydrophobicContact CB-CB 4.5Å; I209-I243 PolarHBondContact N-O 3.43Å; I209-I243 PolarHBondContact O-N 3.4Å; L214-I243 HydrophobicContact CD1-CD1 3.14Å; L220-I243 HydrophobicContact CB-CD1 4.09Å; L220-I243 HydrophobicContact CD1-CD1 3.37Å; L220-I243 HydrophobicContact CD2-CD1 3.8Å; L220-I243 HydrophobicContact CD2-CG1 4.26Å; L220-I243 HydrophobicContact CG-CD1 3.91Å; I243-L245 HydrophobicContact CG2-CD2 4.17Å; I243-L245 HydrophobicContact CG2-CG 4.5Å
244	S	43.4	Very low	36.9	Very low	16 Å²	16	64.1 Å²	64.1	11%	0.112	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	116.2	172.8	-62.4	0	0	0	0	109.9	R206 I207 S208	R206-S244 PolarHBondContact NE-OG 2.67Å; R206-S244 PolarHBondContact NH2-OG 2.77Å; I207-S244 CarbonylContact O-C 3.5Å; I207-S244 WeakPolarHBondContact O-CA 3.23Å; S208-S244 PolarHBondContact OG-OG 2.62Å
245	L	49.5	Very low	36	Very low	3 Å²	3	69 Å²	69	2%	0.016	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	115.8	163.4	-56.2	175.1	0	0	0	107.1	I65 V69 L99 F104 R206 I207 I209 I243	I65-L245 HydrophobicContact CG2-CD1 4.15Å; V69-L245 HydrophobicContact CB-CD2 4.41Å; V69-L245 HydrophobicContact CG1-CD2 4Å; V69-L245 HydrophobicContact CG2-CD1 3.74Å; V69-L245 HydrophobicContact CG2-CD2 3.48Å; V69-L245 VanDerWaalsContact CG2-CD2 3.48Å; V69-L245 HydrophobicContact CG2-CG 4.19Å; L99-L245 HydrophobicContact CD1-CB 4.48Å; L99-L245 HydrophobicContact CD1-CD2 3.46Å; L99-L245 VanDerWaalsContact CD1-CD2 3.46Å; F104-L245 HydrophobicContact CD2-CD1 4.45Å; F104-L245 HydrophobicContact CE1-CD1 3.74Å; F104-L245 HydrophobicContact CE2-CD1 3.53Å; F104-L245 HydrophobicContact CZ-CD1 3.16Å; R206-L245 CarbonylContact C-O 3.46Å; R206-L245 WeakPolarHBondContact CA-O 3.49Å; I207-L245 HydrophobicContact CB-CB 4.39Å; I207-L245 PolarHBondContact N-O 2.75Å; I207-L245 PolarHBondContact O-N 2.98Å; I209-L245 HydrophobicContact CD1-CD1 3.7Å; I209-L245 HydrophobicContact CD1-CG 4.28Å; I243-L245 HydrophobicContact CG2-CD2 4.17Å; I243-L245 HydrophobicContact CG2-CG 4.5Å
246	I	41.1	Very low	35.3	Very low	25 Å²	25	72 Å²	72	13%	0.128	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	137.6	173.1	-57.1	-179.9	0	0	0	106.3	V204 R206	V204-I246 HydrophobicContact CG1-CG2 3.36Å; R206-I246 HydrophobicContact CG-CG1 4.27Å
247	G	39.8	Very low	34.7	Very low	1 Å²	1	85.8 Å²	85.8	1%	0.01	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	129.4	166.7	0	0	0	0	0	109.8	L205 C249	L205-G247 PolarHBondContact N-O 3.02Å; L205-G247 PolarHBondContact O-N 3.26Å; G247-C249 PolarHBondContact O-N 3.45Å
248	H	33	Very low	34.7	Very low	34 Å²	34	80.4 Å²	80.4	16%	0.157	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	125	174.9	-62.8	-94.9	0	0	0	108.1	E96 V204	E96-H248 WeakPolarHBondContact CA-NE2 2.98Å; E96-H248 IonicContact OE1-CE1 3.12Å; E96-H248 PolarHBondContact OE1-CE1 2.89Å; E96-H248 IonicContact OE1-ND1 3.66Å; E96-H248 PolarHBondContact OE1-ND1 3.05Å; E96-H248 IonicContact OE2-CE1 2.88Å; E96-H248 PolarHBondContact OE2-CE1 2.93Å; E96-H248 VanDerWaalsContact OE2-CE1 3.27Å; E96-H248 IonicContact OE2-CG 3.94Å; E96-H248 IonicContact OE2-ND1 3.01Å; E96-H248 PolarHBondContact OE2-ND1 2.82Å; E96-H248 IonicContact OE2-NE2 2.94Å; V204-H248 WeakPolarHBondContact CG2-ND1 3.39Å
249	C	31.6	Very low	34.5	Very low	6 Å²	6	82.9 Å²	82.9	4%	0.041	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	105.5	174.8	-72.6	0	0	0	0	109.1	I203 L205 G247 Y251	I203-C249 CarbonylContact O-C 3.32Å; I203-C249 VanDerWaalsContact O-C 3.32Å; I203-C249 PolarHBondContact O-N 3.43Å; L205-C249 HydrophobicContact CD1-CB 3.98Å; L205-C249 WeakPolarHBondContact CD1-SG 3.22Å; L205-C249 HydrophobicContact CG-CB 3.75Å; L205-C249 WeakPolarHBondContact CG-SG 3.35Å; G247-C249 PolarHBondContact O-N 3.45Å; C249-Y251 HydrophobicContact CB-CD2 3.73Å; C249-Y251 HydrophobicContact CB-CE2 3.65Å; C249-Y251 PolarHBondContact O-N 3.17Å
250	D	30.9	Very low	34.3	Very low	47 Å²	47	80.8 Å²	80.8	25%	0.251	41%	0.411	S	S	.	.			trans	-68	84.3	168.5	-66.6	-25.3	0	0	0	109.6	R155 N157 S252	R155-D250 WeakPolarHBondContact O-CB 3.47Å; N157-D250 PolarHBondContact N-OD2 2.77Å; D250-S252 VanDerWaalsContact C-N 3.3Å; D250-S252 PolarHBondContact O-N 3.25Å; D250-S252 VanDerWaalsContact O-N 3.15Å
251	Y	27.6	Very low	34.1	Very low	69 Å²	69	73.1 Å²	73.1	27%	0.271	38%	0.381	S	S	.	.			trans	-80.6	82.6	164.3	-79.7	-83.5	0	0	0	108.5	P152 I203 L205 C249 V253	P152-Y251 HydrophobicContact CB-CE1 4.47Å; P152-Y251 HydrophobicContact CG-CE1 3.47Å; P152-Y251 VanDerWaalsContact CG-CE1 3.47Å; P152-Y251 WeakPolarHBondContact CG-OH 3.32Å; I203-Y251 HydrophobicContact CB-CD2 4.27Å; I203-Y251 HydrophobicContact CD1-CD2 4.43Å; I203-Y251 HydrophobicContact CD1-CG 4.47Å; I203-Y251 HydrophobicContact CG2-CD2 4.31Å; L205-Y251 HydrophobicContact CD1-CE2 4.11Å; L205-Y251 HydrophobicContact CD2-CE2 4.12Å; L205-Y251 HydrophobicContact CG-CE2 4.31Å; C249-Y251 HydrophobicContact CB-CD2 3.73Å; C249-Y251 HydrophobicContact CB-CE2 3.65Å; C249-Y251 PolarHBondContact O-N 3.17Å; Y251-V253 PolarHBondContact O-N 3.49Å
252	S	24.7	Very low	33.8	Very low	68 Å²	68	71.1 Å²	71.1	48%	0.476	37%	0.37	S	S	.	.			trans	-76.8	104.3	148.1	57.2	0	0	0	0	106.3	D250 G254	D250-S252 VanDerWaalsContact C-N 3.3Å; D250-S252 PolarHBondContact O-N 3.25Å; D250-S252 VanDerWaalsContact O-N 3.15Å; S252-G254 PolarHBondContact O-N 2.8Å
253	V	24.7	Very low	33.3	Very low	116 Å²	116	74.3 Å²	74.3	70%	0.703	39%	0.385	S	S	*	.			trans	-69.6	74.9	165.2	-173.6	0	0	0	0	106.4	Y251 T255	Y251-V253 PolarHBondContact O-N 3.49Å; V253-T255 HydrophobicContact CG1-CG2 4.4Å; V253-T255 PolarHBondContact O-N 2.88Å
254	G	26	Very low	32.2	Very low	63 Å²	63	77.5 Å²	77.5	65%	0.649	40%	0.401	S	S	*	.			trans	-67.8	88.7	164.3	0	0	0	0	0	107	S252 K256	S252-G254 PolarHBondContact O-N 2.8Å; G254-K256 PolarHBondContact O-N 3.33Å
255	T	23.8	Very low	31.3	Very low	123 Å²	123	82.2 Å²	82.2	76%	0.755	42%	0.424	S	S	*	.			trans	-54.6	89.3	158.1	35.3	0	0	0	0	107.6	V253 R257	V253-T255 HydrophobicContact CG1-CG2 4.4Å; V253-T255 PolarHBondContact O-N 2.88Å; T255-R257 PolarHBondContact O-N 3.27Å
256	K	26.7	Very low	29.8	Very low	196 Å²	196	88.8 Å²	88.8	85%	0.852	46%	0.458	S	S	*	.			trans	-69.3	116.1	157.4	-79.3	-166.7	173.8	-170	0	106.2	G254	G254-K256 PolarHBondContact O-N 3.33Å
257	R	28.1	Very low	28.8	Very low	318 Å²	318	94.6 Å²	94.6	100%	1.2	49%	0.488	S	S	*	.			trans	-40.3	0	174.4	-72.2	176.3	173.9	173	-2.8	113.1	T255	T255-R257 PolarHBondContact O-N 3.27Å

Retrieved 257 of 257 residues in 178.9 ms (Link to these results)

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