A0A087Y557_POEFO Loading...

NAD(P)(+)--arginine ADP-ribosyltransferase

AlphaFold DB , UniProt , Accession A0A087Y557, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 274 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.8	Very low	35.5	Very low	237 Å²	237	163.3 Å²	163.3	100%	1.167	80%	0.802	S	S	*	*				0	85.5	0	-89.9	161.9	67.1	0	0	108.9
2	L	34	Very low	35	Very low	179 Å²	179	162.8 Å²	162.8	94%	0.937	80%	0.8	S	S	*	*			trans	-94.1	96.1	179.4	-86.9	143.2	0	0	0	108.1	N4	L2-N4 PolarHBondContact O-N 3.04Å
3	L	36.2	Very low	34.8	Very low	169 Å²	169	157.4 Å²	157.4	89%	0.885	80%	0.797	S	S	*	*			trans	-75.3	121	170.7	-132.1	79.4	0	0	0	108.5	K5	L3-K5 PolarHBondContact O-N 3.27Å
4	N	36.9	Very low	35.1	Very low	119 Å²	119	156.1 Å²	156.1	64%	0.636	79%	0.792	S	S	*	*			trans	-70.7	112	-165.9	-153.7	-12.4	0	0	0	111.1	L2 K6 F7	L2-N4 PolarHBondContact O-N 3.04Å; N4-K6 PolarHBondContact O-N 3.27Å; N4-F7 PolarHBondContact O-N 2.77Å
5	K	41.3	Very low	35	Very low	190 Å²	190	155.7 Å²	155.7	83%	0.826	79%	0.79	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.8	7.8	177.3	-78.3	-176.9	174.7	-179.6	0	115.1	L3	L3-K5 PolarHBondContact O-N 3.27Å
6	K	38.5	Very low	35.1	Very low	165 Å²	165	153.8 Å²	153.8	72%	0.717	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88	-9.8	178	-72.8	-173.8	173.7	-176.5	0	114.5	N4	N4-K6 PolarHBondContact O-N 3.27Å
7	F	36.6	Very low	34.9	Very low	171 Å²	171	158 Å²	158	75%	0.75	79%	0.785	S	S	*	*	S	Bend	trans	-92.7	-7.1	-178.5	-103.4	-89.6	0	0	0	115.4	N4	N4-F7 PolarHBondContact O-N 2.77Å
8	L	32.6	Very low	34.8	Very low	135 Å²	135	156.4 Å²	156.4	71%	0.707	79%	0.786	S	S	*	*	S	Bend	trans	-93.6	-6.6	-178.8	-144.7	74.1	0	0	0	114.1
9	F	32.2	Very low	34.6	Very low	176 Å²	176	154.5 Å²	154.5	77%	0.772	78%	0.777	S	S	*	*	S	Bend	trans	-95.5	-6.3	179.1	-89.4	-84	0	0	0	114.4
10	V	34.7	Very low	34.6	Very low	112 Å²	112	151.5 Å²	151.5	68%	0.679	78%	0.777	S	S	*	*	S	Bend	trans	-92.1	-9.3	-177.6	-177.6	0	0	0	0	112.5
11	L	29.1	Very low	34.5	Very low	143 Å²	143	150.6 Å²	150.6	75%	0.749	77%	0.773	S	S	*	*	S	Bend	trans	-109.9	6.3	-176.2	-87.7	152.1	0	0	0	115.1
12	M	29	Very low	34.1	Very low	158 Å²	158	143.9 Å²	143.9	78%	0.778	75%	0.747	S	S	*	*	S	Bend	trans	-109.2	19	175.1	-77	-155.9	-92.2	0	0	114.4
13	A	32.3	Very low	34.2	Very low	92 Å²	92	140.7 Å²	140.7	76%	0.76	74%	0.74	S	S	*	*	S	Bend	trans	-104.7	9.3	172.8	0	0	0	0	0	113.5
14	I	39.1	Very low	34.4	Very low	140 Å²	140	135.4 Å²	135.4	72%	0.718	72%	0.717	S	S	*	*	S	Bend	trans	-128.9	87.1	175.1	-54.1	172.7	0	0	0	105.6
15	I	34	Very low	34.6	Very low	150 Å²	150	132.9 Å²	132.9	77%	0.769	72%	0.719	S	S	*	*	S	Bend	trans	179.2	111.3	154.8	-90.2	149.5	0	0	0	107.9
16	I	36.2	Very low	35	Very low	124 Å²	124	125.3 Å²	125.3	64%	0.636	69%	0.69	S	S	*	*			trans	63.2	96.7	152.7	-49	164.1	0	0	0	117.2
17	W	31.6	Very low	34.8	Very low	226 Å²	226	122.6 Å²	122.6	86%	0.856	68%	0.679	S	S	*	*				-128.5	83.1	122.8	-80.1	68	0	0	0	108	L19	W17-L19 HydrophobicContact CE3-CD1 3.39Å; W17-L19 HydrophobicContact CE3-CG 3.66Å; W17-L19 HydrophobicContact CZ3-CD1 3.69Å; W17-L19 HydrophobicContact CZ3-CG 4.19Å; W17-L19 PolarHBondContact O-N 3.32Å
18	T	32.9	Very low	35	Very low	130 Å²	130	117.6 Å²	117.6	80%	0.798	66%	0.66	S	S	*	*			trans	-68.8	69.4	150.8	45.5	0	0	0	0	107.7
19	L	32.6	Very low	35.1	Very low	120 Å²	120	113.1 Å²	113.1	63%	0.628	65%	0.646	S	S	*	*			trans	-80.1	115.7	147.4	-78.2	175.4	0	0	0	104.7	W17 L21	W17-L19 HydrophobicContact CE3-CD1 3.39Å; W17-L19 HydrophobicContact CE3-CG 3.66Å; W17-L19 HydrophobicContact CZ3-CD1 3.69Å; W17-L19 HydrophobicContact CZ3-CG 4.19Å; W17-L19 PolarHBondContact O-N 3.32Å; L19-L21 PolarHBondContact O-N 2.92Å
20	A	33.4	Very low	35.1	Very low	93 Å²	93	109.2 Å²	109.2	77%	0.769	65%	0.646	S	S	*	*			trans	-51	98.2	155.1	0	0	0	0	0	106.3	P22	A20-P22 VanDerWaalsContact O-CD 3.28Å; A20-P22 WeakPolarHBondContact O-CD 2.97Å
21	L	32.3	Very low	35.1	Very low	133 Å²	133	112.3 Å²	112.3	70%	0.696	66%	0.658	S	S	*	*			trans	-52.3	116.9	157.9	-81	162.8	0	0	0	103.7	L19 S23	L19-L21 PolarHBondContact O-N 2.92Å; L21-S23 PolarHBondContact O-N 2.79Å
22	P	30.2	Very low	35.1	Very low	97 Å²	97	109.5 Å²	109.5	63%	0.63	66%	0.655	S	S	*	*			trans	-51.9	134.3	175.5	19.3	-27.8	0	0	0	106.5	A20 S24	A20-P22 VanDerWaalsContact O-CD 3.28Å; A20-P22 WeakPolarHBondContact O-CD 2.97Å; P22-S24 PolarHBondContact O-N 2.69Å; P22-S24 PolarHBondContact O-OG 2.87Å
23	S	36	Very low	35.2	Very low	111 Å²	111	108 Å²	108	78%	0.776	66%	0.658	S	S	*	*	S	Bend	trans	-60.9	29.8	-176.4	44.4	0	0	0	0	114.4	L21 G25	L21-S23 PolarHBondContact O-N 2.79Å; S23-G25 PolarHBondContact O-N 2.85Å
24	S	41.2	Very low	35.3	Very low	59 Å²	59	112.9 Å²	112.9	41%	0.413	67%	0.665	S	S	.	*	G	3₁₀ helix	trans	-58.7	-4	-176.5	-35.8	0	0	0	0	114.4	P22 C26	P22-S24 PolarHBondContact O-N 2.69Å; P22-S24 PolarHBondContact O-OG 2.87Å; S24-C26 PolarHBondContact O-N 3.18Å; S24-C26 VanDerWaalsContact O-N 3.13Å
25	G	40.5	Very low	35.3	Very low	65 Å²	65	112.7 Å²	112.7	67%	0.67	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-67.2	-7.1	-179.7	0	0	0	0	0	115	S23 C167	S23-G25 PolarHBondContact O-N 2.85Å; G25-C167 VanDerWaalsContact C-SG 3.54Å; G25-C167 PolarHBondContact O-SG 2.96Å
26	C	50.8	Low	35.3	Very low	31 Å²	31	114.5 Å²	114.5	21%	0.209	66%	0.663	C	S	.	*	G	3₁₀ helix	trans	-117.9	19.5	-175.3	-62.7	0	0	0	0	114.8	S24 I28 F40 C167	S24-C26 PolarHBondContact O-N 3.18Å; S24-C26 VanDerWaalsContact O-N 3.13Å; C26-I28 PolarHBondContact O-N 3.26Å; C26-F40 HydrophobicContact CB-CD2 4.44Å; C26-F40 HydrophobicContact CB-CE1 4.49Å; C26-F40 HydrophobicContact CB-CE2 3.46Å; C26-F40 VanDerWaalsContact CB-CE2 3.46Å; C26-F40 HydrophobicContact CB-CZ 3.5Å; C26-F40 WeakPolarHBondContact O-CE1 3.34Å; C26-F40 WeakPolarHBondContact O-CZ 2.87Å; C26-C167 WeakPolarHBondContact CA-SG 3.28Å; C26-C167 HydrophobicContact CB-CB 4.15Å; C26-C167 WeakPolarHBondContact CB-SG 3.39Å; C26-C167 WeakPolarHBondContact SG-CA 3.4Å; C26-C167 WeakPolarHBondContact SG-CB 3.47Å; C26-C167 CovalentContact SG-SG 2.05Å; C26-C167 PolarHBondContact SG-SG 3.42Å
27	H	33.5	Very low	36.2	Very low	108 Å²	108	114.9 Å²	114.9	50%	0.5	68%	0.677	S	S	.	*			trans	-91	104.1	176.9	-70.8	-56.6	0	0	0	112.5	K122	H27-K122 HydrophobicContact CB-CD 4.44Å
28	I	41.8	Very low	37.7	Very low	67 Å²	67	106.4 Å²	106.4	34%	0.344	66%	0.659	S	S	.	*			trans	-100.6	141.8	148.3	-49.2	-176.8	0	0	0	105.3	C26 F40	C26-I28 PolarHBondContact O-N 3.26Å; I28-F40 HydrophobicContact CD1-CB 4.44Å
29	G	34.2	Very low	39.8	Very low	40 Å²	40	100.9 Å²	100.9	41%	0.412	63%	0.626	S	S	.	*			trans	-73	-172.8	-148.3	0	0	0	0	0	121.2	T126	G29-T126 VanDerWaalsContact CA-CG2 3.42Å
30	A	31.1	Very low	42.4	Very low	95 Å²	95	96.9 Å²	96.9	79%	0.785	60%	0.604	S	S	*	*			trans	-47.7	147.1	-161	0	0	0	0	0	121.5
31	L	35.8	Very low	45.2	Very low	177 Å²	177	95.7 Å²	95.7	93%	0.927	59%	0.588	S	S	*	*			trans	53.8	81.5	144.4	-67.4	164.7	0	0	0	119
32	A	29.1	Very low	48.1	Very low	83 Å²	83	89.9 Å²	89.9	69%	0.686	56%	0.558	S	S	*	*	S	Bend	trans	-128.6	153.4	140	0	0	0	0	0	107.6	Q34	A32-Q34 PolarHBondContact O-N 2.9Å
33	P	29.9	Very low	51.3	Low	128 Å²	128	89 Å²	89	83%	0.831	55%	0.548	S	S	*	.	S	Bend	trans	-63.7	125.1	-156.7	26	-32.6	0	0	0	112.1
34	Q	35.4	Very low	54.2	Low	194 Å²	194	86.4 Å²	86.4	91%	0.907	53%	0.525	S	S	*	.			trans	39	77	173.2	-62.8	-155	2.6	0	0	115.5	A32 K36	A32-Q34 PolarHBondContact O-N 2.9Å; Q34-K36 PolarHBondContact O-N 3.12Å
35	Q	38	Very low	56.8	Low	136 Å²	136	84.3 Å²	84.3	64%	0.636	51%	0.511	S	S	*	.			trans	-67.2	107.1	167.7	-149.3	171.5	-1	0	0	108.8
36	K	35.8	Very low	59.5	Low	187 Å²	187	85.6 Å²	85.6	81%	0.813	50%	0.5	S	S	*	.			trans	-44.6	146.1	165	-85.2	176.4	173.2	174.3	0	108.9	Q34 G38	Q34-K36 PolarHBondContact O-N 3.12Å; K36-G38 PolarHBondContact O-N 3.08Å
37	S	54.1	Low	61.7	Low	132 Å²	132	88.7 Å²	88.7	92%	0.923	51%	0.514	S	S	*	.	S	Bend	trans	-53.3	99.2	167	62.1	0	0	0	0	109.4
38	G	62.7	Low	64.7	Low	48 Å²	48	83.5 Å²	83.5	50%	0.495	49%	0.49	S	S	.	.			trans	174.5	119.4	-168.4	0	0	0	0	0	112.3	K36	K36-G38 PolarHBondContact O-N 3.08Å
39	S	78.2	Confident	67.4	Low	15 Å²	15	80.3 Å²	80.3	11%	0.105	47%	0.474	C	S	.	.			trans	38.4	132.3	160.1	-131.3	0	0	0	0	120.6	R168 E170	S39-R168 WeakPolarHBondContact CA-O 3.34Å; S39-E170 WeakPolarHBondContact CB-OE1 3.2Å; S39-E170 WeakPolarHBondContact OG-CG 3.19Å; S39-E170 PolarHBondContact OG-OE1 2.93Å
40	F	86.2	Confident	70.4	Confident	36 Å²	36	78.5 Å²	78.5	16%	0.158	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	136.6	175.8	-60	-79.7	0	0	0	111.4	C26 I28 L42 C167 R168 F169 E170	C26-F40 HydrophobicContact CB-CD2 4.44Å; C26-F40 HydrophobicContact CB-CE1 4.49Å; C26-F40 HydrophobicContact CB-CE2 3.46Å; C26-F40 VanDerWaalsContact CB-CE2 3.46Å; C26-F40 HydrophobicContact CB-CZ 3.5Å; C26-F40 WeakPolarHBondContact O-CE1 3.34Å; C26-F40 WeakPolarHBondContact O-CZ 2.87Å; I28-F40 HydrophobicContact CD1-CB 4.44Å; F40-L42 PolarHBondContact O-N 2.97Å; F40-C167 HydrophobicContact CD2-CB 3.91Å; F40-C167 HydrophobicContact CE2-CB 4.05Å; F40-R168 WeakPolarHBondContact CD2-O 3.22Å; F40-R168 PolarHBondContact N-O 2.99Å; F40-F169 HydrophobicContact CB-CD1 3.99Å; F40-F169 HydrophobicContact CB-CE1 4.12Å; F40-F169 CarbonylContact O-C 3.45Å; F40-F169 WeakPolarHBondContact O-CA 3.18Å; F40-E170 PolarHBondContact O-N 2.65Å
41	P	92.4	Very high	73.6	Confident	67 Å²	67	74 Å²	74	44%	0.435	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	134.8	170.4	28.1	-33.4	0	0	0	109.5
42	L	94.1	Very high	76.5	Confident	12 Å²	12	66 Å²	66	6%	0.063	38%	0.375	C	S	.	.			trans	-107.1	93.6	166.2	-175.5	65.7	0	0	0	106.8	F40 F169 E170 T171 V177 F179 F202	F40-L42 PolarHBondContact O-N 2.97Å; L42-F169 HydrophobicContact CB-CB 4.19Å; L42-F169 HydrophobicContact CB-CD1 4.14Å; L42-F169 HydrophobicContact CD1-CD1 4.45Å; L42-E170 PolarHBondContact N-O 3.47Å; L42-T171 HydrophobicContact CB-CG2 4.42Å; L42-T171 HydrophobicContact CD2-CG2 4.18Å; L42-T171 PolarHBondContact O-OG1 3.3Å; L42-V177 HydrophobicContact CD1-CB 4.44Å; L42-V177 HydrophobicContact CD2-CB 4.44Å; L42-V177 HydrophobicContact CD2-CG2 4.12Å; L42-V177 HydrophobicContact CG-CB 3.86Å; L42-V177 HydrophobicContact CG-CG1 4Å; L42-V177 HydrophobicContact CG-CG2 4.06Å; L42-V177 WeakPolarHBondContact O-CG1 3.38Å; L42-F179 HydrophobicContact CD1-CD1 4.28Å; L42-F202 HydrophobicContact CD2-CE1 3.76Å; L42-F202 HydrophobicContact CD2-CZ 4.33Å
43	D	95.6	Very high	79.7	Confident	77 Å²	77	62.1 Å²	62.1	41%	0.412	34%	0.343	S	S	.	.	S	Bend	trans	-120.3	-163.1	-173.5	61.4	27	0	0	0	111.1	A45 V177 R178	D43-A45 PolarHBondContact O-N 3.29Å; D43-A45 WeakPolarHBondContact OD1-CA 2.88Å; D43-A45 PolarHBondContact OD1-N 2.88Å; D43-V177 CarbonylContact O-C 3.13Å; D43-V177 WeakPolarHBondContact O-CA 3.49Å; D43-R178 PolarHBondContact O-N 2.77Å
44	L	97	Very high	82.8	Confident	58 Å²	58	58.8 Å²	58.8	30%	0.304	32%	0.318	S	S	.	.			trans	-77.8	6.5	178.3	-72.8	174.3	0	0	0	114.4	E176 R178 V231	L44-E176 HydrophobicContact CD2-CB 4.09Å; L44-R178 HydrophobicContact CD2-CG 4.4Å; L44-R178 WeakPolarHBondContact O-CD 3.13Å; L44-V231 HydrophobicContact CD2-CG1 4.35Å
45	A	96.9	Very high	85.7	Confident	14 Å²	14	53.1 Å²	53.1	12%	0.116	31%	0.312	C	S	.	.			trans	55.3	55.8	176.2	0	0	0	0	0	114.4	D43 N47 S48 R178	D43-A45 PolarHBondContact O-N 3.29Å; D43-A45 WeakPolarHBondContact OD1-CA 2.88Å; D43-A45 PolarHBondContact OD1-N 2.88Å; A45-N47 PolarHBondContact O-N 2.72Å; A45-S48 WeakPolarHBondContact O-CB 3.41Å; A45-S48 PolarHBondContact O-N 3.19Å; A45-R178 HydrophobicContact CB-CB 4Å
46	Q	96.8	Very high	88.5	Confident	93 Å²	93	47.1 Å²	47.1	44%	0.435	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-22.6	-175	-66.7	-64.8	-11.3	0	0	114.9	K128 E263	Q46-K128 WeakPolarHBondContact O-CD 3.41Å; Q46-K128 WeakPolarHBondContact O-CE 3.1Å; Q46-K128 PolarHBondContact O-NZ 2.91Å; Q46-E263 PolarHBondContact OE1-OE1 2.8Å
47	N	96.6	Very high	91.4	Very high	95 Å²	95	40.6 Å²	40.6	51%	0.508	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	11.7	179.9	-62.1	-43	0	0	0	113.6	A45 R125 T126 K128	A45-N47 PolarHBondContact O-N 2.72Å; N47-R125 CarbonylContact C-O 3.49Å; N47-R125 CarbonylContact O-C 3.46Å; N47-T126 CarbonylContact O-C 3.57Å; N47-T126 PolarHBondContact O-N 3.45Å; N47-K128 VanDerWaalsContact O-CB 3.28Å; N47-K128 WeakPolarHBondContact O-CB 3.45Å; N47-K128 PolarHBondContact O-N 3.07Å
48	S	97.8	Very high	93.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.244	C	C	.	.			trans	-70	132.4	179.3	-169.3	0	0	0	0	111.3	A45 D50 V124 K128 R178 G180	A45-S48 WeakPolarHBondContact O-CB 3.41Å; A45-S48 PolarHBondContact O-N 3.19Å; S48-D50 PolarHBondContact O-N 2.77Å; S48-V124 CarbonylContact C-O 3.59Å; S48-V124 VanDerWaalsContact CA-O 3.28Å; S48-V124 WeakPolarHBondContact CA-O 3.41Å; S48-K128 WeakPolarHBondContact O-CB 3.37Å; S48-K128 WeakPolarHBondContact O-CD 3.06Å; S48-K128 WeakPolarHBondContact O-CG 3.34Å; S48-R178 PolarHBondContact OG-NH2 3.31Å; S48-G180 VanDerWaalsContact OG-C 3.24Å; S48-G180 WeakPolarHBondContact OG-CA 3.49Å; S48-G180 PolarHBondContact OG-O 2.72Å
49	V	98.3	Very high	95	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.248	C	C	.	.			trans	-71.9	110.8	154.1	179.5	0	0	0	0	105.9	V124 Y131 F135 H141 L264	V49-V124 HydrophobicContact CB-CG1 4.29Å; V49-V124 PolarHBondContact N-O 2.83Å; V49-V124 VanDerWaalsContact O-CG1 3.24Å; V49-V124 WeakPolarHBondContact O-CG1 3.39Å; V49-Y131 HydrophobicContact CG1-CD2 3.64Å; V49-Y131 HydrophobicContact CG1-CE2 3.53Å; V49-Y131 HydrophobicContact CG2-CD2 4.05Å; V49-F135 HydrophobicContact CB-CE2 4.32Å; V49-F135 HydrophobicContact CB-CZ 4.27Å; V49-F135 HydrophobicContact CG1-CE1 4.09Å; V49-F135 HydrophobicContact CG1-CE2 4.44Å; V49-F135 HydrophobicContact CG1-CZ 3.94Å; V49-F135 HydrophobicContact CG2-CD2 3.99Å; V49-F135 HydrophobicContact CG2-CE2 3.84Å; V49-F135 HydrophobicContact CG2-CG 4.45Å; V49-F135 HydrophobicContact CG2-CZ 4.19Å; V49-H141 PolarHBondContact O-NE2 3.39Å; V49-L264 HydrophobicContact CB-CD1 4.3Å; V49-L264 HydrophobicContact CG1-CD1 3.93Å; V49-L264 HydrophobicContact CG2-CD1 4.42Å
50	D	97.4	Very high	95.8	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.011	24%	0.243	C	C	.	.			trans	-135.8	27.1	-168.9	58.1	10.3	0	0	0	113.2	S48 M52 R178 P228 S262 E263 L264	S48-D50 PolarHBondContact O-N 2.77Å; D50-M52 PolarHBondContact O-N 2.87Å; D50-R178 IonicContact OD2-CZ 3.87Å; D50-R178 VanDerWaalsContact OD2-CZ 3.23Å; D50-R178 IonicContact OD2-NH1 2.72Å; D50-R178 PolarHBondContact OD2-NH1 3.02Å; D50-R178 IonicContact OD2-NH2 2.57Å; D50-R178 PolarHBondContact OD2-NH2 3.15Å; D50-P228 HydrophobicContact CB-CB 4.44Å; D50-P228 HydrophobicContact CB-CG 4.47Å; D50-S262 WeakPolarHBondContact O-CB 3.28Å; D50-S262 PolarHBondContact O-OG 3.33Å; D50-E263 PolarHBondContact OD1-N 3.41Å; D50-L264 PolarHBondContact OD1-N 3.14Å
51	D	97.3	Very high	96.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.244	C	C	.	.			trans	-59.8	124.6	-179.6	-158.3	-29.3	0	0	0	110.8	Y53 H141 L264 N265 C266	D51-Y53 HydrophobicContact CB-CD1 4.23Å; D51-Y53 HydrophobicContact CB-CE1 3.8Å; D51-Y53 HydrophobicContact CB-CE2 4.21Å; D51-Y53 VanDerWaalsContact CG-CD1 3.47Å; D51-Y53 VanDerWaalsContact CG-CE1 3.4Å; D51-Y53 WeakPolarHBondContact O-CE2 3.45Å; D51-Y53 WeakPolarHBondContact OD1-CA 3.09Å; D51-Y53 WeakPolarHBondContact OD1-CD1 3.45Å; D51-Y53 PolarHBondContact OD1-N 2.88Å; D51-Y53 WeakPolarHBondContact OD2-CE1 3.24Å; D51-H141 PolarHBondContact O-CE1 3.31Å; D51-L264 WeakPolarHBondContact CA-O 3.42Å; D51-L264 HydrophobicContact CB-CB 3.94Å; D51-N265 VanDerWaalsContact OD1-CA 3.31Å; D51-N265 WeakPolarHBondContact OD1-CA 3.33Å; D51-C266 PolarHBondContact OD1-N 2.87Å; D51-C266 VanDerWaalsContact OD1-N 3.11Å; D51-C266 PolarHBondContact OD2-N 3.32Å
52	M	96.3	Very high	96.5	Very high	10 Å²	10	47 Å²	47	5%	0.049	26%	0.255	C	S	.	.			trans	-91	-15.4	175.8	-68	-176.3	69.4	0	0	112.1	D50 N54 R149 Y229 F260	D50-M52 PolarHBondContact O-N 2.87Å; M52-N54 VanDerWaalsContact C-N 3.28Å; M52-N54 PolarHBondContact O-N 3.44Å; M52-R149 PolarHBondContact O-NH1 2.92Å; M52-Y229 HydrophobicContact CE-CD2 4.01Å; M52-Y229 HydrophobicContact CE-CE1 4.45Å; M52-Y229 HydrophobicContact CE-CE2 3.78Å; M52-Y229 HydrophobicContact CE-CG 4.45Å; M52-Y229 HydrophobicContact CG-CD1 3.42Å; M52-Y229 VanDerWaalsContact CG-CD1 3.42Å; M52-Y229 HydrophobicContact CG-CD2 4.21Å; M52-Y229 HydrophobicContact CG-CE1 3.68Å; M52-Y229 HydrophobicContact CG-CE2 4.45Å; M52-Y229 HydrophobicContact CG-CG 3.7Å; M52-Y229 HydrophobicContact SD-CD1 4.25Å; M52-Y229 HydrophobicContact SD-CD2 3.97Å; M52-Y229 HydrophobicContact SD-CE2 4.32Å; M52-Y229 HydrophobicContact SD-CG 3.93Å; M52-F260 HydrophobicContact CE-CB 4.25Å; M52-F260 HydrophobicContact CE-CD1 3.86Å; M52-F260 HydrophobicContact CE-CD2 4.22Å; M52-F260 HydrophobicContact CE-CE1 4.21Å; M52-F260 HydrophobicContact CE-CG 3.86Å; M52-F260 HydrophobicContact SD-CB 3.79Å; M52-F260 HydrophobicContact SD-CD1 3.94Å; M52-F260 HydrophobicContact SD-CD2 3.19Å; M52-F260 WeakPolarHBondContact SD-CD2 3.48Å; M52-F260 HydrophobicContact SD-CE1 4.31Å; M52-F260 HydrophobicContact SD-CE2 3.62Å; M52-F260 HydrophobicContact SD-CG 3.37Å; M52-F260 WeakPolarHBondContact SD-CG 3.27Å; M52-F260 HydrophobicContact SD-CZ 4.16Å
53	Y	97.3	Very high	96.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.261	C	S	.	.			trans	58.4	37.6	-175.1	-47.6	-74	0	0	0	112.8	D51 G55 E57 M60 H141 F142 T145 R149	D51-Y53 HydrophobicContact CB-CD1 4.23Å; D51-Y53 HydrophobicContact CB-CE1 3.8Å; D51-Y53 HydrophobicContact CB-CE2 4.21Å; D51-Y53 VanDerWaalsContact CG-CD1 3.47Å; D51-Y53 VanDerWaalsContact CG-CE1 3.4Å; D51-Y53 WeakPolarHBondContact O-CE2 3.45Å; D51-Y53 WeakPolarHBondContact OD1-CA 3.09Å; D51-Y53 WeakPolarHBondContact OD1-CD1 3.45Å; D51-Y53 PolarHBondContact OD1-N 2.88Å; D51-Y53 WeakPolarHBondContact OD2-CE1 3.24Å; Y53-G55 PolarHBondContact O-N 3.08Å; Y53-E57 WeakPolarHBondContact O-CG 3.45Å; Y53-M60 HydrophobicContact CD1-CB 4.33Å; Y53-M60 HydrophobicContact CD1-CG 3.51Å; Y53-M60 HydrophobicContact CD1-SD 3.99Å; Y53-M60 HydrophobicContact CE1-CG 3.75Å; Y53-M60 HydrophobicContact CE1-SD 3.9Å; Y53-M60 HydrophobicContact CG-CG 4.28Å; Y53-H141 AromaticContact CE2-ND1 3.57Å; Y53-H141 AromaticContact CZ-ND1 3.55Å; Y53-H141 PolarHBondContact OH-ND1 2.78Å; Y53-F142 AromaticContact CD1-CD2 3.84Å; Y53-F142 HydrophobicContact CD1-CD2 3.84Å; Y53-F142 HydrophobicContact CD1-CE2 4.39Å; Y53-F142 AromaticContact CD2-CD2 3.6Å; Y53-F142 HydrophobicContact CD2-CD2 3.6Å; Y53-F142 HydrophobicContact CD2-CE2 4.21Å; Y53-F142 HydrophobicContact CE1-CB 4.49Å; Y53-F142 AromaticContact CE1-CD2 3.99Å; Y53-F142 HydrophobicContact CE1-CD2 3.99Å; Y53-F142 HydrophobicContact CE2-CB 4.03Å; Y53-F142 AromaticContact CE2-CD2 3.79Å; Y53-F142 HydrophobicContact CE2-CD2 3.79Å; Y53-F142 HydrophobicContact CE2-CG 4.38Å; Y53-F142 AromaticContact CG-CD2 3.61Å; Y53-F142 HydrophobicContact CG-CD2 3.61Å; Y53-F142 AromaticContact CG-CE2 3.97Å; Y53-F142 HydrophobicContact CG-CE2 3.97Å; Y53-F142 AromaticContact CZ-CD2 3.94Å; Y53-F142 PolarHBondContact OH-N 3.42Å; Y53-T145 HydrophobicContact CD2-CG2 3.93Å; Y53-T145 HydrophobicContact CE2-CG2 4.15Å; Y53-R149 PolarHBondContact O-NH1 2.95Å
54	N	94.9	Very high	96.6	Very high	58 Å²	58	44.9 Å²	44.9	31%	0.31	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	118.7	-177.2	-76.5	-31.7	0	0	0	109.9	M52 R149 N265	M52-N54 VanDerWaalsContact C-N 3.28Å; M52-N54 PolarHBondContact O-N 3.44Å; N54-R149 PolarHBondContact OD1-NH1 3.49Å; N54-R149 PolarHBondContact OD1-NH2 2.05Å; N54-R149 VanDerWaalsContact OD1-NH2 3.14Å; N54-N265 PolarHBondContact N-OD1 2.83Å; N54-N265 PolarHBondContact O-ND2 3.46Å
55	G	95.6	Very high	96.5	Very high	76 Å²	76	44.3 Å²	44.3	78%	0.784	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.1	4	176	0	0	0	0	0	114.7	Y53 E57	Y53-G55 PolarHBondContact O-N 3.08Å; G55-E57 WeakPolarHBondContact CA-OE2 3.44Å; G55-E57 PolarHBondContact N-OE2 3.03Å
56	C	96.6	Very high	96.3	Very high	9 Å²	9	49.3 Å²	49.3	6%	0.061	27%	0.265	C	S	.	.			trans	-131.7	17.9	177.4	64.7	0	0	0	0	112.8	D58 K59 M60 C266	C56-D58 VanDerWaalsContact C-N 3.33Å; C56-D58 PolarHBondContact O-N 3.39Å; C56-K59 PolarHBondContact O-N 3.42Å; C56-M60 WeakPolarHBondContact O-CB 3.33Å; C56-M60 PolarHBondContact O-N 2.92Å; C56-C266 HydrophobicContact CB-CB 3.61Å; C56-C266 WeakPolarHBondContact CB-SG 3.44Å; C56-C266 VanDerWaalsContact SG-CA 3.52Å; C56-C266 WeakPolarHBondContact SG-CB 3.45Å; C56-C266 CovalentContact SG-SG 2.01Å; C56-C266 PolarHBondContact SG-SG 3.06Å
57	E	96.5	Very high	96.2	Very high	51 Å²	51	47.9 Å²	47.9	24%	0.238	26%	0.255	C	S	.	.	H	α-helix	trans	-51.6	-50.3	-172.4	-67.7	83.9	169.1	0	0	112.2	Y53 G55 E61 F142 M146 R149	Y53-E57 WeakPolarHBondContact O-CG 3.45Å; G55-E57 WeakPolarHBondContact CA-OE2 3.44Å; G55-E57 PolarHBondContact N-OE2 3.03Å; E57-E61 WeakPolarHBondContact O-CB 3.45Å; E57-E61 PolarHBondContact O-N 3.13Å; E57-F142 WeakPolarHBondContact O-CZ 3.33Å; E57-M146 HydrophobicContact CG-CE 3.9Å; E57-M146 HydrophobicContact CG-SD 4.03Å; E57-R149 IonicContact OE1-CZ 2.73Å; E57-R149 VanDerWaalsContact OE1-CZ 3.23Å; E57-R149 IonicContact OE1-NH1 3.23Å; E57-R149 PolarHBondContact OE1-NH1 2.62Å; E57-R149 IonicContact OE1-NH2 2.78Å; E57-R149 PolarHBondContact OE1-NH2 3.31Å
58	D	96.1	Very high	96.1	Very high	121 Å²	121	43.9 Å²	43.9	65%	0.647	23%	0.234	S	C	*	.	H	α-helix	trans	-68.6	-46.4	-178.5	-63.1	-27.8	0	0	0	112	C56 M60 E61 E62	C56-D58 VanDerWaalsContact C-N 3.33Å; C56-D58 PolarHBondContact O-N 3.39Å; D58-M60 VanDerWaalsContact C-N 3.31Å; D58-M60 PolarHBondContact O-N 2.83Å; D58-E61 PolarHBondContact O-N 2.85Å; D58-E62 PolarHBondContact O-N 3.1Å; D58-E62 VanDerWaalsContact O-N 3.12Å
59	K	96.3	Very high	95.8	Very high	130 Å²	130	49.8 Å²	49.8	57%	0.565	26%	0.261	S	S	*	.	H	α-helix	trans	-61.3	-41.4	178.1	-70.2	-172.5	177	-172.3	0	111.6	C56 E62 E63 T269	C56-K59 PolarHBondContact O-N 3.42Å; K59-E62 PolarHBondContact O-N 3.18Å; K59-E63 WeakPolarHBondContact O-CB 3.4Å; K59-E63 PolarHBondContact O-N 3.47Å; K59-T269 HydrophobicContact CB-CG2 4.12Å
60	M	96.9	Very high	95.6	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-71.3	-36	179.5	-169.1	73	-99	0	0	110.7	Y53 C56 D58 E62 E63 V64 F142 L268 T269	Y53-M60 HydrophobicContact CD1-CB 4.33Å; Y53-M60 HydrophobicContact CD1-CG 3.51Å; Y53-M60 HydrophobicContact CD1-SD 3.99Å; Y53-M60 HydrophobicContact CE1-CG 3.75Å; Y53-M60 HydrophobicContact CE1-SD 3.9Å; Y53-M60 HydrophobicContact CG-CG 4.28Å; C56-M60 WeakPolarHBondContact O-CB 3.33Å; C56-M60 PolarHBondContact O-N 2.92Å; D58-M60 VanDerWaalsContact C-N 3.31Å; D58-M60 PolarHBondContact O-N 2.83Å; M60-E62 VanDerWaalsContact C-N 3.33Å; M60-E62 PolarHBondContact O-N 2.92Å; M60-E63 HydrophobicContact CE-CB 3.64Å; M60-E63 HydrophobicContact CE-CG 3.77Å; M60-E63 PolarHBondContact O-N 3.48Å; M60-V64 HydrophobicContact CE-CB 4.35Å; M60-V64 HydrophobicContact CE-CG1 3.31Å; M60-V64 HydrophobicContact CG-CG1 4.18Å; M60-V64 WeakPolarHBondContact O-CG2 3.13Å; M60-V64 PolarHBondContact O-N 2.82Å; M60-V64 HydrophobicContact SD-CG1 4.37Å; M60-F142 HydrophobicContact CB-CD2 3.95Å; M60-F142 HydrophobicContact CB-CE2 3.58Å; M60-F142 HydrophobicContact CB-CZ 4.24Å; M60-F142 HydrophobicContact CG-CD2 3.32Å; M60-F142 HydrophobicContact CG-CE2 3.53Å; M60-F142 HydrophobicContact CG-CG 4.09Å; M60-F142 HydrophobicContact CG-CZ 4.42Å; M60-L268 HydrophobicContact CE-CB 3.56Å; M60-L268 HydrophobicContact CE-CD1 3.51Å; M60-L268 HydrophobicContact CE-CG 4.15Å; M60-L268 HydrophobicContact SD-CB 3.94Å; M60-L268 HydrophobicContact SD-CD1 4.42Å; M60-T269 HydrophobicContact CB-CG2 4.37Å; M60-T269 HydrophobicContact CE-CG2 4.22Å; M60-T269 HydrophobicContact SD-CG2 4.01Å
61	E	96.9	Very high	95.5	Very high	42 Å²	42	56.3 Å²	56.3	20%	0.196	29%	0.29	C	S	.	.	H	α-helix	trans	-59.5	-43.7	173.5	-171.8	165.7	-152.9	0	0	111.6	E57 D58 A65 K99 F142 Y143	E57-E61 WeakPolarHBondContact O-CB 3.45Å; E57-E61 PolarHBondContact O-N 3.13Å; D58-E61 PolarHBondContact O-N 2.85Å; E61-A65 PolarHBondContact O-N 3.19Å; E61-K99 VanDerWaalsContact CD-NZ 3.31Å; E61-K99 WeakPolarHBondContact OE1-CD 3.28Å; E61-K99 IonicContact OE1-NZ 3.5Å; E61-K99 PolarHBondContact OE1-NZ 2.93Å; E61-K99 VanDerWaalsContact OE1-NZ 3.09Å; E61-K99 IonicContact OE2-NZ 2.88Å; E61-K99 PolarHBondContact OE2-NZ 3.15Å; E61-F142 HydrophobicContact CB-CE1 3.75Å; E61-F142 HydrophobicContact CB-CZ 3.77Å; E61-F142 HydrophobicContact CG-CE1 4.1Å; E61-Y143 HydrophobicContact CG-CE1 4.41Å
62	E	95.3	Very high	95.3	Very high	139 Å²	139	58.8 Å²	58.8	65%	0.65	30%	0.301	S	S	*	.	H	α-helix	trans	-64.2	-43.1	174.5	-69.2	-178.5	-173	0	0	112.5	D58 K59 M60	D58-E62 PolarHBondContact O-N 3.1Å; D58-E62 VanDerWaalsContact O-N 3.12Å; K59-E62 PolarHBondContact O-N 3.18Å; M60-E62 VanDerWaalsContact C-N 3.33Å; M60-E62 PolarHBondContact O-N 2.92Å
63	E	95.2	Very high	95.1	Very high	44 Å²	44	65.3 Å²	65.3	21%	0.206	33%	0.329	C	S	.	.	H	α-helix	trans	-69.7	-48.8	-178.4	-176	55.3	-148.9	0	0	111	K59 M60 A65 K66 W67 L268 T269	K59-E63 WeakPolarHBondContact O-CB 3.4Å; K59-E63 PolarHBondContact O-N 3.47Å; M60-E63 HydrophobicContact CE-CB 3.64Å; M60-E63 HydrophobicContact CE-CG 3.77Å; M60-E63 PolarHBondContact O-N 3.48Å; E63-A65 PolarHBondContact O-N 2.57Å; E63-K66 WeakPolarHBondContact O-CB 3.28Å; E63-K66 PolarHBondContact O-N 2.82Å; E63-K66 IonicContact OE2-NZ 3.09Å; E63-K66 PolarHBondContact OE2-NZ 3.21Å; E63-W67 VanDerWaalsContact O-CD1 3.25Å; E63-W67 PolarHBondContact O-N 3.05Å; E63-W67 PolarHBondContact OE1-NE1 2.95Å; E63-L268 HydrophobicContact CG-CB 4.27Å; E63-T269 HydrophobicContact CB-CG2 3.99Å; E63-T269 HydrophobicContact CG-CG2 4.35Å
64	V	96.1	Very high	95	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-64.1	-24.3	179.4	-67.6	0	0	0	0	113.6	M60 K66 W67 L68 A139 F142 Y143	M60-V64 HydrophobicContact CE-CB 4.35Å; M60-V64 HydrophobicContact CE-CG1 3.31Å; M60-V64 HydrophobicContact CG-CG1 4.18Å; M60-V64 WeakPolarHBondContact O-CG2 3.13Å; M60-V64 PolarHBondContact O-N 2.82Å; M60-V64 HydrophobicContact SD-CG1 4.37Å; V64-K66 PolarHBondContact O-N 3.42Å; V64-W67 PolarHBondContact O-N 3.28Å; V64-W67 VanDerWaalsContact O-N 3.11Å; V64-L68 WeakPolarHBondContact O-CB 3.27Å; V64-L68 PolarHBondContact O-N 3.34Å; V64-A139 HydrophobicContact CB-CB 3.95Å; V64-F142 HydrophobicContact CB-CB 4.44Å; V64-F142 HydrophobicContact CB-CD1 4.46Å; V64-F142 HydrophobicContact CG1-CB 3.71Å; V64-F142 HydrophobicContact CG1-CD1 4.4Å; V64-F142 HydrophobicContact CG1-CG 4.03Å; V64-F142 HydrophobicContact CG2-CB 4.15Å; V64-F142 HydrophobicContact CG2-CD1 3.35Å; V64-F142 HydrophobicContact CG2-CE1 3.92Å; V64-F142 HydrophobicContact CG2-CG 3.85Å; V64-Y143 HydrophobicContact CG2-CE1 4.25Å; V64-Y143 HydrophobicContact CG2-CE2 4.04Å
65	A	94.9	Very high	95	Very high	46 Å²	46	67.8 Å²	67.8	38%	0.38	36%	0.355	S	S	.	.	H	α-helix	trans	-59.5	-35.2	172.9	0	0	0	0	0	111.5	E61 E63	E61-A65 PolarHBondContact O-N 3.19Å; E63-A65 PolarHBondContact O-N 2.57Å
66	K	93.3	Very high	95.1	Very high	120 Å²	120	64.4 Å²	64.4	52%	0.522	32%	0.319	S	S	.	.	H	α-helix	trans	-73.3	-35.3	175	-52.6	170.8	-161.1	155.7	0	111.9	E63 V64	E63-K66 WeakPolarHBondContact O-CB 3.28Å; E63-K66 PolarHBondContact O-N 2.82Å; E63-K66 IonicContact OE2-NZ 3.09Å; E63-K66 PolarHBondContact OE2-NZ 3.21Å; V64-K66 PolarHBondContact O-N 3.42Å
67	W	94.2	Very high	95.1	Very high	63 Å²	63	64.2 Å²	64.2	24%	0.239	32%	0.318	C	S	.	.	H	α-helix	trans	-70.8	-38.4	176.6	-73.2	90.5	0	0	0	112.2	E63 V64 E69 K70 E71 H138 L268	E63-W67 VanDerWaalsContact O-CD1 3.25Å; E63-W67 PolarHBondContact O-N 3.05Å; E63-W67 PolarHBondContact OE1-NE1 2.95Å; V64-W67 PolarHBondContact O-N 3.28Å; V64-W67 VanDerWaalsContact O-N 3.11Å; W67-E69 VanDerWaalsContact C-N 3.28Å; W67-E69 PolarHBondContact O-N 3.21Å; W67-K70 CarbonylContact O-C 3.57Å; W67-K70 WeakPolarHBondContact O-CA 3.21Å; W67-K70 WeakPolarHBondContact O-CB 3.39Å; W67-K70 PolarHBondContact O-N 2.67Å; W67-E71 WeakPolarHBondContact O-CG 3.32Å; W67-E71 PolarHBondContact O-N 2.86Å; W67-H138 AromaticContact CE3-ND1 3.89Å; W67-L268 HydrophobicContact CZ2-CD2 3.88Å
68	L	95.4	Very high	95.2	Very high	10 Å²	10	67.9 Å²	67.9	5%	0.052	33%	0.334	C	S	.	.	H	α-helix	trans	-53.2	-46	-176.5	-178.1	62.5	0	0	0	111.8	V64 K70 E71 K72 F76 W80 A139 Y143	V64-L68 WeakPolarHBondContact O-CB 3.27Å; V64-L68 PolarHBondContact O-N 3.34Å; L68-K70 VanDerWaalsContact C-N 3.27Å; L68-K70 PolarHBondContact O-N 3.34Å; L68-E71 PolarHBondContact O-N 2.73Å; L68-K72 HydrophobicContact CD1-CD 4.16Å; L68-K72 HydrophobicContact CD1-CG 3.9Å; L68-K72 HydrophobicContact CG-CD 3.84Å; L68-K72 HydrophobicContact CG-CG 4.12Å; L68-K72 VanDerWaalsContact O-CB 3.3Å; L68-K72 WeakPolarHBondContact O-CB 3.08Å; L68-K72 WeakPolarHBondContact O-CD 3.43Å; L68-K72 WeakPolarHBondContact O-CG 3.09Å; L68-K72 PolarHBondContact O-N 3.34Å; L68-F76 HydrophobicContact CD1-CE1 4.17Å; L68-F76 HydrophobicContact CD1-CZ 3.82Å; L68-W80 HydrophobicContact CD1-CD2 4.13Å; L68-W80 HydrophobicContact CD1-CE3 4.45Å; L68-W80 HydrophobicContact CD1-CH2 4.18Å; L68-W80 HydrophobicContact CD1-CZ2 3.87Å; L68-W80 HydrophobicContact CD1-CZ3 4.46Å; L68-W80 HydrophobicContact CD2-CH2 4.47Å; L68-W80 HydrophobicContact CD2-CZ2 3.63Å; L68-W80 HydrophobicContact CG-CZ2 4.4Å; L68-A139 HydrophobicContact CB-CB 3.71Å; L68-A139 HydrophobicContact CD1-CB 3.8Å; L68-A139 HydrophobicContact CG-CB 4.33Å; L68-Y143 HydrophobicContact CD2-CE2 4.19Å
69	E	91.6	Very high	95.3	Very high	124 Å²	124	62.1 Å²	62.1	58%	0.579	30%	0.303	S	S	*	.	H	α-helix	trans	-64.5	-31.1	178.5	-64.6	-53	121.1	0	0	113	W67 K72	W67-E69 VanDerWaalsContact C-N 3.28Å; W67-E69 PolarHBondContact O-N 3.21Å; E69-K72 IonicContact OE1-NZ 3.07Å; E69-K72 PolarHBondContact OE1-NZ 3.19Å
70	K	93.2	Very high	95.4	Very high	122 Å²	122	56.1 Å²	56.1	53%	0.53	28%	0.276	S	S	.	.	H	α-helix	trans	-76.6	-35.1	175.3	-61.1	175	-175.2	169.9	0	112.1	W67 L68 K73	W67-K70 CarbonylContact O-C 3.57Å; W67-K70 WeakPolarHBondContact O-CA 3.21Å; W67-K70 WeakPolarHBondContact O-CB 3.39Å; W67-K70 PolarHBondContact O-N 2.67Å; L68-K70 VanDerWaalsContact C-N 3.27Å; L68-K70 PolarHBondContact O-N 3.34Å; K70-K73 VanDerWaalsContact O-CD 3.31Å; K70-K73 WeakPolarHBondContact O-CD 3.38Å; K70-K73 WeakPolarHBondContact O-CE 3.38Å; K70-K73 PolarHBondContact O-NZ 2.99Å
71	E	95.3	Very high	95.5	Very high	17 Å²	17	60.2 Å²	60.2	8%	0.079	30%	0.299	C	S	.	.	H	α-helix	trans	-84.6	-28	-174	-69	-177.7	158.1	0	0	113	W67 L68 K73 F76 Q136 Y137 H138 A139	W67-E71 WeakPolarHBondContact O-CG 3.32Å; W67-E71 PolarHBondContact O-N 2.86Å; L68-E71 PolarHBondContact O-N 2.73Å; E71-K73 PolarHBondContact O-N 2.96Å; E71-F76 HydrophobicContact CB-CD1 3.94Å; E71-F76 HydrophobicContact CB-CE1 3.71Å; E71-F76 WeakPolarHBondContact O-CD1 3.35Å; E71-Q136 WeakPolarHBondContact CB-O 3.47Å; E71-Q136 VanDerWaalsContact CG-O 3.28Å; E71-Q136 WeakPolarHBondContact CG-O 3.48Å; E71-Y137 PolarHBondContact OE1-N 2.8Å; E71-H138 VanDerWaalsContact CD-N 3.34Å; E71-H138 WeakPolarHBondContact OE1-CB 3.1Å; E71-H138 IonicContact OE1-CG 3.42Å; E71-H138 PolarHBondContact OE1-N 2.82Å; E71-H138 IonicContact OE1-ND1 2.82Å; E71-H138 PolarHBondContact OE1-ND1 2.8Å; E71-H138 PolarHBondContact OE2-N 2.94Å; E71-H138 VanDerWaalsContact OE2-N 3.14Å; E71-A139 WeakPolarHBondContact OE2-CB 3.31Å; E71-A139 PolarHBondContact OE2-N 2.95Å
72	K	92.9	Very high	95.6	Very high	52 Å²	52	62.3 Å²	62.3	23%	0.226	31%	0.307	C	S	.	.			trans	-62.9	61.6	177.7	-83.2	168.5	161.2	172.6	0	114.2	L68 E69 W80	L68-K72 HydrophobicContact CD1-CD 4.16Å; L68-K72 HydrophobicContact CD1-CG 3.9Å; L68-K72 HydrophobicContact CG-CD 3.84Å; L68-K72 HydrophobicContact CG-CG 4.12Å; L68-K72 VanDerWaalsContact O-CB 3.3Å; L68-K72 WeakPolarHBondContact O-CB 3.08Å; L68-K72 WeakPolarHBondContact O-CD 3.43Å; L68-K72 WeakPolarHBondContact O-CG 3.09Å; L68-K72 PolarHBondContact O-N 3.34Å; E69-K72 IonicContact OE1-NZ 3.07Å; E69-K72 PolarHBondContact OE1-NZ 3.19Å; K72-W80 HydrophobicContact CG-CB 4.44Å; K72-W80 HydrophobicContact CG-CG 4.25Å
73	K	93.9	Very high	95.7	Very high	147 Å²	147	55.7 Å²	55.7	64%	0.639	28%	0.276	S	S	*	.			trans	-128.9	163.7	-179	-64.7	173.3	-177.5	154.3	0	109.7	K70 E71 N75 F76 G77	K70-K73 VanDerWaalsContact O-CD 3.31Å; K70-K73 WeakPolarHBondContact O-CD 3.38Å; K70-K73 WeakPolarHBondContact O-CE 3.38Å; K70-K73 PolarHBondContact O-NZ 2.99Å; E71-K73 PolarHBondContact O-N 2.96Å; K73-N75 PolarHBondContact O-N 2.77Å; K73-F76 PolarHBondContact O-N 2.88Å; K73-F76 VanDerWaalsContact O-N 3.14Å; K73-G77 PolarHBondContact O-N 2.95Å
74	G	94.8	Very high	95.9	Very high	55 Å²	55	56.5 Å²	56.5	57%	0.567	28%	0.28	S	S	*	.	H	α-helix	trans	52.5	-129.6	175.3	0	0	0	0	0	113.3	K78	G74-K78 WeakPolarHBondContact O-CG 3.36Å; G74-K78 PolarHBondContact O-N 3.31Å
75	N	95.3	Very high	96	Very high	55 Å²	55	62.4 Å²	62.4	29%	0.294	31%	0.308	S	S	.	.	H	α-helix	trans	-69	-37	179.3	-74.7	-19	0	0	0	112.6	K73 K78 A79 P114 I116 E119	K73-N75 PolarHBondContact O-N 2.77Å; N75-K78 PolarHBondContact O-N 3.28Å; N75-A79 PolarHBondContact O-N 2.92Å; N75-P114 HydrophobicContact CB-CB 3.89Å; N75-P114 HydrophobicContact CB-CG 4.09Å; N75-P114 WeakPolarHBondContact O-CG 3.44Å; N75-I116 HydrophobicContact CB-CD1 4.13Å; N75-E119 PolarHBondContact ND2-OE1 3.13Å
76	F	96.7	Very high	96.1	Very high	5 Å²	5	61.9 Å²	61.9	2%	0.022	30%	0.296	C	S	.	.	H	α-helix	trans	-63.3	-49	178.6	-179.5	-150	0	0	0	111.3	L68 E71 K73 K78 A79 W80 I116 Y137 F140	L68-F76 HydrophobicContact CD1-CE1 4.17Å; L68-F76 HydrophobicContact CD1-CZ 3.82Å; E71-F76 HydrophobicContact CB-CD1 3.94Å; E71-F76 HydrophobicContact CB-CE1 3.71Å; E71-F76 WeakPolarHBondContact O-CD1 3.35Å; K73-F76 PolarHBondContact O-N 2.88Å; K73-F76 VanDerWaalsContact O-N 3.14Å; F76-K78 VanDerWaalsContact C-N 3.31Å; F76-K78 PolarHBondContact O-N 3.41Å; F76-A79 PolarHBondContact O-N 3.07Å; F76-W80 HydrophobicContact CE2-CB 4.36Å; F76-W80 HydrophobicContact CE2-CD2 4.24Å; F76-W80 AromaticContact CE2-CE3 3.53Å; F76-W80 HydrophobicContact CE2-CE3 3.53Å; F76-W80 HydrophobicContact CE2-CZ3 4.2Å; F76-W80 HydrophobicContact CZ-CD2 4.4Å; F76-W80 AromaticContact CZ-CE3 3.88Å; F76-W80 HydrophobicContact CZ-CE3 3.88Å; F76-W80 HydrophobicContact CZ-CZ3 4.3Å; F76-W80 WeakPolarHBondContact O-CB 3.05Å; F76-W80 PolarHBondContact O-N 3.41Å; F76-I116 HydrophobicContact CB-CD1 3.95Å; F76-I116 HydrophobicContact CB-CG1 4.49Å; F76-I116 HydrophobicContact CD2-CG1 4.45Å; F76-Y137 HydrophobicContact CB-CE1 4.18Å; F76-Y137 HydrophobicContact CD1-CD1 4.32Å; F76-Y137 HydrophobicContact CG-CD1 4.44Å; F76-Y137 HydrophobicContact CG-CE1 4.39Å; F76-F140 HydrophobicContact CE1-CB 4.29Å; F76-F140 HydrophobicContact CE2-CB 3.87Å; F76-F140 AromaticContact CE2-CD2 3.68Å; F76-F140 HydrophobicContact CE2-CD2 3.68Å; F76-F140 HydrophobicContact CE2-CE2 4.39Å; F76-F140 AromaticContact CE2-CG 3.81Å; F76-F140 HydrophobicContact CE2-CG 3.81Å; F76-F140 HydrophobicContact CZ-CB 3.67Å; F76-F140 HydrophobicContact CZ-CD2 4.21Å; F76-F140 HydrophobicContact CZ-CG 4.15Å
77	G	97.6	Very high	96.4	Very high	5 Å²	5	58.3 Å²	58.3	5%	0.052	28%	0.279	C	S	.	.	H	α-helix	trans	-58.1	-41.5	176.7	0	0	0	0	0	112.9	K73 W80 N81	K73-G77 PolarHBondContact O-N 2.95Å; G77-W80 PolarHBondContact O-N 2.86Å; G77-N81 WeakPolarHBondContact O-CB 3.5Å; G77-N81 PolarHBondContact O-N 3.24Å; G77-N81 PolarHBondContact O-OD1 2.91Å
78	K	98.1	Very high	96.6	Very high	129 Å²	129	59.4 Å²	59.4	56%	0.561	29%	0.29	S	S	*	.	H	α-helix	trans	-64	-44.1	175.7	-71.9	172.7	-173.5	175	0	112.5	G74 N75 F76 K82 P114	G74-K78 WeakPolarHBondContact O-CG 3.36Å; G74-K78 PolarHBondContact O-N 3.31Å; N75-K78 PolarHBondContact O-N 3.28Å; F76-K78 VanDerWaalsContact C-N 3.31Å; F76-K78 PolarHBondContact O-N 3.41Å; K78-K82 WeakPolarHBondContact O-CG 3.22Å; K78-K82 PolarHBondContact O-N 3.19Å; K78-P114 HydrophobicContact CB-CG 4Å
79	A	98.1	Very high	96.6	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-62.6	-46.3	175.9	0	0	0	0	0	110.9	N75 F76 N81 K82 S83 A108 L111 P114 I116	N75-A79 PolarHBondContact O-N 2.92Å; F76-A79 PolarHBondContact O-N 3.07Å; A79-N81 PolarHBondContact O-N 2.71Å; A79-K82 PolarHBondContact O-N 3.09Å; A79-S83 PolarHBondContact O-N 2.95Å; A79-S83 PolarHBondContact O-OG 3.18Å; A79-A108 HydrophobicContact CB-CB 4.16Å; A79-L111 HydrophobicContact CB-CD1 4.02Å; A79-P114 HydrophobicContact CB-CG 3.96Å; A79-I116 HydrophobicContact CB-CB 4.21Å; A79-I116 HydrophobicContact CB-CG2 4.17Å
80	W	98.3	Very high	96.9	Very high	3 Å²	3	63 Å²	63	1%	0.011	31%	0.31	C	S	.	.	H	α-helix	trans	-61.9	-43.2	-179.3	-163.4	-87	0	0	0	112.5	L68 K72 F76 G77 K82 S83 E84 E101 M104 A105 F140 Y143	L68-W80 HydrophobicContact CD1-CD2 4.13Å; L68-W80 HydrophobicContact CD1-CE3 4.45Å; L68-W80 HydrophobicContact CD1-CH2 4.18Å; L68-W80 HydrophobicContact CD1-CZ2 3.87Å; L68-W80 HydrophobicContact CD1-CZ3 4.46Å; L68-W80 HydrophobicContact CD2-CH2 4.47Å; L68-W80 HydrophobicContact CD2-CZ2 3.63Å; L68-W80 HydrophobicContact CG-CZ2 4.4Å; K72-W80 HydrophobicContact CG-CB 4.44Å; K72-W80 HydrophobicContact CG-CG 4.25Å; F76-W80 HydrophobicContact CE2-CB 4.36Å; F76-W80 HydrophobicContact CE2-CD2 4.24Å; F76-W80 AromaticContact CE2-CE3 3.53Å; F76-W80 HydrophobicContact CE2-CE3 3.53Å; F76-W80 HydrophobicContact CE2-CZ3 4.2Å; F76-W80 HydrophobicContact CZ-CD2 4.4Å; F76-W80 AromaticContact CZ-CE3 3.88Å; F76-W80 HydrophobicContact CZ-CE3 3.88Å; F76-W80 HydrophobicContact CZ-CZ3 4.3Å; F76-W80 WeakPolarHBondContact O-CB 3.05Å; F76-W80 PolarHBondContact O-N 3.41Å; G77-W80 PolarHBondContact O-N 2.86Å; W80-K82 PolarHBondContact O-N 3.04Å; W80-S83 CarbonylContact O-C 3.31Å; W80-S83 WeakPolarHBondContact O-CB 3.15Å; W80-S83 PolarHBondContact O-N 3.15Å; W80-S83 VanDerWaalsContact O-N 3.15Å; W80-E84 PolarHBondContact O-N 2.89Å; W80-E101 HydrophobicContact CH2-CB 4.32Å; W80-E101 HydrophobicContact CZ2-CB 4.32Å; W80-E101 HydrophobicContact CZ2-CG 4.26Å; W80-M104 HydrophobicContact CD2-CE 4.1Å; W80-M104 VanDerWaalsContact CE2-CE 3.46Å; W80-M104 HydrophobicContact CG-CE 4.23Å; W80-M104 HydrophobicContact CH2-CB 4.28Å; W80-M104 HydrophobicContact CZ2-CB 4.31Å; W80-M104 HydrophobicContact CZ2-CE 3.9Å; W80-M104 HydrophobicContact CZ3-CB 4.49Å; W80-A105 HydrophobicContact CH2-CB 4.43Å; W80-A105 HydrophobicContact CZ3-CB 4.06Å; W80-F140 HydrophobicContact CE3-CD2 4.43Å; W80-F140 HydrophobicContact CZ3-CD2 4.06Å; W80-Y143 AromaticContact CH2-CD2 3.79Å; W80-Y143 HydrophobicContact CH2-CD2 3.79Å; W80-Y143 HydrophobicContact CH2-CE2 4.34Å
81	N	98.3	Very high	97	Very high	87 Å²	87	57.7 Å²	57.7	47%	0.465	29%	0.287	S	S	.	.	H	α-helix	trans	-63.6	-39	176.8	-69.7	-5.9	0	0	0	112.2	G77 A79 S83 E84 Q85	G77-N81 WeakPolarHBondContact O-CB 3.5Å; G77-N81 PolarHBondContact O-N 3.24Å; G77-N81 PolarHBondContact O-OD1 2.91Å; A79-N81 PolarHBondContact O-N 2.71Å; N81-S83 VanDerWaalsContact C-N 3.33Å; N81-E84 PolarHBondContact O-N 3.3Å; N81-Q85 WeakPolarHBondContact O-CG 3.36Å; N81-Q85 PolarHBondContact O-N 3.39Å; N81-Q85 VanDerWaalsContact O-N 3.14Å
82	K	98.4	Very high	97	Very high	85 Å²	85	59.3 Å²	59.3	37%	0.37	30%	0.303	S	S	.	.	H	α-helix	trans	-63.9	-40.6	173.3	-74.3	-177.5	178.8	-171.5	0	111.4	K78 A79 W80 E84 Q85 Y86 L111 M113	K78-K82 WeakPolarHBondContact O-CG 3.22Å; K78-K82 PolarHBondContact O-N 3.19Å; A79-K82 PolarHBondContact O-N 3.09Å; W80-K82 PolarHBondContact O-N 3.04Å; K82-E84 VanDerWaalsContact C-N 3.34Å; K82-Q85 PolarHBondContact O-N 3.03Å; K82-Y86 PolarHBondContact O-N 3.44Å; K82-L111 HydrophobicContact CB-CD1 4.02Å; K82-L111 HydrophobicContact CD-CD1 4.31Å; K82-M113 WeakPolarHBondContact CD-O 3.3Å; K82-M113 PolarHBondContact NZ-O 3.1Å
83	S	98.4	Very high	97	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-67.3	-32.9	176	-65.6	0	0	0	0	113.4	A79 W80 N81 Y86 Y87 M104 H107 A108	A79-S83 PolarHBondContact O-N 2.95Å; A79-S83 PolarHBondContact O-OG 3.18Å; W80-S83 CarbonylContact O-C 3.31Å; W80-S83 WeakPolarHBondContact O-CB 3.15Å; W80-S83 PolarHBondContact O-N 3.15Å; W80-S83 VanDerWaalsContact O-N 3.15Å; N81-S83 VanDerWaalsContact C-N 3.33Å; S83-Y86 WeakPolarHBondContact O-CB 3.47Å; S83-Y86 PolarHBondContact O-N 2.67Å; S83-Y87 PolarHBondContact O-N 3.45Å; S83-M104 VanDerWaalsContact CB-O 3.22Å; S83-M104 WeakPolarHBondContact CB-O 3.48Å; S83-M104 PolarHBondContact OG-O 2.98Å; S83-M104 VanDerWaalsContact OG-O 3.1Å; S83-H107 PolarHBondContact OG-CD2 3.04Å; S83-A108 WeakPolarHBondContact OG-CA 3.46Å; S83-A108 VanDerWaalsContact OG-CB 3.28Å; S83-A108 WeakPolarHBondContact OG-CB 3.36Å; S83-A108 PolarHBondContact OG-N 2.84Å
84	E	98.5	Very high	97	Very high	61 Å²	61	60 Å²	60	29%	0.285	32%	0.324	S	S	.	.	H	α-helix	trans	-65.2	-43.8	173	-173.4	162.4	-126.4	0	0	111.4	W80 N81 K82 Y86 Y87 N88 K100 M104	W80-E84 PolarHBondContact O-N 2.89Å; N81-E84 PolarHBondContact O-N 3.3Å; K82-E84 VanDerWaalsContact C-N 3.34Å; E84-Y86 VanDerWaalsContact C-N 3.29Å; E84-Y86 PolarHBondContact O-N 3.2Å; E84-Y87 PolarHBondContact O-N 2.78Å; E84-N88 WeakPolarHBondContact O-CB 3.29Å; E84-N88 VanDerWaalsContact O-CG 3.26Å; E84-N88 PolarHBondContact O-N 2.91Å; E84-N88 PolarHBondContact O-ND2 3.44Å; E84-K100 IonicContact OE1-NZ 3.23Å; E84-K100 PolarHBondContact OE1-NZ 3.18Å; E84-M104 HydrophobicContact CB-CE 3.57Å; E84-M104 HydrophobicContact CB-SD 4.34Å; E84-M104 HydrophobicContact CG-CE 4.14Å
85	Q	98.4	Very high	96.8	Very high	125 Å²	125	64.1 Å²	64.1	58%	0.584	34%	0.338	S	S	*	.	H	α-helix	trans	-59.6	-42.7	173.5	-68.2	175.1	-1.2	0	0	111.5	N81 K82 N88 N89	N81-Q85 WeakPolarHBondContact O-CG 3.36Å; N81-Q85 PolarHBondContact O-N 3.39Å; N81-Q85 VanDerWaalsContact O-N 3.14Å; K82-Q85 PolarHBondContact O-N 3.03Å; Q85-N88 PolarHBondContact O-N 2.8Å; Q85-N89 WeakPolarHBondContact O-CB 3.16Å; Q85-N89 PolarHBondContact O-N 3.3Å; Q85-N89 PolarHBondContact O-ND2 2.94Å; Q85-N89 VanDerWaalsContact O-ND2 3.11Å
86	Y	98	Very high	96.7	Very high	35 Å²	35	63.6 Å²	63.6	14%	0.137	34%	0.339	C	S	.	.	H	α-helix	trans	-60	-46.2	174.9	168.2	-106.1	0	0	0	112.2	K82 S83 E84 N89 K90 W91 I103 H107 E214 F215	K82-Y86 PolarHBondContact O-N 3.44Å; S83-Y86 WeakPolarHBondContact O-CB 3.47Å; S83-Y86 PolarHBondContact O-N 2.67Å; E84-Y86 VanDerWaalsContact C-N 3.29Å; E84-Y86 PolarHBondContact O-N 3.2Å; Y86-N89 PolarHBondContact O-N 3.39Å; Y86-K90 HydrophobicContact CD2-CD 4.48Å; Y86-K90 HydrophobicContact CE2-CB 4.47Å; Y86-K90 HydrophobicContact CE2-CD 3.58Å; Y86-K90 WeakPolarHBondContact O-CB 3.44Å; Y86-K90 PolarHBondContact O-N 2.03Å; Y86-K90 VanDerWaalsContact O-N 3.14Å; Y86-K90 PolarHBondContact OH-NZ 3.35Å; Y86-W91 AromaticContact CE1-CD1 3.67Å; Y86-W91 AromaticContact CE1-NE1 3.31Å; Y86-W91 VanDerWaalsContact CE1-NE1 3.31Å; Y86-W91 AromaticContact CZ-CD1 3.93Å; Y86-W91 AromaticContact CZ-NE1 3.25Å; Y86-W91 PolarHBondContact OH-NE1 2.93Å; Y86-W91 VanDerWaalsContact OH-NE1 3.1Å; Y86-I103 HydrophobicContact CD1-CG2 4.37Å; Y86-I103 HydrophobicContact CE1-CG2 3.97Å; Y86-H107 HydrophobicContact CD1-CB 3.66Å; Y86-H107 AromaticContact CD1-CD2 3.76Å; Y86-H107 AromaticContact CD1-CE1 3.9Å; Y86-H107 AromaticContact CD1-CG 3.32Å; Y86-H107 AromaticContact CD1-ND1 3.45Å; Y86-H107 WeakPolarHBondContact CD1-ND1 3.28Å; Y86-H107 AromaticContact CD2-CE1 3.62Å; Y86-H107 AromaticContact CD2-ND1 3.92Å; Y86-H107 AromaticContact CD2-NE2 3.97Å; Y86-H107 HydrophobicContact CE1-CB 3.86Å; Y86-H107 AromaticContact CE1-CG 3.69Å; Y86-H107 AromaticContact CE1-ND1 3.45Å; Y86-H107 WeakPolarHBondContact CE1-ND1 3.38Å; Y86-H107 AromaticContact CE2-CE1 3.89Å; Y86-H107 AromaticContact CE2-ND1 3.94Å; Y86-H107 HydrophobicContact CG-CB 4.49Å; Y86-H107 AromaticContact CG-CD2 3.71Å; Y86-H107 AromaticContact CG-CE1 3.6Å; Y86-H107 AromaticContact CG-CG 3.71Å; Y86-H107 AromaticContact CG-ND1 3.66Å; Y86-H107 AromaticContact CG-NE2 3.64Å; Y86-H107 AromaticContact CZ-ND1 3.69Å; Y86-E214 PolarHBondContact OH-O 2.78Å; Y86-F215 PolarHBondContact OH-O 3.02Å
87	Y	98.5	Very high	96.6	Very high	44 Å²	44	68.5 Å²	68.5	17%	0.173	37%	0.369	C	S	.	.	H	α-helix	trans	-59.2	-51	175.4	174.8	-91.8	0	0	0	111.3	S83 E84 N89 K90 W91 A92 K100 I103 M104	S83-Y87 PolarHBondContact O-N 3.45Å; E84-Y87 PolarHBondContact O-N 2.78Å; Y87-N89 VanDerWaalsContact C-N 3.28Å; Y87-N89 PolarHBondContact O-N 3.3Å; Y87-K90 PolarHBondContact O-N 3.16Å; Y87-W91 HydrophobicContact CD2-CB 3.57Å; Y87-W91 HydrophobicContact CD2-CG 4.45Å; Y87-W91 HydrophobicContact CE2-CB 3.76Å; Y87-W91 HydrophobicContact CG-CB 4.28Å; Y87-W91 CarbonylContact O-C 3.59Å; Y87-W91 WeakPolarHBondContact O-CA 3.49Å; Y87-W91 PolarHBondContact O-N 2.87Å; Y87-A92 HydrophobicContact CD1-CB 4.41Å; Y87-A92 HydrophobicContact CE1-CB 3.95Å; Y87-A92 PolarHBondContact O-N 3.28Å; Y87-K100 HydrophobicContact CD1-CD 4.02Å; Y87-K100 HydrophobicContact CD1-CG 3.8Å; Y87-K100 HydrophobicContact CD2-CB 4.22Å; Y87-K100 HydrophobicContact CD2-CG 3.93Å; Y87-K100 HydrophobicContact CE1-CB 4.16Å; Y87-K100 HydrophobicContact CE1-CD 3.69Å; Y87-K100 HydrophobicContact CE1-CG 3.63Å; Y87-K100 HydrophobicContact CE2-CB 3.65Å; Y87-K100 HydrophobicContact CE2-CG 3.78Å; Y87-K100 HydrophobicContact CG-CG 3.95Å; Y87-I103 HydrophobicContact CD2-CB 4.3Å; Y87-I103 HydrophobicContact CD2-CD1 4.09Å; Y87-I103 HydrophobicContact CD2-CG2 4.22Å; Y87-I103 HydrophobicContact CE2-CD1 4.06Å; Y87-M104 HydrophobicContact CG-CG 4.44Å
88	N	98.3	Very high	96.6	Very high	86 Å²	86	68.7 Å²	68.7	46%	0.46	37%	0.369	S	S	.	.	H	α-helix	trans	-59.8	-38.9	-178	-70.1	-20.5	0	0	0	112.4	E84 Q85	E84-N88 WeakPolarHBondContact O-CB 3.29Å; E84-N88 VanDerWaalsContact O-CG 3.26Å; E84-N88 PolarHBondContact O-N 2.91Å; E84-N88 PolarHBondContact O-ND2 3.44Å; Q85-N88 PolarHBondContact O-N 2.8Å
89	N	97	Very high	96.5	Very high	143 Å²	143	67.2 Å²	67.2	77%	0.765	36%	0.363	S	S	*	.	H	α-helix	trans	-78.1	-25.3	-177.2	-69.7	-24.1	0	0	0	114	Q85 Y86 Y87	Q85-N89 WeakPolarHBondContact O-CB 3.16Å; Q85-N89 PolarHBondContact O-N 3.3Å; Q85-N89 PolarHBondContact O-ND2 2.94Å; Q85-N89 VanDerWaalsContact O-ND2 3.11Å; Y86-N89 PolarHBondContact O-N 3.39Å; Y87-N89 VanDerWaalsContact C-N 3.28Å; Y87-N89 PolarHBondContact O-N 3.3Å
90	K	96	Very high	96.5	Very high	67 Å²	67	70.1 Å²	70.1	29%	0.291	38%	0.376	S	S	.	.	H	α-helix	trans	-124.4	-28	-168.6	-174.8	178.1	164.2	-156.9	0	114.7	Y86 Y87 T94 E214 K219	Y86-K90 HydrophobicContact CD2-CD 4.48Å; Y86-K90 HydrophobicContact CE2-CB 4.47Å; Y86-K90 HydrophobicContact CE2-CD 3.58Å; Y86-K90 WeakPolarHBondContact O-CB 3.44Å; Y86-K90 PolarHBondContact O-N 2.03Å; Y86-K90 VanDerWaalsContact O-N 3.14Å; Y86-K90 PolarHBondContact OH-NZ 3.35Å; Y87-K90 PolarHBondContact O-N 3.16Å; K90-T94 PolarHBondContact O-OG1 2.94Å; K90-E214 PolarHBondContact NZ-O 2.73Å; K90-K219 VanDerWaalsContact NZ-CE 3.32Å
91	W	96.8	Very high	96.5	Very high	11 Å²	11	72.5 Å²	72.5	4%	0.042	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.2	-20.4	-166	-64	107.2	0	0	0	114	Y86 Y87 T93 T94 I103 E214 F215	Y86-W91 AromaticContact CE1-CD1 3.67Å; Y86-W91 AromaticContact CE1-NE1 3.31Å; Y86-W91 VanDerWaalsContact CE1-NE1 3.31Å; Y86-W91 AromaticContact CZ-CD1 3.93Å; Y86-W91 AromaticContact CZ-NE1 3.25Å; Y86-W91 PolarHBondContact OH-NE1 2.93Å; Y86-W91 VanDerWaalsContact OH-NE1 3.1Å; Y87-W91 HydrophobicContact CD2-CB 3.57Å; Y87-W91 HydrophobicContact CD2-CG 4.45Å; Y87-W91 HydrophobicContact CE2-CB 3.76Å; Y87-W91 HydrophobicContact CG-CB 4.28Å; Y87-W91 CarbonylContact O-C 3.59Å; Y87-W91 WeakPolarHBondContact O-CA 3.49Å; Y87-W91 PolarHBondContact O-N 2.87Å; W91-T93 PolarHBondContact O-N 3.42Å; W91-T94 HydrophobicContact CE3-CG2 4.26Å; W91-T94 HydrophobicContact CZ3-CG2 4.33Å; W91-T94 PolarHBondContact O-N 2.77Å; W91-T94 VanDerWaalsContact O-O 3.09Å; W91-I103 HydrophobicContact CB-CD1 4.04Å; W91-I103 HydrophobicContact CD2-CD1 4.09Å; W91-I103 HydrophobicContact CE3-CD1 4.32Å; W91-I103 HydrophobicContact CG-CD1 3.98Å; W91-I103 HydrophobicContact CG-CG2 4.13Å; W91-E214 HydrophobicContact CH2-CG 3.68Å; W91-E214 WeakPolarHBondContact CH2-OE1 3.41Å; W91-E214 HydrophobicContact CZ2-CG 3.92Å; W91-F215 HydrophobicContact CD2-CE1 4.41Å; W91-F215 AromaticContact CE2-CD1 3.88Å; W91-F215 AromaticContact CE2-CE1 3.98Å; W91-F215 HydrophobicContact CE3-CE1 4.39Å; W91-F215 HydrophobicContact CH2-CD1 4.04Å; W91-F215 AromaticContact CH2-CE1 3.5Å; W91-F215 HydrophobicContact CH2-CE1 3.5Å; W91-F215 VanDerWaalsContact CH2-CE1 3.5Å; W91-F215 HydrophobicContact CH2-CZ 4.18Å; W91-F215 AromaticContact CZ2-CD1 3.53Å; W91-F215 HydrophobicContact CZ2-CD1 3.53Å; W91-F215 AromaticContact CZ2-CE1 3.49Å; W91-F215 HydrophobicContact CZ2-CE1 3.49Å; W91-F215 VanDerWaalsContact CZ2-CE1 3.49Å; W91-F215 HydrophobicContact CZ2-CZ 4.48Å; W91-F215 AromaticContact CZ3-CE1 3.97Å; W91-F215 HydrophobicContact CZ3-CE1 3.97Å
92	A	95.1	Very high	96.5	Very high	50 Å²	50	68.8 Å²	68.8	41%	0.413	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-25.7	-176.9	0	0	0	0	0	114.7	Y87	Y87-A92 HydrophobicContact CD1-CB 4.41Å; Y87-A92 HydrophobicContact CE1-CB 3.95Å; Y87-A92 PolarHBondContact O-N 3.28Å
93	T	93.4	Very high	96.5	Very high	141 Å²	141	64.8 Å²	64.8	87%	0.865	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.3	15.4	177.6	63.4	0	0	0	0	112.6	W91	W91-T93 PolarHBondContact O-N 3.42Å
94	T	92.1	Very high	96.6	Very high	74 Å²	74	64.9 Å²	64.9	45%	0.454	35%	0.35	S	S	.	.	S	Bend	trans	-121.3	136.7	-175.7	-56.6	0	0	0	0	109.5	K90 W91	K90-T94 PolarHBondContact O-OG1 2.94Å; W91-T94 HydrophobicContact CE3-CG2 4.26Å; W91-T94 HydrophobicContact CZ3-CG2 4.33Å; W91-T94 PolarHBondContact O-N 2.77Å; W91-T94 VanDerWaalsContact O-O 3.09Å
95	T	90.8	Very high	96.6	Very high	140 Å²	140	62 Å²	62	86%	0.859	34%	0.336	S	S	*	.			trans	-67.3	136.8	173.9	49.7	0	0	0	0	109.7
96	S	94.2	Very high	96.6	Very high	45 Å²	45	56 Å²	56	32%	0.315	31%	0.308	S	S	.	.			trans	-141.1	150.5	177.2	-171.8	0	0	0	0	109.5	L98 F215	S96-L98 PolarHBondContact O-N 2.7Å; S96-L98 PolarHBondContact OG-N 2.86Å; S96-F215 VanDerWaalsContact OG-CE1 3.28Å; S96-F215 WeakPolarHBondContact OG-CE1 3.46Å; S96-F215 WeakPolarHBondContact OG-CZ 3.44Å
97	T	93.5	Very high	96.6	Very high	107 Å²	107	54.8 Å²	54.8	66%	0.656	30%	0.304	S	S	*	.	S	Bend	trans	-66.3	-26.5	168.9	-51.6	0	0	0	0	111.6
98	L	97.7	Very high	96.6	Very high	9 Å²	9	52.7 Å²	52.7	5%	0.047	30%	0.296	C	S	.	.	S	Bend	trans	-94.7	143.3	179.9	-66.6	-169.6	0	0	0	111.9	S96 Q102 I103 V106 A147 L151 F215	S96-L98 PolarHBondContact O-N 2.7Å; S96-L98 PolarHBondContact OG-N 2.86Å; L98-Q102 HydrophobicContact CB-CB 4.1Å; L98-Q102 HydrophobicContact CD1-CB 4.46Å; L98-Q102 HydrophobicContact CD2-CB 4.28Å; L98-I103 HydrophobicContact CB-CD1 4.23Å; L98-I103 HydrophobicContact CB-CG1 3.49Å; L98-I103 VanDerWaalsContact CB-CG1 3.49Å; L98-I103 HydrophobicContact CD1-CG1 4.24Å; L98-I103 HydrophobicContact CG-CG1 4.48Å; L98-V106 HydrophobicContact CD1-CG2 4.26Å; L98-A147 HydrophobicContact CD1-CB 4.16Å; L98-A147 HydrophobicContact CD2-CB 4.12Å; L98-L151 HydrophobicContact CD1-CD1 4.17Å; L98-L151 HydrophobicContact CD1-CD2 4.49Å; L98-L151 HydrophobicContact CD1-CG 4.39Å; L98-L151 HydrophobicContact CD2-CD1 4.43Å; L98-L151 HydrophobicContact CD2-CD2 4.19Å; L98-L151 HydrophobicContact CD2-CG 3.88Å; L98-L151 HydrophobicContact CG-CD2 4.18Å; L98-L151 HydrophobicContact CG-CG 4.28Å; L98-F215 HydrophobicContact CB-CE1 4.41Å; L98-F215 HydrophobicContact CB-CZ 4.32Å; L98-F215 HydrophobicContact CD1-CD1 4.16Å; L98-F215 HydrophobicContact CD1-CD2 3.65Å; L98-F215 HydrophobicContact CD1-CE1 4.13Å; L98-F215 HydrophobicContact CD1-CE2 3.64Å; L98-F215 HydrophobicContact CD1-CG 3.93Å; L98-F215 HydrophobicContact CD1-CZ 3.88Å; L98-F215 HydrophobicContact CG-CD2 4.49Å; L98-F215 HydrophobicContact CG-CE1 4.39Å; L98-F215 HydrophobicContact CG-CE2 3.99Å; L98-F215 HydrophobicContact CG-CZ 3.92Å
99	K	97.1	Very high	96.6	Very high	99 Å²	99	48.8 Å²	48.8	43%	0.43	28%	0.275	S	S	.	.			trans	-69.1	163.1	168.4	-60.8	-173.9	-173.1	-178.9	0	111.1	E61 E101 Q102 I103	E61-K99 VanDerWaalsContact CD-NZ 3.31Å; E61-K99 WeakPolarHBondContact OE1-CD 3.28Å; E61-K99 IonicContact OE1-NZ 3.5Å; E61-K99 PolarHBondContact OE1-NZ 2.93Å; E61-K99 VanDerWaalsContact OE1-NZ 3.09Å; E61-K99 IonicContact OE2-NZ 2.88Å; E61-K99 PolarHBondContact OE2-NZ 3.15Å; K99-E101 PolarHBondContact O-N 2.83Å; K99-Q102 HydrophobicContact CB-CG 4.32Å; K99-Q102 WeakPolarHBondContact O-CB 3.44Å; K99-Q102 PolarHBondContact O-N 3.39Å; K99-Q102 VanDerWaalsContact O-N 3.14Å; K99-I103 WeakPolarHBondContact O-CG1 3.35Å; K99-I103 PolarHBondContact O-N 3.44Å
100	K	97.9	Very high	96.7	Very high	61 Å²	61	42.3 Å²	42.3	27%	0.265	24%	0.24	S	C	.	.	H	α-helix	trans	-47.4	-55.6	-179.7	172.6	-179.6	178.5	-164.7	0	112.4	E84 Y87 Q102 I103 M104	E84-K100 IonicContact OE1-NZ 3.23Å; E84-K100 PolarHBondContact OE1-NZ 3.18Å; Y87-K100 HydrophobicContact CD1-CD 4.02Å; Y87-K100 HydrophobicContact CD1-CG 3.8Å; Y87-K100 HydrophobicContact CD2-CB 4.22Å; Y87-K100 HydrophobicContact CD2-CG 3.93Å; Y87-K100 HydrophobicContact CE1-CB 4.16Å; Y87-K100 HydrophobicContact CE1-CD 3.69Å; Y87-K100 HydrophobicContact CE1-CG 3.63Å; Y87-K100 HydrophobicContact CE2-CB 3.65Å; Y87-K100 HydrophobicContact CE2-CG 3.78Å; Y87-K100 HydrophobicContact CG-CG 3.95Å; K100-Q102 VanDerWaalsContact C-N 3.32Å; K100-Q102 PolarHBondContact O-N 3Å; K100-I103 WeakPolarHBondContact O-CB 3.17Å; K100-I103 PolarHBondContact O-N 3.21Å; K100-M104 HydrophobicContact CD-SD 4.24Å; K100-M104 VanDerWaalsContact CE-SD 3.52Å; K100-M104 HydrophobicContact CG-SD 3.64Å; K100-M104 VanDerWaalsContact O-CG 3.25Å; K100-M104 WeakPolarHBondContact O-CG 3.48Å; K100-M104 PolarHBondContact O-N 3.38Å
101	E	98.3	Very high	96.7	Very high	53 Å²	53	39.7 Å²	39.7	25%	0.248	23%	0.229	C	C	.	.	H	α-helix	trans	-68.9	-32.1	-174.5	-68.8	67.8	-150.8	0	0	111.8	W80 K99 M104 A105 Y143	W80-E101 HydrophobicContact CH2-CB 4.32Å; W80-E101 HydrophobicContact CZ2-CB 4.32Å; W80-E101 HydrophobicContact CZ2-CG 4.26Å; K99-E101 PolarHBondContact O-N 2.83Å; E101-M104 PolarHBondContact O-N 3.2Å; E101-A105 VanDerWaalsContact O-CB 3.31Å; E101-A105 WeakPolarHBondContact O-CB 3.45Å; E101-A105 PolarHBondContact O-N 3.35Å; E101-Y143 HydrophobicContact CB-CD1 3.54Å; E101-Y143 HydrophobicContact CB-CD2 3.98Å; E101-Y143 HydrophobicContact CB-CE1 3.5Å; E101-Y143 HydrophobicContact CB-CE2 3.94Å; E101-Y143 HydrophobicContact CB-CG 3.8Å; E101-Y143 HydrophobicContact CG-CE1 4.04Å; E101-Y143 HydrophobicContact CG-CE2 4.16Å
102	Q	98.7	Very high	96.5	Very high	8 Å²	8	43 Å²	43	4%	0.037	25%	0.245	C	C	.	.	H	α-helix	trans	-65.7	-46.2	173.4	-66.9	174.4	-1	0	0	111.3	L98 K99 K100 M104 A105 V106 M146 A147 S150	L98-Q102 HydrophobicContact CB-CB 4.1Å; L98-Q102 HydrophobicContact CD1-CB 4.46Å; L98-Q102 HydrophobicContact CD2-CB 4.28Å; K99-Q102 HydrophobicContact CB-CG 4.32Å; K99-Q102 WeakPolarHBondContact O-CB 3.44Å; K99-Q102 PolarHBondContact O-N 3.39Å; K99-Q102 VanDerWaalsContact O-N 3.14Å; K100-Q102 VanDerWaalsContact C-N 3.32Å; K100-Q102 PolarHBondContact O-N 3Å; Q102-M104 VanDerWaalsContact C-N 3.29Å; Q102-M104 PolarHBondContact O-N 2.78Å; Q102-A105 PolarHBondContact O-N 3.45Å; Q102-V106 WeakPolarHBondContact O-CG2 3.22Å; Q102-V106 PolarHBondContact O-N 2.8Å; Q102-M146 HydrophobicContact CG-CB 4.35Å; Q102-A147 HydrophobicContact CB-CB 3.87Å; Q102-A147 HydrophobicContact CG-CB 4.33Å; Q102-S150 PolarHBondContact OE1-OG 3.05Å
103	I	98.7	Very high	96.4	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-58.2	-45.9	174.3	-66.5	173.1	0	0	0	110.3	Y86 Y87 W91 L98 K99 K100 V106 H107 F215	Y86-I103 HydrophobicContact CD1-CG2 4.37Å; Y86-I103 HydrophobicContact CE1-CG2 3.97Å; Y87-I103 HydrophobicContact CD2-CB 4.3Å; Y87-I103 HydrophobicContact CD2-CD1 4.09Å; Y87-I103 HydrophobicContact CD2-CG2 4.22Å; Y87-I103 HydrophobicContact CE2-CD1 4.06Å; W91-I103 HydrophobicContact CB-CD1 4.04Å; W91-I103 HydrophobicContact CD2-CD1 4.09Å; W91-I103 HydrophobicContact CE3-CD1 4.32Å; W91-I103 HydrophobicContact CG-CD1 3.98Å; W91-I103 HydrophobicContact CG-CG2 4.13Å; L98-I103 HydrophobicContact CB-CD1 4.23Å; L98-I103 HydrophobicContact CB-CG1 3.49Å; L98-I103 VanDerWaalsContact CB-CG1 3.49Å; L98-I103 HydrophobicContact CD1-CG1 4.24Å; L98-I103 HydrophobicContact CG-CG1 4.48Å; K99-I103 WeakPolarHBondContact O-CG1 3.35Å; K99-I103 PolarHBondContact O-N 3.44Å; K100-I103 WeakPolarHBondContact O-CB 3.17Å; K100-I103 PolarHBondContact O-N 3.21Å; I103-V106 PolarHBondContact O-N 2.85Å; I103-H107 WeakPolarHBondContact O-CB 3.33Å; I103-H107 PolarHBondContact O-N 3.32Å; I103-F215 HydrophobicContact CB-CD1 4.33Å; I103-F215 HydrophobicContact CD1-CD1 4.42Å; I103-F215 HydrophobicContact CD1-CE1 4.11Å; I103-F215 HydrophobicContact CG1-CD1 3.82Å; I103-F215 HydrophobicContact CG1-CE1 3.82Å; I103-F215 HydrophobicContact CG2-CD1 3.98Å
104	M	98.6	Very high	96.4	Very high	1 Å²	1	41 Å²	41	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-65.6	-39.7	-178.6	-69.8	170.8	55.2	0	0	112	W80 S83 E84 Y87 K100 E101 Q102 H107 A108	W80-M104 HydrophobicContact CD2-CE 4.1Å; W80-M104 VanDerWaalsContact CE2-CE 3.46Å; W80-M104 HydrophobicContact CG-CE 4.23Å; W80-M104 HydrophobicContact CH2-CB 4.28Å; W80-M104 HydrophobicContact CZ2-CB 4.31Å; W80-M104 HydrophobicContact CZ2-CE 3.9Å; W80-M104 HydrophobicContact CZ3-CB 4.49Å; S83-M104 VanDerWaalsContact CB-O 3.22Å; S83-M104 WeakPolarHBondContact CB-O 3.48Å; S83-M104 PolarHBondContact OG-O 2.98Å; S83-M104 VanDerWaalsContact OG-O 3.1Å; E84-M104 HydrophobicContact CB-CE 3.57Å; E84-M104 HydrophobicContact CB-SD 4.34Å; E84-M104 HydrophobicContact CG-CE 4.14Å; Y87-M104 HydrophobicContact CG-CG 4.44Å; K100-M104 HydrophobicContact CD-SD 4.24Å; K100-M104 VanDerWaalsContact CE-SD 3.52Å; K100-M104 HydrophobicContact CG-SD 3.64Å; K100-M104 VanDerWaalsContact O-CG 3.25Å; K100-M104 WeakPolarHBondContact O-CG 3.48Å; K100-M104 PolarHBondContact O-N 3.38Å; E101-M104 PolarHBondContact O-N 3.2Å; Q102-M104 VanDerWaalsContact C-N 3.29Å; Q102-M104 PolarHBondContact O-N 2.78Å; M104-H107 PolarHBondContact O-N 2.89Å; M104-A108 VanDerWaalsContact O-CB 3.22Å; M104-A108 WeakPolarHBondContact O-CB 3.24Å; M104-A108 PolarHBondContact O-N 3.07Å
105	A	98.7	Very high	96.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.1	-48.2	176.7	0	0	0	0	0	111.5	W80 E101 Q102 H107 A108 Y109 F140 L144	W80-A105 HydrophobicContact CH2-CB 4.43Å; W80-A105 HydrophobicContact CZ3-CB 4.06Å; E101-A105 VanDerWaalsContact O-CB 3.31Å; E101-A105 WeakPolarHBondContact O-CB 3.45Å; E101-A105 PolarHBondContact O-N 3.35Å; Q102-A105 PolarHBondContact O-N 3.45Å; A105-H107 PolarHBondContact O-N 3.39Å; A105-A108 PolarHBondContact O-N 3Å; A105-Y109 WeakPolarHBondContact O-CB 3.4Å; A105-Y109 PolarHBondContact O-N 3.33Å; A105-F140 HydrophobicContact CB-CD2 4.15Å; A105-F140 HydrophobicContact CB-CE2 4.08Å; A105-F140 WeakPolarHBondContact O-CE2 3.37Å; A105-L144 HydrophobicContact CB-CB 4.42Å
106	V	98.8	Very high	96.6	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-59.7	-48	175.6	174.8	0	0	0	0	110.8	L98 Q102 I103 A108 Y109 T110 L144 A147 I212 F215	L98-V106 HydrophobicContact CD1-CG2 4.26Å; Q102-V106 WeakPolarHBondContact O-CG2 3.22Å; Q102-V106 PolarHBondContact O-N 2.8Å; I103-V106 PolarHBondContact O-N 2.85Å; V106-A108 VanDerWaalsContact C-N 3.33Å; V106-A108 PolarHBondContact O-N 2.95Å; V106-Y109 PolarHBondContact O-N 3.12Å; V106-T110 WeakPolarHBondContact O-CG2 3.31Å; V106-T110 PolarHBondContact O-N 2.99Å; V106-L144 HydrophobicContact CG2-CD1 3.97Å; V106-A147 HydrophobicContact CG2-CB 3.57Å; V106-I212 HydrophobicContact CG1-CB 3.69Å; V106-I212 HydrophobicContact CG1-CD1 3.95Å; V106-I212 HydrophobicContact CG1-CG1 4.4Å; V106-I212 HydrophobicContact CG1-CG2 4.09Å; V106-I212 HydrophobicContact CG2-CG2 4.46Å; V106-F215 HydrophobicContact CB-CB 4.08Å; V106-F215 HydrophobicContact CG1-CB 3.57Å
107	H	98.6	Very high	96.7	Very high	10 Å²	10	34.3 Å²	34.3	5%	0.046	17%	0.17	C	C	.	.	H	α-helix	trans	-60.5	-44.9	178.9	-166.9	70.8	0	0	0	111.7	S83 Y86 I103 M104 A105 Y109 T110 L111 F215	S83-H107 PolarHBondContact OG-CD2 3.04Å; Y86-H107 HydrophobicContact CD1-CB 3.66Å; Y86-H107 AromaticContact CD1-CD2 3.76Å; Y86-H107 AromaticContact CD1-CE1 3.9Å; Y86-H107 AromaticContact CD1-CG 3.32Å; Y86-H107 AromaticContact CD1-ND1 3.45Å; Y86-H107 WeakPolarHBondContact CD1-ND1 3.28Å; Y86-H107 AromaticContact CD2-CE1 3.62Å; Y86-H107 AromaticContact CD2-ND1 3.92Å; Y86-H107 AromaticContact CD2-NE2 3.97Å; Y86-H107 HydrophobicContact CE1-CB 3.86Å; Y86-H107 AromaticContact CE1-CG 3.69Å; Y86-H107 AromaticContact CE1-ND1 3.45Å; Y86-H107 WeakPolarHBondContact CE1-ND1 3.38Å; Y86-H107 AromaticContact CE2-CE1 3.89Å; Y86-H107 AromaticContact CE2-ND1 3.94Å; Y86-H107 HydrophobicContact CG-CB 4.49Å; Y86-H107 AromaticContact CG-CD2 3.71Å; Y86-H107 AromaticContact CG-CE1 3.6Å; Y86-H107 AromaticContact CG-CG 3.71Å; Y86-H107 AromaticContact CG-ND1 3.66Å; Y86-H107 AromaticContact CG-NE2 3.64Å; Y86-H107 AromaticContact CZ-ND1 3.69Å; I103-H107 WeakPolarHBondContact O-CB 3.33Å; I103-H107 PolarHBondContact O-N 3.32Å; M104-H107 PolarHBondContact O-N 2.89Å; A105-H107 PolarHBondContact O-N 3.39Å; H107-Y109 VanDerWaalsContact C-N 3.34Å; H107-Y109 PolarHBondContact O-N 2.93Å; H107-T110 PolarHBondContact O-N 3.38Å; H107-T110 PolarHBondContact O-OG1 2.87Å; H107-L111 WeakPolarHBondContact O-CG 3.09Å; H107-L111 PolarHBondContact O-N 3.21Å; H107-F215 PolarHBondContact ND1-O 3.07Å; H107-F215 VanDerWaalsContact ND1-O 3.1Å
108	A	98.6	Very high	96.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.6	-43	-179.3	0	0	0	0	0	111.3	A79 S83 M104 A105 V106 T110 L111 I116 F140	A79-A108 HydrophobicContact CB-CB 4.16Å; S83-A108 WeakPolarHBondContact OG-CA 3.46Å; S83-A108 VanDerWaalsContact OG-CB 3.28Å; S83-A108 WeakPolarHBondContact OG-CB 3.36Å; S83-A108 PolarHBondContact OG-N 2.84Å; M104-A108 VanDerWaalsContact O-CB 3.22Å; M104-A108 WeakPolarHBondContact O-CB 3.24Å; M104-A108 PolarHBondContact O-N 3.07Å; A105-A108 PolarHBondContact O-N 3Å; V106-A108 VanDerWaalsContact C-N 3.33Å; V106-A108 PolarHBondContact O-N 2.95Å; A108-T110 PolarHBondContact O-N 3.29Å; A108-L111 PolarHBondContact O-N 2.76Å; A108-I116 WeakPolarHBondContact O-CG2 3.26Å; A108-F140 HydrophobicContact CB-CE2 3.86Å; A108-F140 HydrophobicContact CB-CZ 4.26Å
109	Y	98.6	Very high	96.5	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.016	17%	0.172	C	C	.	.	H	α-helix	trans	-57	-37.7	177.8	-178	-93.2	0	0	0	111.9	A105 V106 H107 L111 Y117 F120 N121 F140 L144 F182 S184 L225	A105-Y109 WeakPolarHBondContact O-CB 3.4Å; A105-Y109 PolarHBondContact O-N 3.33Å; V106-Y109 PolarHBondContact O-N 3.12Å; H107-Y109 VanDerWaalsContact C-N 3.34Å; H107-Y109 PolarHBondContact O-N 2.93Å; Y109-L111 PolarHBondContact O-N 3.44Å; Y109-Y117 WeakPolarHBondContact O-CB 3.17Å; Y109-Y117 WeakPolarHBondContact O-CD1 3.48Å; Y109-F120 HydrophobicContact CD2-CD1 4.06Å; Y109-F120 HydrophobicContact CD2-CE1 4.27Å; Y109-F120 HydrophobicContact CE2-CD1 4.06Å; Y109-F120 HydrophobicContact CE2-CE1 4.29Å; Y109-N121 PolarHBondContact OH-ND2 2.9Å; Y109-F140 HydrophobicContact CD2-CE1 4.43Å; Y109-F140 HydrophobicContact CD2-CZ 4.38Å; Y109-L144 HydrophobicContact CD2-CD2 3.63Å; Y109-L144 HydrophobicContact CE2-CD2 4.2Å; Y109-L144 HydrophobicContact CG-CD2 4.04Å; Y109-F182 HydrophobicContact CE2-CB 3.86Å; Y109-F182 PolarHBondContact OH-O 3.22Å; Y109-S184 WeakPolarHBondContact CE1-OG 3.41Å; Y109-S184 PolarHBondContact OH-OG 2.87Å; Y109-L225 HydrophobicContact CD1-CD1 4.22Å; Y109-L225 HydrophobicContact CD1-CD2 3.89Å; Y109-L225 HydrophobicContact CE1-CD1 3.38Å; Y109-L225 HydrophobicContact CE1-CD2 3.88Å; Y109-L225 HydrophobicContact CE1-CG 4.28Å; Y109-L225 HydrophobicContact CG-CD2 4.35Å
110	T	97.9	Very high	96.6	Very high	7 Å²	7	30.1 Å²	30.1	4%	0.043	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	4.4	-177.3	65.9	0	0	0	0	115.1	V106 H107 A108 I212 S216 K217 F218 E223	V106-T110 WeakPolarHBondContact O-CG2 3.31Å; V106-T110 PolarHBondContact O-N 2.99Å; H107-T110 PolarHBondContact O-N 3.38Å; H107-T110 PolarHBondContact O-OG1 2.87Å; A108-T110 PolarHBondContact O-N 3.29Å; T110-I212 HydrophobicContact CG2-CD1 3.79Å; T110-S216 WeakPolarHBondContact CB-OG 3.34Å; T110-S216 WeakPolarHBondContact CG2-OG 3.44Å; T110-S216 WeakPolarHBondContact OG1-CA 3.44Å; T110-K217 PolarHBondContact OG1-N 3.46Å; T110-F218 WeakPolarHBondContact O-CD2 3.42Å; T110-F218 VanDerWaalsContact O-CE2 3.24Å; T110-F218 WeakPolarHBondContact O-CE2 3.47Å; T110-E223 WeakPolarHBondContact CG2-OE2 3.42Å
111	L	97	Very high	96.6	Very high	11 Å²	11	27.6 Å²	27.6	6%	0.058	14%	0.14	C	C	.	.			trans	-75.1	139.8	178.2	-67.7	176.6	0	0	0	111.3	A79 K82 H107 A108 Y109 P115 K217	A79-L111 HydrophobicContact CB-CD1 4.02Å; K82-L111 HydrophobicContact CB-CD1 4.02Å; K82-L111 HydrophobicContact CD-CD1 4.31Å; H107-L111 WeakPolarHBondContact O-CG 3.09Å; H107-L111 PolarHBondContact O-N 3.21Å; A108-L111 PolarHBondContact O-N 2.76Å; Y109-L111 PolarHBondContact O-N 3.44Å; L111-P115 WeakPolarHBondContact O-CA 3.13Å; L111-K217 HydrophobicContact CD2-CB 4.2Å; L111-K217 HydrophobicContact CD2-CD 4.31Å; L111-K217 HydrophobicContact CD2-CG 4.13Å
112	E	92.6	Very high	96.5	Very high	82 Å²	82	30 Å²	30	38%	0.383	15%	0.15	S	C	.	.	S	Bend	trans	-84.8	-13.8	166.4	-73.2	-56.9	146.4	0	0	112.9	P115 F218	E112-P115 WeakPolarHBondContact O-CD 3.28Å; E112-F218 HydrophobicContact CB-CE2 4.44Å; E112-F218 HydrophobicContact CB-CZ 4.27Å; E112-F218 HydrophobicContact CG-CE2 3.64Å; E112-F218 HydrophobicContact CG-CZ 3.63Å
113	M	92.6	Very high	96.4	Very high	137 Å²	137	29.9 Å²	29.9	68%	0.675	15%	0.151	S	C	*	.	S	Bend	trans	-147.1	105.3	-175.8	-161.1	-165.5	-44.3	0	0	112.4	K82	K82-M113 WeakPolarHBondContact CD-O 3.3Å; K82-M113 PolarHBondContact NZ-O 3.1Å
114	P	93.7	Very high	96.4	Very high	12 Å²	12	29.8 Å²	29.8	8%	0.078	15%	0.15	C	C	.	.	S	Bend	cis	-71.1	148.3	-10.7	30.8	-31.2	0	0	0	111.1	N75 K78 A79 I116	N75-P114 HydrophobicContact CB-CB 3.89Å; N75-P114 HydrophobicContact CB-CG 4.09Å; N75-P114 WeakPolarHBondContact O-CG 3.44Å; K78-P114 HydrophobicContact CB-CG 4Å; A79-P114 HydrophobicContact CB-CG 3.96Å; P114-I116 PolarHBondContact O-N 3.14Å
115	P	91.5	Very high	96.3	Very high	44 Å²	44	32 Å²	32	29%	0.286	16%	0.159	S	C	.	.			trans	-79.7	67.8	-180	33.9	-35	0	0	0	111.4	L111 E112 Y117 A118	L111-P115 WeakPolarHBondContact O-CA 3.13Å; E112-P115 WeakPolarHBondContact O-CD 3.28Å; P115-Y117 HydrophobicContact CB-CD1 4.23Å; P115-Y117 HydrophobicContact CB-CE1 3.67Å; P115-Y117 PolarHBondContact O-N 2.92Å; P115-Y117 VanDerWaalsContact O-N 3.15Å; P115-A118 PolarHBondContact O-N 3.25Å; P115-A118 VanDerWaalsContact O-N 3.14Å
116	I	95.5	Very high	96.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-61.2	-28.3	-170.7	-164.8	61.3	0	0	0	112.8	N75 F76 A79 A108 P114 A118 E119 F120 Y137 F140	N75-I116 HydrophobicContact CB-CD1 4.13Å; F76-I116 HydrophobicContact CB-CD1 3.95Å; F76-I116 HydrophobicContact CB-CG1 4.49Å; F76-I116 HydrophobicContact CD2-CG1 4.45Å; A79-I116 HydrophobicContact CB-CB 4.21Å; A79-I116 HydrophobicContact CB-CG2 4.17Å; A108-I116 WeakPolarHBondContact O-CG2 3.26Å; P114-I116 PolarHBondContact O-N 3.14Å; I116-A118 PolarHBondContact O-N 2.91Å; I116-A118 VanDerWaalsContact O-N 3.07Å; I116-E119 PolarHBondContact O-N 3.16Å; I116-F120 WeakPolarHBondContact O-CB 3.23Å; I116-F120 PolarHBondContact O-N 2.84Å; I116-Y137 HydrophobicContact CD1-CE1 4.08Å; I116-F140 HydrophobicContact CG1-CE1 4.49Å; I116-F140 HydrophobicContact CG2-CE1 4.19Å; I116-F140 HydrophobicContact CG2-CZ 3.99Å
117	Y	95.1	Very high	96.2	Very high	74 Å²	74	35.5 Å²	35.5	29%	0.29	18%	0.178	S	C	.	.	H	α-helix	trans	-53.9	-30.1	177.4	67.3	-96.1	0	0	0	113	Y109 P115 N121	Y109-Y117 WeakPolarHBondContact O-CB 3.17Å; Y109-Y117 WeakPolarHBondContact O-CD1 3.48Å; P115-Y117 HydrophobicContact CB-CD1 4.23Å; P115-Y117 HydrophobicContact CB-CE1 3.67Å; P115-Y117 PolarHBondContact O-N 2.92Å; P115-Y117 VanDerWaalsContact O-N 3.15Å; Y117-N121 WeakPolarHBondContact O-CB 3.45Å; Y117-N121 VanDerWaalsContact O-CG 3.25Å; Y117-N121 PolarHBondContact O-N 3.19Å; Y117-N121 PolarHBondContact O-ND2 3.29Å
118	A	92.9	Very high	96.1	Very high	40 Å²	40	37.1 Å²	37.1	33%	0.331	19%	0.185	S	C	.	.	H	α-helix	trans	-72.4	-51.3	-177.8	0	0	0	0	0	111.7	P115 I116 K122	P115-A118 PolarHBondContact O-N 3.25Å; P115-A118 VanDerWaalsContact O-N 3.14Å; I116-A118 PolarHBondContact O-N 2.91Å; I116-A118 VanDerWaalsContact O-N 3.07Å; A118-K122 WeakPolarHBondContact O-CB 3.42Å; A118-K122 PolarHBondContact O-N 3.14Å
119	E	95.3	Very high	96	Very high	87 Å²	87	42 Å²	42	41%	0.407	22%	0.219	S	C	.	.	H	α-helix	trans	-67.2	-44.9	177.7	-67.7	172.4	-173.6	0	0	110.8	N75 I116 K122 A123	N75-E119 PolarHBondContact ND2-OE1 3.13Å; I116-E119 PolarHBondContact O-N 3.16Å; E119-K122 WeakPolarHBondContact O-CB 3.4Å; E119-K122 PolarHBondContact O-N 3.04Å; E119-A123 PolarHBondContact O-N 3.02Å
120	F	98.2	Very high	95.9	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-59.5	-54.3	177.5	170.7	-118.1	0	0	0	111.9	Y109 I116 K122 A123 V124 Y137 F140 H141 L144 F182	Y109-F120 HydrophobicContact CD2-CD1 4.06Å; Y109-F120 HydrophobicContact CD2-CE1 4.27Å; Y109-F120 HydrophobicContact CE2-CD1 4.06Å; Y109-F120 HydrophobicContact CE2-CE1 4.29Å; I116-F120 WeakPolarHBondContact O-CB 3.23Å; I116-F120 PolarHBondContact O-N 2.84Å; F120-K122 PolarHBondContact O-N 3.3Å; F120-A123 WeakPolarHBondContact O-CB 3.44Å; F120-A123 PolarHBondContact O-N 2.74Å; F120-V124 HydrophobicContact CD1-CG2 4.41Å; F120-V124 HydrophobicContact CD2-CG2 3.74Å; F120-V124 HydrophobicContact CE1-CG2 4.07Å; F120-V124 HydrophobicContact CE2-CG2 3.34Å; F120-V124 HydrophobicContact CG-CG2 4.28Å; F120-V124 HydrophobicContact CZ-CG2 3.54Å; F120-V124 WeakPolarHBondContact O-CG2 3.24Å; F120-V124 PolarHBondContact O-N 2.91Å; F120-Y137 HydrophobicContact CD2-CD1 4.21Å; F120-Y137 HydrophobicContact CD2-CD2 4.15Å; F120-Y137 AromaticContact CD2-CG 3.75Å; F120-Y137 HydrophobicContact CD2-CG 3.75Å; F120-Y137 HydrophobicContact CE2-CG 4.45Å; F120-F140 HydrophobicContact CB-CD1 4.18Å; F120-F140 HydrophobicContact CB-CE1 4.01Å; F120-F140 AromaticContact CD1-CD1 3.89Å; F120-F140 HydrophobicContact CD1-CD1 3.89Å; F120-F140 AromaticContact CD1-CE1 3.58Å; F120-F140 HydrophobicContact CD1-CE1 3.58Å; F120-F140 AromaticContact CD2-CD1 3.49Å; F120-F140 HydrophobicContact CD2-CD1 3.49Å; F120-F140 VanDerWaalsContact CD2-CD1 3.49Å; F120-F140 HydrophobicContact CD2-CE1 4.02Å; F120-F140 HydrophobicContact CE1-CD1 4.06Å; F120-F140 AromaticContact CE1-CE1 3.95Å; F120-F140 HydrophobicContact CE1-CE1 3.95Å; F120-F140 AromaticContact CE2-CD1 3.67Å; F120-F140 HydrophobicContact CE2-CD1 3.67Å; F120-F140 HydrophobicContact CE2-CE1 4.35Å; F120-F140 AromaticContact CG-CD1 3.57Å; F120-F140 HydrophobicContact CG-CD1 3.57Å; F120-F140 AromaticContact CG-CE1 3.59Å; F120-F140 HydrophobicContact CG-CE1 3.59Å; F120-F140 AromaticContact CZ-CD1 3.94Å; F120-F140 HydrophobicContact CZ-CD1 3.94Å; F120-F140 HydrophobicContact CZ-CE1 4.31Å; F120-H141 HydrophobicContact CE2-CB 4.07Å; F120-H141 HydrophobicContact CZ-CB 4.23Å; F120-L144 HydrophobicContact CE1-CD2 3.71Å; F120-L144 HydrophobicContact CZ-CD2 4.25Å; F120-F182 HydrophobicContact CE1-CB 4.41Å; F120-F182 AromaticContact CE1-CD2 3.4Å; F120-F182 HydrophobicContact CE1-CD2 3.4Å; F120-F182 VanDerWaalsContact CE1-CD2 3.4Å; F120-F182 AromaticContact CE1-CE2 3.88Å; F120-F182 HydrophobicContact CE1-CE2 3.88Å; F120-F182 HydrophobicContact CE1-CG 4.07Å; F120-F182 AromaticContact CZ-CD2 3.64Å; F120-F182 HydrophobicContact CZ-CD2 3.64Å; F120-F182 AromaticContact CZ-CE2 3.62Å; F120-F182 HydrophobicContact CZ-CE2 3.62Å
121	N	98	Very high	95.8	Very high	7 Å²	7	44 Å²	44	4%	0.037	23%	0.227	C	C	.	.	H	α-helix	trans	-66	-25.1	-178.7	-76.7	-38.8	0	0	0	112.9	Y109 Y117 R125 F182	Y109-N121 PolarHBondContact OH-ND2 2.9Å; Y117-N121 WeakPolarHBondContact O-CB 3.45Å; Y117-N121 VanDerWaalsContact O-CG 3.25Å; Y117-N121 PolarHBondContact O-N 3.19Å; Y117-N121 PolarHBondContact O-ND2 3.29Å; N121-R125 WeakPolarHBondContact O-CB 3.49Å; N121-R125 VanDerWaalsContact O-CG 3.24Å; N121-R125 WeakPolarHBondContact O-CG 3.24Å; N121-R125 PolarHBondContact O-N 2.9Å; N121-R125 VanDerWaalsContact O-N 3.09Å; N121-R125 PolarHBondContact O-NH1 2.96Å; N121-F182 PolarHBondContact ND2-O 2.89Å; N121-F182 VanDerWaalsContact ND2-O 3.13Å; N121-F182 WeakPolarHBondContact OD1-CB 3.26Å; N121-F182 PolarHBondContact OD1-N 2.9Å; N121-F182 VanDerWaalsContact OD1-N 3.1Å; N121-F182 PolarHBondContact OD1-O 3.07Å
122	K	96.4	Very high	95.6	Very high	103 Å²	103	48.6 Å²	48.6	45%	0.448	25%	0.25	S	S	.	.	H	α-helix	trans	-66.5	-48	170.3	-178.8	-174.6	175.1	-173	0	110.7	H27 A118 E119 F120 R125 T126	H27-K122 HydrophobicContact CB-CD 4.44Å; A118-K122 WeakPolarHBondContact O-CB 3.42Å; A118-K122 PolarHBondContact O-N 3.14Å; E119-K122 WeakPolarHBondContact O-CB 3.4Å; E119-K122 PolarHBondContact O-N 3.04Å; F120-K122 PolarHBondContact O-N 3.3Å; K122-R125 PolarHBondContact O-N 2.88Å; K122-T126 WeakPolarHBondContact O-CG2 3.13Å; K122-T126 PolarHBondContact O-N 3.21Å; K122-T126 PolarHBondContact O-OG1 3.08Å
123	A	97.8	Very high	95.6	Very high	7 Å²	7	50 Å²	50	6%	0.058	26%	0.264	C	S	.	.	H	α-helix	trans	-58.8	-50.2	176.2	0	0	0	0	0	111	E119 F120 R125 T126 Q127 F135 Y137	E119-A123 PolarHBondContact O-N 3.02Å; F120-A123 WeakPolarHBondContact O-CB 3.44Å; F120-A123 PolarHBondContact O-N 2.74Å; A123-R125 VanDerWaalsContact C-N 3.32Å; A123-R125 PolarHBondContact O-N 3.14Å; A123-T126 PolarHBondContact O-N 3.27Å; A123-Q127 VanDerWaalsContact CB-OE1 3.24Å; A123-Q127 VanDerWaalsContact O-CB 3.31Å; A123-Q127 WeakPolarHBondContact O-CB 3.27Å; A123-Q127 PolarHBondContact O-N 2.91Å; A123-F135 HydrophobicContact CB-CD2 4.12Å; A123-F135 HydrophobicContact CB-CE2 3.91Å; A123-Y137 HydrophobicContact CB-CD2 3.66Å; A123-Y137 HydrophobicContact CB-CE2 3.71Å
124	V	98.4	Very high	95.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-56	-44.5	178.8	178.2	0	0	0	0	111.5	S48 V49 F120 T126 F135 P228	S48-V124 CarbonylContact C-O 3.59Å; S48-V124 VanDerWaalsContact CA-O 3.28Å; S48-V124 WeakPolarHBondContact CA-O 3.41Å; V49-V124 HydrophobicContact CB-CG1 4.29Å; V49-V124 PolarHBondContact N-O 2.83Å; V49-V124 VanDerWaalsContact O-CG1 3.24Å; V49-V124 WeakPolarHBondContact O-CG1 3.39Å; F120-V124 HydrophobicContact CD1-CG2 4.41Å; F120-V124 HydrophobicContact CD2-CG2 3.74Å; F120-V124 HydrophobicContact CE1-CG2 4.07Å; F120-V124 HydrophobicContact CE2-CG2 3.34Å; F120-V124 HydrophobicContact CG-CG2 4.28Å; F120-V124 HydrophobicContact CZ-CG2 3.54Å; F120-V124 WeakPolarHBondContact O-CG2 3.24Å; F120-V124 PolarHBondContact O-N 2.91Å; V124-T126 PolarHBondContact O-N 3.03Å; V124-F135 HydrophobicContact CG2-CE2 4.19Å; V124-F135 HydrophobicContact CG2-CZ 4.16Å; V124-P228 HydrophobicContact CG1-CB 4.25Å
125	R	97	Very high	95.8	Very high	48 Å²	48	48.9 Å²	48.9	18%	0.181	25%	0.254	C	S	.	.	H	α-helix	trans	-67.7	-16.6	-179.7	-76	-179.4	-165.7	105.9	9.7	115.6	N47 N121 K122 A123 F179 G180	N47-R125 CarbonylContact C-O 3.49Å; N47-R125 CarbonylContact O-C 3.46Å; N121-R125 WeakPolarHBondContact O-CB 3.49Å; N121-R125 VanDerWaalsContact O-CG 3.24Å; N121-R125 WeakPolarHBondContact O-CG 3.24Å; N121-R125 PolarHBondContact O-N 2.9Å; N121-R125 VanDerWaalsContact O-N 3.09Å; N121-R125 PolarHBondContact O-NH1 2.96Å; K122-R125 PolarHBondContact O-N 2.88Å; A123-R125 VanDerWaalsContact C-N 3.32Å; A123-R125 PolarHBondContact O-N 3.14Å; R125-F179 PolarHBondContact NE-O 3.29Å; R125-G180 VanDerWaalsContact CA-O 3.22Å; R125-G180 WeakPolarHBondContact CA-O 3.14Å; R125-G180 WeakPolarHBondContact CG-O 3.37Å; R125-G180 PolarHBondContact N-O 2.94Å
126	T	96.3	Very high	96.1	Very high	36 Å²	36	52.9 Å²	52.9	22%	0.221	27%	0.269	C	S	.	.	H	α-helix	trans	-133.6	-18.3	-160.4	62.8	0	0	0	0	115.3	G29 N47 K122 A123 V124	G29-T126 VanDerWaalsContact CA-CG2 3.42Å; N47-T126 CarbonylContact O-C 3.57Å; N47-T126 PolarHBondContact O-N 3.45Å; K122-T126 WeakPolarHBondContact O-CG2 3.13Å; K122-T126 PolarHBondContact O-N 3.21Å; K122-T126 PolarHBondContact O-OG1 3.08Å; A123-T126 PolarHBondContact O-N 3.27Å; V124-T126 PolarHBondContact O-N 3.03Å
127	Q	97.4	Very high	96.2	Very high	37 Å²	37	54.2 Å²	54.2	17%	0.173	28%	0.275	C	S	.	.			trans	-108.5	22.7	-167.8	-64.6	-167.3	-55.2	0	0	113.9	A123 S129 E130 Y131 F135	A123-Q127 VanDerWaalsContact CB-OE1 3.24Å; A123-Q127 VanDerWaalsContact O-CB 3.31Å; A123-Q127 WeakPolarHBondContact O-CB 3.27Å; A123-Q127 PolarHBondContact O-N 2.91Å; Q127-S129 VanDerWaalsContact C-N 3.3Å; Q127-S129 PolarHBondContact O-N 3.11Å; Q127-E130 HydrophobicContact CB-CB 4.26Å; Q127-E130 PolarHBondContact NE2-OE2 2.8Å; Q127-E130 CarbonylContact O-C 3.59Å; Q127-E130 VanDerWaalsContact O-C 3.31Å; Q127-E130 WeakPolarHBondContact O-CA 3.31Å; Q127-E130 PolarHBondContact O-N 3.03Å; Q127-Y131 PolarHBondContact O-N 2.77Å; Q127-F135 HydrophobicContact CB-CD2 4.04Å
128	K	96.6	Very high	96.3	Very high	44 Å²	44	50.8 Å²	50.8	19%	0.191	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-52.3	-48.2	172.9	-169.8	-170.6	74.9	179.3	0	112.2	Q46 N47 S48 E130 Y131 E263 L264	Q46-K128 WeakPolarHBondContact O-CD 3.41Å; Q46-K128 WeakPolarHBondContact O-CE 3.1Å; Q46-K128 PolarHBondContact O-NZ 2.91Å; N47-K128 VanDerWaalsContact O-CB 3.28Å; N47-K128 WeakPolarHBondContact O-CB 3.45Å; N47-K128 PolarHBondContact O-N 3.07Å; S48-K128 WeakPolarHBondContact O-CB 3.37Å; S48-K128 WeakPolarHBondContact O-CD 3.06Å; S48-K128 WeakPolarHBondContact O-CG 3.34Å; K128-E130 PolarHBondContact O-N 3.48Å; K128-Y131 VanDerWaalsContact O-CB 3.29Å; K128-Y131 WeakPolarHBondContact O-CB 3.41Å; K128-Y131 PolarHBondContact O-N 2.85Å; K128-E263 HydrophobicContact CD-CB 4.3Å; K128-E263 IonicContact NZ-OE2 2.73Å; K128-E263 PolarHBondContact NZ-OE2 3.39Å; K128-L264 HydrophobicContact CG-CD1 3.95Å; K128-L264 HydrophobicContact CG-CD2 4.29Å; K128-L264 HydrophobicContact CG-CG 3.99Å
129	S	96.5	Very high	96.6	Very high	103 Å²	103	48.9 Å²	48.9	72%	0.72	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-68.2	-14.1	178	55.4	0	0	0	0	113.9	Q127	Q127-S129 VanDerWaalsContact C-N 3.3Å; Q127-S129 PolarHBondContact O-N 3.11Å
130	E	96.4	Very high	96.7	Very high	48 Å²	48	44.7 Å²	44.7	22%	0.224	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-109.7	13.1	178.2	-52.2	-173.8	141.2	0	0	112	Q127 K128 M132 T133 K134 F135	Q127-E130 HydrophobicContact CB-CB 4.26Å; Q127-E130 PolarHBondContact NE2-OE2 2.8Å; Q127-E130 CarbonylContact O-C 3.59Å; Q127-E130 VanDerWaalsContact O-C 3.31Å; Q127-E130 WeakPolarHBondContact O-CA 3.31Å; Q127-E130 PolarHBondContact O-N 3.03Å; K128-E130 PolarHBondContact O-N 3.48Å; E130-M132 PolarHBondContact O-N 3.32Å; E130-T133 CarbonylContact O-C 3.54Å; E130-T133 PolarHBondContact O-N 3.42Å; E130-T133 PolarHBondContact O-OG1 2.62Å; E130-K134 HydrophobicContact CB-CB 3.99Å; E130-K134 HydrophobicContact CB-CG 4.4Å; E130-K134 PolarHBondContact O-N 3.48Å; E130-K134 WeakPolarHBondContact OE1-CD 3.5Å; E130-K134 WeakPolarHBondContact OE1-CE 3.41Å; E130-K134 IonicContact OE1-NZ 3.34Å; E130-K134 PolarHBondContact OE1-NZ 3.44Å; E130-F135 PolarHBondContact O-N 2.03Å
131	Y	96.1	Very high	96.8	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.016	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-54.9	-174.7	-173.7	-106.7	0	0	0	111	V49 Q127 K128 T133 F135 H138 L264 A267 L268	V49-Y131 HydrophobicContact CG1-CD2 3.64Å; V49-Y131 HydrophobicContact CG1-CE2 3.53Å; V49-Y131 HydrophobicContact CG2-CD2 4.05Å; Q127-Y131 PolarHBondContact O-N 2.77Å; K128-Y131 VanDerWaalsContact O-CB 3.29Å; K128-Y131 WeakPolarHBondContact O-CB 3.41Å; K128-Y131 PolarHBondContact O-N 2.85Å; Y131-T133 PolarHBondContact O-N 2.77Å; Y131-T133 VanDerWaalsContact O-N 3.07Å; Y131-F135 AromaticContact CD2-CD1 3.81Å; Y131-F135 HydrophobicContact CD2-CD1 3.81Å; Y131-F135 HydrophobicContact CD2-CE1 4.28Å; Y131-F135 HydrophobicContact CD2-CG 4.24Å; Y131-F135 AromaticContact CE2-CD1 3.89Å; Y131-F135 HydrophobicContact CE2-CD1 3.89Å; Y131-F135 HydrophobicContact CE2-CE1 4.03Å; Y131-F135 WeakPolarHBondContact O-CB 3.35Å; Y131-H138 AromaticContact CE2-CD2 3.63Å; Y131-H138 AromaticContact CE2-NE2 3.98Å; Y131-H138 AromaticContact CZ-CD2 3.53Å; Y131-H138 PolarHBondContact O-CE1 3.3Å; Y131-H138 VanDerWaalsContact O-CE1 3.29Å; Y131-H138 PolarHBondContact O-NE2 3.39Å; Y131-L264 HydrophobicContact CD1-CD1 4.26Å; Y131-L264 HydrophobicContact CD1-CD2 4.46Å; Y131-L264 HydrophobicContact CD2-CD1 3.71Å; Y131-L264 HydrophobicContact CE2-CD1 4.12Å; Y131-L264 HydrophobicContact CG-CD1 3.79Å; Y131-A267 HydrophobicContact CD1-CB 4Å; Y131-A267 HydrophobicContact CE1-CB 3.75Å; Y131-L268 HydrophobicContact CE1-CG 4.1Å
132	M	93.6	Very high	96.8	Very high	108 Å²	108	44.5 Å²	44.5	53%	0.532	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-3.1	-179.5	-59.5	-57.4	-77.2	0	0	115.1	E130 A267 L268	E130-M132 PolarHBondContact O-N 3.32Å; M132-A267 WeakPolarHBondContact CE-O 3.43Å; M132-A267 HydrophobicContact SD-CB 4.41Å; M132-L268 HydrophobicContact CE-CD2 4.06Å; M132-L268 HydrophobicContact SD-CD2 3.84Å
133	T	93	Very high	96.9	Very high	111 Å²	111	40 Å²	40	68%	0.681	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-128.3	-65.2	-170.7	56.5	0	0	0	0	114	E130 Y131	E130-T133 CarbonylContact O-C 3.54Å; E130-T133 PolarHBondContact O-N 3.42Å; E130-T133 PolarHBondContact O-OG1 2.62Å; Y131-T133 PolarHBondContact O-N 2.77Å; Y131-T133 VanDerWaalsContact O-N 3.07Å
134	K	94.2	Very high	97	Very high	122 Å²	122	39.6 Å²	39.6	53%	0.53	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-10.1	-171.6	-53.8	-171.8	-161.8	149.9	0	113.9	E130 Q136	E130-K134 HydrophobicContact CB-CB 3.99Å; E130-K134 HydrophobicContact CB-CG 4.4Å; E130-K134 PolarHBondContact O-N 3.48Å; E130-K134 WeakPolarHBondContact OE1-CD 3.5Å; E130-K134 WeakPolarHBondContact OE1-CE 3.41Å; E130-K134 IonicContact OE1-NZ 3.34Å; E130-K134 PolarHBondContact OE1-NZ 3.44Å; K134-Q136 WeakPolarHBondContact O-CG 3.48Å; K134-Q136 PolarHBondContact O-N 2.83Å
135	F	96.8	Very high	97	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.018	20%	0.202	C	C	.	.			trans	-66.5	126.6	173.9	-170.6	-111	0	0	0	109.4	V49 A123 V124 Q127 E130 Y131 Y137 H138 H141	V49-F135 HydrophobicContact CB-CE2 4.32Å; V49-F135 HydrophobicContact CB-CZ 4.27Å; V49-F135 HydrophobicContact CG1-CE1 4.09Å; V49-F135 HydrophobicContact CG1-CE2 4.44Å; V49-F135 HydrophobicContact CG1-CZ 3.94Å; V49-F135 HydrophobicContact CG2-CD2 3.99Å; V49-F135 HydrophobicContact CG2-CE2 3.84Å; V49-F135 HydrophobicContact CG2-CG 4.45Å; V49-F135 HydrophobicContact CG2-CZ 4.19Å; A123-F135 HydrophobicContact CB-CD2 4.12Å; A123-F135 HydrophobicContact CB-CE2 3.91Å; V124-F135 HydrophobicContact CG2-CE2 4.19Å; V124-F135 HydrophobicContact CG2-CZ 4.16Å; Q127-F135 HydrophobicContact CB-CD2 4.04Å; E130-F135 PolarHBondContact O-N 2.03Å; Y131-F135 AromaticContact CD2-CD1 3.81Å; Y131-F135 HydrophobicContact CD2-CD1 3.81Å; Y131-F135 HydrophobicContact CD2-CE1 4.28Å; Y131-F135 HydrophobicContact CD2-CG 4.24Å; Y131-F135 AromaticContact CE2-CD1 3.89Å; Y131-F135 HydrophobicContact CE2-CD1 3.89Å; Y131-F135 HydrophobicContact CE2-CE1 4.03Å; Y131-F135 WeakPolarHBondContact O-CB 3.35Å; F135-Y137 VanDerWaalsContact CE1-C 3.43Å; F135-Y137 HydrophobicContact CE2-CD2 4.38Å; F135-H138 AromaticContact CD1-CD2 3.78Å; F135-H138 AromaticContact CD1-CE1 3.86Å; F135-H138 AromaticContact CD1-CG 3.93Å; F135-H138 AromaticContact CD1-ND1 3.95Å; F135-H138 AromaticContact CD1-NE2 3.74Å; F135-H138 PolarHBondContact O-CE1 3.14Å; F135-H138 PolarHBondContact O-ND1 2.88Å; F135-H141 HydrophobicContact CE1-CB 4.24Å; F135-H141 HydrophobicContact CZ-CB 4.24Å
136	Q	96.2	Very high	97	Very high	128 Å²	128	38.4 Å²	38.4	60%	0.598	20%	0.199	S	C	*	.			trans	-116.2	20.1	-172.4	-59.5	-176.5	-4.9	0	0	112.9	E71 K134	E71-Q136 WeakPolarHBondContact CB-O 3.47Å; E71-Q136 VanDerWaalsContact CG-O 3.28Å; E71-Q136 WeakPolarHBondContact CG-O 3.48Å; K134-Q136 WeakPolarHBondContact O-CG 3.48Å; K134-Q136 PolarHBondContact O-N 2.83Å
137	Y	97.8	Very high	97.1	Very high	28 Å²	28	36.7 Å²	36.7	11%	0.11	19%	0.188	C	C	.	.			trans	-133.1	31.1	-173.3	-56.8	-73.8	0	0	0	111.9	E71 F76 I116 F120 A123 F135 A139 F140 H141	E71-Y137 PolarHBondContact OE1-N 2.8Å; F76-Y137 HydrophobicContact CB-CE1 4.18Å; F76-Y137 HydrophobicContact CD1-CD1 4.32Å; F76-Y137 HydrophobicContact CG-CD1 4.44Å; F76-Y137 HydrophobicContact CG-CE1 4.39Å; I116-Y137 HydrophobicContact CD1-CE1 4.08Å; F120-Y137 HydrophobicContact CD2-CD1 4.21Å; F120-Y137 HydrophobicContact CD2-CD2 4.15Å; F120-Y137 AromaticContact CD2-CG 3.75Å; F120-Y137 HydrophobicContact CD2-CG 3.75Å; F120-Y137 HydrophobicContact CE2-CG 4.45Å; A123-Y137 HydrophobicContact CB-CD2 3.66Å; A123-Y137 HydrophobicContact CB-CE2 3.71Å; F135-Y137 VanDerWaalsContact CE1-C 3.43Å; F135-Y137 HydrophobicContact CE2-CD2 4.38Å; Y137-A139 PolarHBondContact O-N 2.81Å; Y137-F140 PolarHBondContact O-N 2.58Å; Y137-H141 WeakPolarHBondContact O-CB 3.49Å; Y137-H141 PolarHBondContact O-N 2.84Å
138	H	98.3	Very high	97.2	Very high	1 Å²	1	35 Å²	35	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-58.6	-49.2	179.2	-62.1	93.2	0	0	0	111.2	W67 E71 Y131 F135 H141 F142 L268	W67-H138 AromaticContact CE3-ND1 3.89Å; E71-H138 VanDerWaalsContact CD-N 3.34Å; E71-H138 WeakPolarHBondContact OE1-CB 3.1Å; E71-H138 IonicContact OE1-CG 3.42Å; E71-H138 PolarHBondContact OE1-N 2.82Å; E71-H138 IonicContact OE1-ND1 2.82Å; E71-H138 PolarHBondContact OE1-ND1 2.8Å; E71-H138 PolarHBondContact OE2-N 2.94Å; E71-H138 VanDerWaalsContact OE2-N 3.14Å; Y131-H138 AromaticContact CE2-CD2 3.63Å; Y131-H138 AromaticContact CE2-NE2 3.98Å; Y131-H138 AromaticContact CZ-CD2 3.53Å; Y131-H138 PolarHBondContact O-CE1 3.3Å; Y131-H138 VanDerWaalsContact O-CE1 3.29Å; Y131-H138 PolarHBondContact O-NE2 3.39Å; F135-H138 AromaticContact CD1-CD2 3.78Å; F135-H138 AromaticContact CD1-CE1 3.86Å; F135-H138 AromaticContact CD1-CG 3.93Å; F135-H138 AromaticContact CD1-ND1 3.95Å; F135-H138 AromaticContact CD1-NE2 3.74Å; F135-H138 PolarHBondContact O-CE1 3.14Å; F135-H138 PolarHBondContact O-ND1 2.88Å; H138-H141 PolarHBondContact O-N 3.19Å; H138-F142 WeakPolarHBondContact O-CB 3.49Å; H138-F142 PolarHBondContact O-N 3.37Å; H138-L268 HydrophobicContact CB-CD1 3.8Å; H138-L268 WeakPolarHBondContact CD2-CD1 3.4Å
139	A	98.2	Very high	97.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-66.3	-42.6	179.8	0	0	0	0	0	111.5	V64 L68 E71 Y137 F142 Y143	V64-A139 HydrophobicContact CB-CB 3.95Å; L68-A139 HydrophobicContact CB-CB 3.71Å; L68-A139 HydrophobicContact CD1-CB 3.8Å; L68-A139 HydrophobicContact CG-CB 4.33Å; E71-A139 WeakPolarHBondContact OE2-CB 3.31Å; E71-A139 PolarHBondContact OE2-N 2.95Å; Y137-A139 PolarHBondContact O-N 2.81Å; A139-F142 PolarHBondContact O-N 2.91Å; A139-Y143 HydrophobicContact CB-CD2 4.36Å; A139-Y143 HydrophobicContact CB-CE2 4.15Å; A139-Y143 WeakPolarHBondContact O-CD2 3.36Å; A139-Y143 PolarHBondContact O-N 3.19Å
140	F	98.5	Very high	97.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-65	-43.4	179.5	-167.2	-129.5	0	0	0	112.2	F76 W80 A105 A108 Y109 I116 F120 Y137 L144	F76-F140 HydrophobicContact CE1-CB 4.29Å; F76-F140 HydrophobicContact CE2-CB 3.87Å; F76-F140 AromaticContact CE2-CD2 3.68Å; F76-F140 HydrophobicContact CE2-CD2 3.68Å; F76-F140 HydrophobicContact CE2-CE2 4.39Å; F76-F140 AromaticContact CE2-CG 3.81Å; F76-F140 HydrophobicContact CE2-CG 3.81Å; F76-F140 HydrophobicContact CZ-CB 3.67Å; F76-F140 HydrophobicContact CZ-CD2 4.21Å; F76-F140 HydrophobicContact CZ-CG 4.15Å; W80-F140 HydrophobicContact CE3-CD2 4.43Å; W80-F140 HydrophobicContact CZ3-CD2 4.06Å; A105-F140 HydrophobicContact CB-CD2 4.15Å; A105-F140 HydrophobicContact CB-CE2 4.08Å; A105-F140 WeakPolarHBondContact O-CE2 3.37Å; A108-F140 HydrophobicContact CB-CE2 3.86Å; A108-F140 HydrophobicContact CB-CZ 4.26Å; Y109-F140 HydrophobicContact CD2-CE1 4.43Å; Y109-F140 HydrophobicContact CD2-CZ 4.38Å; I116-F140 HydrophobicContact CG1-CE1 4.49Å; I116-F140 HydrophobicContact CG2-CE1 4.19Å; I116-F140 HydrophobicContact CG2-CZ 3.99Å; F120-F140 HydrophobicContact CB-CD1 4.18Å; F120-F140 HydrophobicContact CB-CE1 4.01Å; F120-F140 AromaticContact CD1-CD1 3.89Å; F120-F140 HydrophobicContact CD1-CD1 3.89Å; F120-F140 AromaticContact CD1-CE1 3.58Å; F120-F140 HydrophobicContact CD1-CE1 3.58Å; F120-F140 AromaticContact CD2-CD1 3.49Å; F120-F140 HydrophobicContact CD2-CD1 3.49Å; F120-F140 VanDerWaalsContact CD2-CD1 3.49Å; F120-F140 HydrophobicContact CD2-CE1 4.02Å; F120-F140 HydrophobicContact CE1-CD1 4.06Å; F120-F140 AromaticContact CE1-CE1 3.95Å; F120-F140 HydrophobicContact CE1-CE1 3.95Å; F120-F140 AromaticContact CE2-CD1 3.67Å; F120-F140 HydrophobicContact CE2-CD1 3.67Å; F120-F140 HydrophobicContact CE2-CE1 4.35Å; F120-F140 AromaticContact CG-CD1 3.57Å; F120-F140 HydrophobicContact CG-CD1 3.57Å; F120-F140 AromaticContact CG-CE1 3.59Å; F120-F140 HydrophobicContact CG-CE1 3.59Å; F120-F140 AromaticContact CZ-CD1 3.94Å; F120-F140 HydrophobicContact CZ-CD1 3.94Å; F120-F140 HydrophobicContact CZ-CE1 4.31Å; Y137-F140 PolarHBondContact O-N 2.58Å; F140-L144 WeakPolarHBondContact O-CB 3.19Å; F140-L144 PolarHBondContact O-N 2.56Å
141	H	98.7	Very high	97.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.3	-47.4	175.7	-173.3	-80.4	0	0	0	111.4	V49 D51 Y53 F120 F135 Y137 H138 T145 F182	V49-H141 PolarHBondContact O-NE2 3.39Å; D51-H141 PolarHBondContact O-CE1 3.31Å; Y53-H141 AromaticContact CE2-ND1 3.57Å; Y53-H141 AromaticContact CZ-ND1 3.55Å; Y53-H141 PolarHBondContact OH-ND1 2.78Å; F120-H141 HydrophobicContact CE2-CB 4.07Å; F120-H141 HydrophobicContact CZ-CB 4.23Å; F135-H141 HydrophobicContact CE1-CB 4.24Å; F135-H141 HydrophobicContact CZ-CB 4.24Å; Y137-H141 WeakPolarHBondContact O-CB 3.49Å; Y137-H141 PolarHBondContact O-N 2.84Å; H138-H141 PolarHBondContact O-N 3.19Å; H141-T145 VanDerWaalsContact O-CB 3.3Å; H141-T145 WeakPolarHBondContact O-CB 3.36Å; H141-T145 PolarHBondContact O-N 3.15Å; H141-T145 PolarHBondContact O-OG1 2.79Å; H141-F182 AromaticContact CD2-CE2 3.57Å; H141-F182 AromaticContact NE2-CE2 3.68Å
142	F	98.7	Very high	96.9	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.009	17%	0.169	C	C	.	.	H	α-helix	trans	-59.3	-56.5	177.7	176.2	-97.6	0	0	0	112.2	Y53 E57 M60 E61 V64 H138 A139 L144 T145 M146	Y53-F142 AromaticContact CD1-CD2 3.84Å; Y53-F142 HydrophobicContact CD1-CD2 3.84Å; Y53-F142 HydrophobicContact CD1-CE2 4.39Å; Y53-F142 AromaticContact CD2-CD2 3.6Å; Y53-F142 HydrophobicContact CD2-CD2 3.6Å; Y53-F142 HydrophobicContact CD2-CE2 4.21Å; Y53-F142 HydrophobicContact CE1-CB 4.49Å; Y53-F142 AromaticContact CE1-CD2 3.99Å; Y53-F142 HydrophobicContact CE1-CD2 3.99Å; Y53-F142 HydrophobicContact CE2-CB 4.03Å; Y53-F142 AromaticContact CE2-CD2 3.79Å; Y53-F142 HydrophobicContact CE2-CD2 3.79Å; Y53-F142 HydrophobicContact CE2-CG 4.38Å; Y53-F142 AromaticContact CG-CD2 3.61Å; Y53-F142 HydrophobicContact CG-CD2 3.61Å; Y53-F142 AromaticContact CG-CE2 3.97Å; Y53-F142 HydrophobicContact CG-CE2 3.97Å; Y53-F142 AromaticContact CZ-CD2 3.94Å; Y53-F142 PolarHBondContact OH-N 3.42Å; E57-F142 WeakPolarHBondContact O-CZ 3.33Å; M60-F142 HydrophobicContact CB-CD2 3.95Å; M60-F142 HydrophobicContact CB-CE2 3.58Å; M60-F142 HydrophobicContact CB-CZ 4.24Å; M60-F142 HydrophobicContact CG-CD2 3.32Å; M60-F142 HydrophobicContact CG-CE2 3.53Å; M60-F142 HydrophobicContact CG-CG 4.09Å; M60-F142 HydrophobicContact CG-CZ 4.42Å; E61-F142 HydrophobicContact CB-CE1 3.75Å; E61-F142 HydrophobicContact CB-CZ 3.77Å; E61-F142 HydrophobicContact CG-CE1 4.1Å; V64-F142 HydrophobicContact CB-CB 4.44Å; V64-F142 HydrophobicContact CB-CD1 4.46Å; V64-F142 HydrophobicContact CG1-CB 3.71Å; V64-F142 HydrophobicContact CG1-CD1 4.4Å; V64-F142 HydrophobicContact CG1-CG 4.03Å; V64-F142 HydrophobicContact CG2-CB 4.15Å; V64-F142 HydrophobicContact CG2-CD1 3.35Å; V64-F142 HydrophobicContact CG2-CE1 3.92Å; V64-F142 HydrophobicContact CG2-CG 3.85Å; H138-F142 WeakPolarHBondContact O-CB 3.49Å; H138-F142 PolarHBondContact O-N 3.37Å; A139-F142 PolarHBondContact O-N 2.91Å; F142-L144 VanDerWaalsContact C-N 3.28Å; F142-L144 PolarHBondContact O-N 2.67Å; F142-T145 WeakPolarHBondContact O-CB 3.44Å; F142-T145 PolarHBondContact O-N 3.15Å; F142-T145 VanDerWaalsContact O-N 3.17Å; F142-M146 HydrophobicContact CD1-CG 4.29Å; F142-M146 HydrophobicContact CD2-CG 4.11Å; F142-M146 HydrophobicContact CE1-CG 3.87Å; F142-M146 HydrophobicContact CE2-CG 3.65Å; F142-M146 HydrophobicContact CE2-SD 4.16Å; F142-M146 HydrophobicContact CG-CG 4.42Å; F142-M146 HydrophobicContact CZ-CG 3.53Å; F142-M146 HydrophobicContact CZ-SD 4.39Å; F142-M146 WeakPolarHBondContact O-CG 3.4Å; F142-M146 PolarHBondContact O-N 3.18Å
143	Y	98.8	Very high	96.4	Very high	8 Å²	8	34.4 Å²	34.4	3%	0.031	18%	0.177	C	C	.	.	H	α-helix	trans	-64.2	-34.8	-176.4	-69	-54.5	0	0	0	112.5	E61 V64 L68 W80 E101 A139 A147	E61-Y143 HydrophobicContact CG-CE1 4.41Å; V64-Y143 HydrophobicContact CG2-CE1 4.25Å; V64-Y143 HydrophobicContact CG2-CE2 4.04Å; L68-Y143 HydrophobicContact CD2-CE2 4.19Å; W80-Y143 AromaticContact CH2-CD2 3.79Å; W80-Y143 HydrophobicContact CH2-CD2 3.79Å; W80-Y143 HydrophobicContact CH2-CE2 4.34Å; E101-Y143 HydrophobicContact CB-CD1 3.54Å; E101-Y143 HydrophobicContact CB-CD2 3.98Å; E101-Y143 HydrophobicContact CB-CE1 3.5Å; E101-Y143 HydrophobicContact CB-CE2 3.94Å; E101-Y143 HydrophobicContact CB-CG 3.8Å; E101-Y143 HydrophobicContact CG-CE1 4.04Å; E101-Y143 HydrophobicContact CG-CE2 4.16Å; A139-Y143 HydrophobicContact CB-CD2 4.36Å; A139-Y143 HydrophobicContact CB-CE2 4.15Å; A139-Y143 WeakPolarHBondContact O-CD2 3.36Å; A139-Y143 PolarHBondContact O-N 3.19Å; Y143-A147 WeakPolarHBondContact O-CB 3.45Å; Y143-A147 PolarHBondContact O-N 2.94Å
144	L	98.8	Very high	95.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-69.9	-41.9	175.6	-166	62.9	0	0	0	111.5	A105 V106 Y109 F120 F140 F142 A147 L148 F182 L225	A105-L144 HydrophobicContact CB-CB 4.42Å; V106-L144 HydrophobicContact CG2-CD1 3.97Å; Y109-L144 HydrophobicContact CD2-CD2 3.63Å; Y109-L144 HydrophobicContact CE2-CD2 4.2Å; Y109-L144 HydrophobicContact CG-CD2 4.04Å; F120-L144 HydrophobicContact CE1-CD2 3.71Å; F120-L144 HydrophobicContact CZ-CD2 4.25Å; F140-L144 WeakPolarHBondContact O-CB 3.19Å; F140-L144 PolarHBondContact O-N 2.56Å; F142-L144 VanDerWaalsContact C-N 3.28Å; F142-L144 PolarHBondContact O-N 2.67Å; L144-A147 WeakPolarHBondContact O-CB 3.49Å; L144-A147 PolarHBondContact O-N 2.82Å; L144-L148 WeakPolarHBondContact O-CG 3.12Å; L144-L148 PolarHBondContact O-N 2.93Å; L144-L148 VanDerWaalsContact O-N 3.15Å; L144-F182 HydrophobicContact CB-CE1 4.13Å; L144-F182 HydrophobicContact CB-CZ 4.21Å; L144-F182 HydrophobicContact CD2-CB 4.37Å; L144-F182 HydrophobicContact CD2-CD1 3.58Å; L144-F182 HydrophobicContact CD2-CD2 4.1Å; L144-F182 HydrophobicContact CD2-CE1 3.76Å; L144-F182 HydrophobicContact CD2-CE2 4.28Å; L144-F182 HydrophobicContact CD2-CG 3.74Å; L144-F182 HydrophobicContact CD2-CZ 4.11Å; L144-F182 HydrophobicContact CG-CD1 3.87Å; L144-F182 HydrophobicContact CG-CE1 3.67Å; L144-F182 HydrophobicContact CG-CZ 4.19Å; L144-L225 HydrophobicContact CD1-CD2 3.82Å; L144-L225 HydrophobicContact CD2-CD2 4.05Å; L144-L225 HydrophobicContact CG-CD2 4.04Å
145	T	98.6	Very high	94.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-59.3	-49.3	173.9	-59	0	0	0	0	111	Y53 H141 F142 A147 L148 R149 F182 Y229	Y53-T145 HydrophobicContact CD2-CG2 3.93Å; Y53-T145 HydrophobicContact CE2-CG2 4.15Å; H141-T145 VanDerWaalsContact O-CB 3.3Å; H141-T145 WeakPolarHBondContact O-CB 3.36Å; H141-T145 PolarHBondContact O-N 3.15Å; H141-T145 PolarHBondContact O-OG1 2.79Å; F142-T145 WeakPolarHBondContact O-CB 3.44Å; F142-T145 PolarHBondContact O-N 3.15Å; F142-T145 VanDerWaalsContact O-N 3.17Å; T145-A147 VanDerWaalsContact C-N 3.3Å; T145-A147 PolarHBondContact O-N 2.86Å; T145-L148 PolarHBondContact O-N 3.23Å; T145-R149 WeakPolarHBondContact O-CG 3.46Å; T145-R149 PolarHBondContact O-N 3.32Å; T145-F182 WeakPolarHBondContact OG1-CZ 2.94Å; T145-Y229 HydrophobicContact CG2-CE1 4.17Å
146	M	98.5	Very high	92.7	Very high	23 Å²	23	36.5 Å²	36.5	11%	0.113	20%	0.199	C	C	.	.	H	α-helix	trans	-65.3	-33.8	179.4	-67.1	-46.7	-50.5	0	0	112.4	E57 Q102 F142 R149 S150	E57-M146 HydrophobicContact CG-CE 3.9Å; E57-M146 HydrophobicContact CG-SD 4.03Å; Q102-M146 HydrophobicContact CG-CB 4.35Å; F142-M146 HydrophobicContact CD1-CG 4.29Å; F142-M146 HydrophobicContact CD2-CG 4.11Å; F142-M146 HydrophobicContact CE1-CG 3.87Å; F142-M146 HydrophobicContact CE2-CG 3.65Å; F142-M146 HydrophobicContact CE2-SD 4.16Å; F142-M146 HydrophobicContact CG-CG 4.42Å; F142-M146 HydrophobicContact CZ-CG 3.53Å; F142-M146 HydrophobicContact CZ-SD 4.39Å; F142-M146 WeakPolarHBondContact O-CG 3.4Å; F142-M146 PolarHBondContact O-N 3.18Å; M146-R149 HydrophobicContact CE-CB 4.35Å; M146-R149 PolarHBondContact O-N 3.29Å; M146-S150 WeakPolarHBondContact O-CB 3.12Å; M146-S150 PolarHBondContact O-N 2.98Å; M146-S150 PolarHBondContact O-OG 3.14Å
147	A	98.5	Very high	92.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.1	-46.1	172.6	0	0	0	0	0	111.9	L98 Q102 V106 Y143 L144 T145 S150 L151	L98-A147 HydrophobicContact CD1-CB 4.16Å; L98-A147 HydrophobicContact CD2-CB 4.12Å; Q102-A147 HydrophobicContact CB-CB 3.87Å; Q102-A147 HydrophobicContact CG-CB 4.33Å; V106-A147 HydrophobicContact CG2-CB 3.57Å; Y143-A147 WeakPolarHBondContact O-CB 3.45Å; Y143-A147 PolarHBondContact O-N 2.94Å; L144-A147 WeakPolarHBondContact O-CB 3.49Å; L144-A147 PolarHBondContact O-N 2.82Å; T145-A147 VanDerWaalsContact C-N 3.3Å; T145-A147 PolarHBondContact O-N 2.86Å; A147-S150 PolarHBondContact O-N 2.01Å; A147-L151 WeakPolarHBondContact O-CG 3.41Å; A147-L151 PolarHBondContact O-N 3.32Å
148	L	97.9	Very high	92.1	Very high	1 Å²	1	39 Å²	39	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-65	-42.2	178	-58.9	-176	0	0	0	111.7	L144 T145 S150 L151 K152 F182 A210 I212 L225 P227	L144-L148 WeakPolarHBondContact O-CG 3.12Å; L144-L148 PolarHBondContact O-N 2.93Å; L144-L148 VanDerWaalsContact O-N 3.15Å; T145-L148 PolarHBondContact O-N 3.23Å; L148-S150 VanDerWaalsContact C-N 3.34Å; L148-S150 PolarHBondContact O-N 3.29Å; L148-L151 PolarHBondContact O-N 3.49Å; L148-K152 WeakPolarHBondContact O-CB 3.14Å; L148-K152 PolarHBondContact O-N 3.36Å; L148-F182 HydrophobicContact CD1-CD1 3.89Å; L148-F182 HydrophobicContact CD1-CE1 3.76Å; L148-A210 HydrophobicContact CB-CB 4.36Å; L148-A210 HydrophobicContact CD2-CB 3.79Å; L148-I212 HydrophobicContact CD2-CG2 3.78Å; L148-L225 HydrophobicContact CD1-CD2 4.38Å; L148-L225 HydrophobicContact CD1-CG 4.2Å; L148-L225 HydrophobicContact CD2-CB 3.89Å; L148-L225 HydrophobicContact CD2-CD2 4.17Å; L148-L225 HydrophobicContact CD2-CG 4.23Å; L148-P227 HydrophobicContact CD1-CB 3.98Å; L148-P227 HydrophobicContact CD1-CG 4.47Å
149	R	95.9	Very high	91.9	Very high	59 Å²	59	41.3 Å²	41.3	22%	0.223	23%	0.231	C	C	.	.	H	α-helix	trans	-62	-39.7	176.1	-67.9	178.2	71.5	-171.2	-3.5	111.9	M52 Y53 N54 E57 T145 M146 K152 P153	M52-R149 PolarHBondContact O-NH1 2.92Å; Y53-R149 PolarHBondContact O-NH1 2.95Å; N54-R149 PolarHBondContact OD1-NH1 3.49Å; N54-R149 PolarHBondContact OD1-NH2 2.05Å; N54-R149 VanDerWaalsContact OD1-NH2 3.14Å; E57-R149 IonicContact OE1-CZ 2.73Å; E57-R149 VanDerWaalsContact OE1-CZ 3.23Å; E57-R149 IonicContact OE1-NH1 3.23Å; E57-R149 PolarHBondContact OE1-NH1 2.62Å; E57-R149 IonicContact OE1-NH2 2.78Å; E57-R149 PolarHBondContact OE1-NH2 3.31Å; T145-R149 WeakPolarHBondContact O-CG 3.46Å; T145-R149 PolarHBondContact O-N 3.32Å; M146-R149 HydrophobicContact CE-CB 4.35Å; M146-R149 PolarHBondContact O-N 3.29Å; R149-K152 CarbonylContact O-C 3.51Å; R149-K152 VanDerWaalsContact O-C 3.31Å; R149-P153 WeakPolarHBondContact O-CA 3.45Å
150	S	96.4	Very high	91.9	Very high	39 Å²	39	44 Å²	44	27%	0.273	25%	0.248	S	C	.	.	H	α-helix	trans	-67.2	-39.5	176	-66.6	0	0	0	0	113	Q102 M146 A147 L148	Q102-S150 PolarHBondContact OE1-OG 3.05Å; M146-S150 WeakPolarHBondContact O-CB 3.12Å; M146-S150 PolarHBondContact O-N 2.98Å; M146-S150 PolarHBondContact O-OG 3.14Å; A147-S150 PolarHBondContact O-N 2.01Å; L148-S150 VanDerWaalsContact C-N 3.34Å; L148-S150 PolarHBondContact O-N 3.29Å
151	L	95.6	Very high	91.9	Very high	46 Å²	46	44 Å²	44	24%	0.241	25%	0.248	C	C	.	.	H	α-helix	trans	-77.1	-29.6	178.8	-68.9	169.7	0	0	0	112.7	L98 A147 L148 P153 A210 I212 F215	L98-L151 HydrophobicContact CD1-CD1 4.17Å; L98-L151 HydrophobicContact CD1-CD2 4.49Å; L98-L151 HydrophobicContact CD1-CG 4.39Å; L98-L151 HydrophobicContact CD2-CD1 4.43Å; L98-L151 HydrophobicContact CD2-CD2 4.19Å; L98-L151 HydrophobicContact CD2-CG 3.88Å; L98-L151 HydrophobicContact CG-CD2 4.18Å; L98-L151 HydrophobicContact CG-CG 4.28Å; A147-L151 WeakPolarHBondContact O-CG 3.41Å; A147-L151 PolarHBondContact O-N 3.32Å; L148-L151 PolarHBondContact O-N 3.49Å; L151-P153 VanDerWaalsContact C-CD 3.42Å; L151-P153 WeakPolarHBondContact O-CD 3.48Å; L151-A210 HydrophobicContact CB-CB 3.72Å; L151-A210 HydrophobicContact CD1-CB 4.31Å; L151-I212 HydrophobicContact CD1-CG2 3.92Å; L151-F215 HydrophobicContact CD1-CD2 4.48Å; L151-F215 HydrophobicContact CD1-CE2 4.47Å; L151-F215 HydrophobicContact CD2-CE2 3.84Å
152	K	91.9	Very high	91.9	Very high	43 Å²	43	46.2 Å²	46.2	19%	0.187	26%	0.256	C	S	.	.			trans	-125	65.8	-178.8	-160.1	80.7	174.8	86.2	0	111	L148 R149 K154 E157 A210	L148-K152 WeakPolarHBondContact O-CB 3.14Å; L148-K152 PolarHBondContact O-N 3.36Å; R149-K152 CarbonylContact O-C 3.51Å; R149-K152 VanDerWaalsContact O-C 3.31Å; K152-K154 PolarHBondContact NZ-O 2.7Å; K152-K154 PolarHBondContact O-N 2.9Å; K152-E157 WeakPolarHBondContact CE-O 3.34Å; K152-E157 PolarHBondContact NZ-O 2.85Å; K152-A210 HydrophobicContact CB-CB 3.98Å
153	P	82.2	Confident	91.8	Very high	107 Å²	107	48.9 Å²	48.9	70%	0.695	27%	0.266	S	S	*	.			trans	-69.5	-18.3	-175.9	28.4	-35.8	0	0	0	113.2	R149 L151	R149-P153 WeakPolarHBondContact O-CA 3.45Å; L151-P153 VanDerWaalsContact C-CD 3.42Å; L151-P153 WeakPolarHBondContact O-CD 3.48Å
154	K	75.9	Confident	91.7	Very high	162 Å²	162	49.9 Å²	49.9	70%	0.704	27%	0.27	S	S	*	.			trans	-125.1	127.3	176.8	-63.2	-178.8	-177.4	177.6	0	110.2	K152 A156	K152-K154 PolarHBondContact NZ-O 2.7Å; K152-K154 PolarHBondContact O-N 2.9Å; K154-A156 PolarHBondContact O-N 3.14Å
155	A	67.3	Low	91.4	Very high	29 Å²	29	50.5 Å²	50.5	24%	0.24	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-4.4	174.1	0	0	0	0	0	113.7	E157 C207 F208 N258	A155-E157 VanDerWaalsContact C-N 3.3Å; A155-E157 PolarHBondContact O-N 3.46Å; A155-C207 HydrophobicContact CB-CB 4.47Å; A155-F208 HydrophobicContact CB-CZ 4.42Å; A155-N258 WeakPolarHBondContact CB-OD1 3.25Å
156	A	64.9	Low	91.1	Very high	90 Å²	90	56.6 Å²	56.6	74%	0.744	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-25.7	-169.1	0	0	0	0	0	115.2	K154	K154-A156 PolarHBondContact O-N 3.14Å
157	E	85.6	Confident	90.8	Very high	153 Å²	153	55.7 Å²	55.7	72%	0.715	30%	0.296	S	S	*	.	S	Bend	trans	-109.4	97.6	178.3	-69.5	-179.9	-173.5	0	0	110.1	K152 A155	K152-E157 WeakPolarHBondContact CE-O 3.34Å; K152-E157 PolarHBondContact NZ-O 2.85Å; A155-E157 VanDerWaalsContact C-N 3.3Å; A155-E157 PolarHBondContact O-N 3.46Å
158	C	94.6	Very high	90.5	Very high	57 Å²	57	61.6 Å²	61.6	39%	0.385	32%	0.319	S	S	.	.			trans	-79.1	149.7	173.8	-42.5	0	0	0	0	110.3	I205 T206 C207	C158-I205 HydrophobicContact CB-CG2 3.81Å; C158-T206 CarbonylContact C-O 3.55Å; C158-T206 WeakPolarHBondContact CA-O 3.22Å; C158-T206 WeakPolarHBondContact CB-O 3.16Å; C158-C207 HydrophobicContact CB-CB 4Å; C158-C207 WeakPolarHBondContact CB-SG 3.43Å; C158-C207 WeakPolarHBondContact SG-CB 3.19Å; C158-C207 CovalentContact SG-SG 2.03Å; C158-C207 PolarHBondContact SG-SG 3.5Å
159	V	95.4	Very high	90.4	Very high	48 Å²	48	63.1 Å²	63.1	29%	0.291	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	141.9	-177.8	-65	0	0	0	0	111	T161 L187 I205 T206 V224	V159-T161 HydrophobicContact CG2-CG2 3.98Å; V159-L187 HydrophobicContact CB-CD2 4.18Å; V159-L187 HydrophobicContact CG2-CD2 4.34Å; V159-I205 WeakPolarHBondContact O-CA 3.34Å; V159-T206 HydrophobicContact CG2-CG2 3.83Å; V159-T206 PolarHBondContact N-O 3Å; V159-T206 PolarHBondContact O-N 3.18Å; V159-V224 HydrophobicContact CG2-CG1 4.49Å
160	T	97.8	Very high	90.3	Very high	56 Å²	56	66.3 Å²	66.3	34%	0.344	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	126.2	173.2	-53.5	0	0	0	0	110.2	Y162 E203 I204	T160-Y162 HydrophobicContact CG2-CE2 4.31Å; T160-E203 HydrophobicContact CG2-CG 3.95Å; T160-I204 CarbonylContact C-O 3.49Å; T160-I204 WeakPolarHBondContact CA-O 3.29Å
161	T	98.1	Very high	90.3	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	162.9	-176.3	62.5	0	0	0	0	110.8	V159 S185 S186 L187 I204 T206 V224	V159-T161 HydrophobicContact CG2-CG2 3.98Å; T161-S185 VanDerWaalsContact CB-OG 3.27Å; T161-S185 WeakPolarHBondContact CB-OG 3.34Å; T161-S185 PolarHBondContact OG1-OG 3.27Å; T161-S186 CarbonylContact C-O 3.31Å; T161-S186 WeakPolarHBondContact CA-O 3.44Å; T161-L187 HydrophobicContact CG2-CD2 3.94Å; T161-L187 HydrophobicContact CG2-CG 4.48Å; T161-I204 PolarHBondContact N-O 2.89Å; T161-I204 PolarHBondContact O-N 3.43Å; T161-I204 PolarHBondContact OG1-O 2.87Å; T161-T206 HydrophobicContact CG2-CG2 4.01Å; T161-V224 HydrophobicContact CG2-CB 3.7Å; T161-V224 HydrophobicContact CG2-CG1 3.82Å; T161-V224 HydrophobicContact CG2-CG2 3.91Å
162	Y	98.4	Very high	90.4	Very high	47 Å²	47	65.4 Å²	65.4	18%	0.184	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	133.4	-171.8	-58.5	-85.1	0	0	0	111.3	T160 S185 S186 G188 Y190 F202 E203	T160-Y162 HydrophobicContact CG2-CE2 4.31Å; Y162-S185 CarbonylContact O-C 3.57Å; Y162-S185 WeakPolarHBondContact O-CA 3.37Å; Y162-S186 PolarHBondContact N-O 3.33Å; Y162-S186 PolarHBondContact O-N 2.76Å; Y162-G188 VanDerWaalsContact CE2-C 3.45Å; Y162-G188 WeakPolarHBondContact CE2-O 3.47Å; Y162-Y190 HydrophobicContact CD1-CD1 4.37Å; Y162-Y190 HydrophobicContact CD1-CD2 4.01Å; Y162-Y190 HydrophobicContact CD1-CE1 4.02Å; Y162-Y190 AromaticContact CD1-CE2 3.62Å; Y162-Y190 HydrophobicContact CD1-CE2 3.62Å; Y162-Y190 HydrophobicContact CD1-CG 4.35Å; Y162-Y190 AromaticContact CD1-CZ 3.64Å; Y162-Y190 HydrophobicContact CE1-CE2 4.23Å; Y162-Y190 HydrophobicContact CG-CD1 4.45Å; Y162-Y190 HydrophobicContact CG-CD2 4.46Å; Y162-Y190 HydrophobicContact CG-CE1 4.47Å; Y162-Y190 HydrophobicContact CG-CE2 4.47Å; Y162-Y190 HydrophobicContact CG-CG 4.44Å; Y162-F202 WeakPolarHBondContact CA-O 3.44Å; Y162-E203 HydrophobicContact CD1-CB 4.29Å; Y162-E203 HydrophobicContact CD1-CG 4.23Å; Y162-E203 HydrophobicContact CE1-CB 4.22Å; Y162-E203 HydrophobicContact CE1-CG 3.74Å
163	R	97.6	Very high	90.7	Very high	58 Å²	58	67.4 Å²	67.4	22%	0.219	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	137.7	178.1	176.7	176.9	176.4	74.2	1.9	111.1	S184 C201 F202 I204	R163-S184 VanDerWaalsContact CD-O 3.31Å; R163-S184 WeakPolarHBondContact CD-O 3.47Å; R163-S184 WeakPolarHBondContact CG-O 3.47Å; R163-S184 PolarHBondContact NH1-O 3.21Å; R163-C201 CarbonylContact O-C 3.55Å; R163-C201 VanDerWaalsContact O-CA 3.3Å; R163-C201 WeakPolarHBondContact O-CA 3.16Å; R163-F202 HydrophobicContact CB-CB 4.28Å; R163-F202 HydrophobicContact CG-CD2 4.48Å; R163-F202 PolarHBondContact N-O 3.29Å; R163-F202 PolarHBondContact O-N 3.22Å; R163-I204 HydrophobicContact CB-CD1 4.22Å
164	R	95.4	Very high	91.4	Very high	30 Å²	30	67.4 Å²	67.4	11%	0.113	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	151.5	169.3	-70.7	-176.5	177.5	-83.3	-6.5	110.6	Y190 S191 F196 G197 P247 C248	R164-Y190 HydrophobicContact CG-CD1 3.8Å; R164-Y190 HydrophobicContact CG-CG 4.37Å; R164-S191 WeakPolarHBondContact CD-O 3.28Å; R164-S191 PolarHBondContact NE-O 3.29Å; R164-F196 HydrophobicContact CB-CB 3.7Å; R164-G197 WeakPolarHBondContact CD-O 3.31Å; R164-P247 PolarHBondContact NH1-O 3.11Å; R164-C248 PolarHBondContact NH1-SG 3.45Å; R164-C248 VanDerWaalsContact NH1-SG 3.45Å
165	T	93.3	Very high	92.5	Very high	12 Å²	12	67.7 Å²	67.7	7%	0.074	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	154.1	173.4	173.5	0	0	0	0	112	C167 F169 F196 Q199 S200 F202	T165-C167 PolarHBondContact OG1-N 3.36Å; T165-C167 PolarHBondContact OG1-SG 2.95Å; T165-F169 HydrophobicContact CG2-CE2 3.6Å; T165-F169 HydrophobicContact CG2-CZ 4.35Å; T165-F196 CarbonylContact C-O 3.59Å; T165-F196 WeakPolarHBondContact CA-O 3.3Å; T165-F196 PolarHBondContact N-O 3.12Å; T165-Q199 WeakPolarHBondContact O-CB 3.38Å; T165-Q199 PolarHBondContact O-N 2.84Å; T165-S200 WeakPolarHBondContact CG2-O 3.46Å; T165-S200 PolarHBondContact N-O 3.22Å; T165-S200 PolarHBondContact O-N 3.18Å; T165-S200 VanDerWaalsContact O-N 3.1Å; T165-F202 HydrophobicContact CG2-CD2 4.47Å; T165-F202 HydrophobicContact CG2-CE2 3.86Å
166	K	92.8	Very high	94	Very high	128 Å²	128	71 Å²	71	56%	0.557	36%	0.355	S	S	*	.	S	Bend	trans	-78.6	-7.8	171.8	-65	174.1	-175.7	170.8	0	112.3	L195 F196 Q199	K166-L195 VanDerWaalsContact CE-O 3.26Å; K166-L195 WeakPolarHBondContact CE-O 3.44Å; K166-L195 PolarHBondContact NZ-O 3.47Å; K166-L195 VanDerWaalsContact NZ-O 3.16Å; K166-F196 PolarHBondContact N-O 3.24Å; K166-Q199 WeakPolarHBondContact O-CB 3.47Å
167	C	91.4	Very high	95.6	Very high	4 Å²	4	66.7 Å²	66.7	3%	0.027	32%	0.32	C	S	.	.			trans	-92.2	154.1	-178.8	-45.9	0	0	0	0	111.5	G25 C26 F40 T165 F169 Q199 S200	G25-C167 VanDerWaalsContact C-SG 3.54Å; G25-C167 PolarHBondContact O-SG 2.96Å; C26-C167 WeakPolarHBondContact CA-SG 3.28Å; C26-C167 HydrophobicContact CB-CB 4.15Å; C26-C167 WeakPolarHBondContact CB-SG 3.39Å; C26-C167 WeakPolarHBondContact SG-CA 3.4Å; C26-C167 WeakPolarHBondContact SG-CB 3.47Å; C26-C167 CovalentContact SG-SG 2.05Å; C26-C167 PolarHBondContact SG-SG 3.42Å; F40-C167 HydrophobicContact CD2-CB 3.91Å; F40-C167 HydrophobicContact CE2-CB 4.05Å; T165-C167 PolarHBondContact OG1-N 3.36Å; T165-C167 PolarHBondContact OG1-SG 2.95Å; C167-F169 HydrophobicContact CB-CE2 3.73Å; C167-F169 HydrophobicContact CB-CZ 3.86Å; C167-Q199 WeakPolarHBondContact O-CG 3.27Å; C167-S200 WeakPolarHBondContact O-CB 3.42Å; C167-S200 PolarHBondContact O-OG 2.96Å
168	R	93.3	Very high	96.1	Very high	125 Å²	125	59.6 Å²	59.6	47%	0.472	29%	0.287	S	S	.	.			trans	-107.1	143.7	172.6	-172.7	174.9	-178.8	147.9	-1.1	109.2	S39 F40 Q199	S39-R168 WeakPolarHBondContact CA-O 3.34Å; F40-R168 WeakPolarHBondContact CD2-O 3.22Å; F40-R168 PolarHBondContact N-O 2.99Å; R168-Q199 HydrophobicContact CB-CG 3.88Å
169	F	94.5	Very high	96.3	Very high	32 Å²	32	57.9 Å²	57.9	14%	0.14	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	150.9	-177.3	-62.1	-94.9	0	0	0	113	F40 L42 T165 C167 F202 Y252	F40-F169 HydrophobicContact CB-CD1 3.99Å; F40-F169 HydrophobicContact CB-CE1 4.12Å; F40-F169 CarbonylContact O-C 3.45Å; F40-F169 WeakPolarHBondContact O-CA 3.18Å; L42-F169 HydrophobicContact CB-CB 4.19Å; L42-F169 HydrophobicContact CB-CD1 4.14Å; L42-F169 HydrophobicContact CD1-CD1 4.45Å; T165-F169 HydrophobicContact CG2-CE2 3.6Å; T165-F169 HydrophobicContact CG2-CZ 4.35Å; C167-F169 HydrophobicContact CB-CE2 3.73Å; C167-F169 HydrophobicContact CB-CZ 3.86Å; F169-F202 HydrophobicContact CD2-CE2 4.08Å; F169-F202 AromaticContact CD2-CZ 3.67Å; F169-F202 HydrophobicContact CD2-CZ 3.67Å; F169-F202 AromaticContact CE2-CE2 3.96Å; F169-F202 HydrophobicContact CE2-CE2 3.96Å; F169-F202 AromaticContact CE2-CZ 3.93Å; F169-F202 HydrophobicContact CE2-CZ 3.93Å; F169-F202 HydrophobicContact CG-CZ 4.11Å; F169-Y252 HydrophobicContact CB-CE2 4.47Å; F169-Y252 PolarHBondContact O-OH 3.49Å
170	E	94.6	Very high	96.2	Very high	127 Å²	127	55.7 Å²	55.7	59%	0.593	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.6	117.9	173.4	-88.5	166.9	-152.4	0	0	110.1	S39 F40 L42	S39-E170 WeakPolarHBondContact CB-OE1 3.2Å; S39-E170 WeakPolarHBondContact OG-CG 3.19Å; S39-E170 PolarHBondContact OG-OE1 2.93Å; F40-E170 PolarHBondContact O-N 2.65Å; L42-E170 PolarHBondContact N-O 3.47Å
171	T	96.2	Very high	96.2	Very high	40 Å²	40	53 Å²	53	25%	0.245	24%	0.243	C	C	.	.			trans	-161	-179.8	171.9	-165.7	0	0	0	0	109.3	L42 V234 I237 Y252	L42-T171 HydrophobicContact CB-CG2 4.42Å; L42-T171 HydrophobicContact CD2-CG2 4.18Å; L42-T171 PolarHBondContact O-OG1 3.3Å; T171-V234 HydrophobicContact CG2-CG1 4.4Å; T171-V234 HydrophobicContact CG2-CG2 3.96Å; T171-I237 HydrophobicContact CG2-CD1 4.05Å; T171-Y252 HydrophobicContact CG2-CD1 3.99Å; T171-Y252 HydrophobicContact CG2-CE1 3.92Å
172	G	96.9	Very high	96.2	Very high	25 Å²	25	53 Å²	53	26%	0.258	24%	0.243	S	C	.	.			trans	-131.8	156.6	177.8	0	0	0	0	0	112.3	R175 V234	G172-R175 VanDerWaalsContact O-CB 3.27Å; G172-R175 WeakPolarHBondContact O-CB 3.34Å; G172-R175 VanDerWaalsContact O-CG 3.28Å; G172-R175 WeakPolarHBondContact O-CG 3.3Å; G172-R175 PolarHBondContact O-N 2.73Å; G172-V234 WeakPolarHBondContact O-CB 3.35Å
173	I	98	Very high	96.2	Very high	85 Å²	85	50.8 Å²	50.8	44%	0.436	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	143.9	171.6	-61.3	172.4	0	0	0	109.1	R175 I237	I173-R175 PolarHBondContact O-N 2.85Å; I173-I237 HydrophobicContact CG1-CB 4.41Å; I173-I237 HydrophobicContact CG1-CD1 4.21Å; I173-I237 HydrophobicContact CG1-CG1 3.96Å
174	N	97.9	Very high	96.2	Very high	108 Å²	108	49.4 Å²	49.4	58%	0.578	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.7	7.5	-174.5	-59.8	-55.7	0	0	0	116	K233 V234	N174-K233 WeakPolarHBondContact OD1-CE 3.43Å; N174-K233 PolarHBondContact OD1-NZ 3.02Å; N174-V234 PolarHBondContact N-O 3.17Å
175	R	98.3	Very high	96.3	Very high	168 Å²	168	48.3 Å²	48.3	63%	0.634	23%	0.231	S	C	*	.			trans	-78.8	145.3	169.5	-64.4	-64.2	-175.4	168	-0.3	110.8	G172 I173 V177 K233 V234	G172-R175 VanDerWaalsContact O-CB 3.27Å; G172-R175 WeakPolarHBondContact O-CB 3.34Å; G172-R175 VanDerWaalsContact O-CG 3.28Å; G172-R175 WeakPolarHBondContact O-CG 3.3Å; G172-R175 PolarHBondContact O-N 2.73Å; I173-R175 PolarHBondContact O-N 2.85Å; R175-V177 HydrophobicContact CB-CG1 4.41Å; R175-K233 WeakPolarHBondContact O-CA 3.08Å; R175-V234 PolarHBondContact O-N 2.9Å
176	E	98.5	Very high	96.5	Very high	97 Å²	97	48.2 Å²	48.2	45%	0.453	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	136.5	165.5	-69.3	-175.3	173.5	0	0	109.6	L44 V231 F232 T257	L44-E176 HydrophobicContact CD2-CB 4.09Å; E176-V231 HydrophobicContact CB-CG1 4.02Å; E176-V231 HydrophobicContact CG-CG1 4.31Å; E176-F232 CarbonylContact C-O 3.51Å; E176-F232 VanDerWaalsContact CA-O 3.24Å; E176-F232 WeakPolarHBondContact CA-O 3.39Å; E176-T257 HydrophobicContact CG-CG2 4.47Å
177	V	98.4	Very high	96.6	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	157.6	-174	-56.7	0	0	0	0	111.3	L42 D43 R175 F232 V234 L254	L42-V177 HydrophobicContact CD1-CB 4.44Å; L42-V177 HydrophobicContact CD2-CB 4.44Å; L42-V177 HydrophobicContact CD2-CG2 4.12Å; L42-V177 HydrophobicContact CG-CB 3.86Å; L42-V177 HydrophobicContact CG-CG1 4Å; L42-V177 HydrophobicContact CG-CG2 4.06Å; L42-V177 WeakPolarHBondContact O-CG1 3.38Å; D43-V177 CarbonylContact O-C 3.13Å; D43-V177 WeakPolarHBondContact O-CA 3.49Å; R175-V177 HydrophobicContact CB-CG1 4.41Å; V177-F232 HydrophobicContact CG2-CB 4.12Å; V177-F232 PolarHBondContact N-O 2.86Å; V177-F232 PolarHBondContact O-N 3.14Å; V177-V234 HydrophobicContact CG1-CG2 3.85Å; V177-V234 HydrophobicContact CG2-CG2 4Å; V177-L254 HydrophobicContact CG2-CD2 4.18Å
178	R	97.7	Very high	96.5	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.015	24%	0.243	C	C	.	.			trans	-133.2	153.6	171.1	-70.5	-178	43.5	-155	-10.7	109.3	D43 L44 A45 S48 D50 P228 E230 V231 H261	D43-R178 PolarHBondContact O-N 2.77Å; L44-R178 HydrophobicContact CD2-CG 4.4Å; L44-R178 WeakPolarHBondContact O-CD 3.13Å; A45-R178 HydrophobicContact CB-CB 4Å; S48-R178 PolarHBondContact OG-NH2 3.31Å; D50-R178 IonicContact OD2-CZ 3.87Å; D50-R178 VanDerWaalsContact OD2-CZ 3.23Å; D50-R178 IonicContact OD2-NH1 2.72Å; D50-R178 PolarHBondContact OD2-NH1 3.02Å; D50-R178 IonicContact OD2-NH2 2.57Å; D50-R178 PolarHBondContact OD2-NH2 3.15Å; R178-P228 VanDerWaalsContact CZ-O 3.29Å; R178-P228 PolarHBondContact NE-O 3.39Å; R178-P228 PolarHBondContact NH2-O 3.07Å; R178-E230 WeakPolarHBondContact CG-O 3.35Å; R178-V231 HydrophobicContact CG-CB 4.48Å; R178-V231 HydrophobicContact CG-CG2 3.93Å; R178-H261 PolarHBondContact NH1-CD2 3.41Å; R178-H261 PolarHBondContact NH1-O 3.18Å
179	F	97.1	Very high	96.5	Very high	21 Å²	21	44.6 Å²	44.6	9%	0.092	25%	0.246	C	C	.	.			trans	-81	-18.2	173.9	-68.2	-69.4	0	0	0	113.7	L42 R125 G181 T183 F202 I204 I226 F232 L254	L42-F179 HydrophobicContact CD1-CD1 4.28Å; R125-F179 PolarHBondContact NE-O 3.29Å; F179-G181 PolarHBondContact O-N 3.35Å; F179-G181 VanDerWaalsContact O-N 3.12Å; F179-T183 HydrophobicContact CB-CG2 4.4Å; F179-T183 WeakPolarHBondContact CB-OG1 3.38Å; F179-T183 HydrophobicContact CD1-CG2 4.07Å; F179-T183 HydrophobicContact CD2-CG2 3.82Å; F179-T183 HydrophobicContact CE1-CG2 4.26Å; F179-T183 HydrophobicContact CE2-CG2 4.02Å; F179-T183 HydrophobicContact CG-CG2 3.84Å; F179-T183 WeakPolarHBondContact CG-OG1 3.37Å; F179-T183 HydrophobicContact CZ-CG2 4.22Å; F179-F202 HydrophobicContact CE1-CD1 4.32Å; F179-F202 HydrophobicContact CE1-CE1 4.26Å; F179-F202 HydrophobicContact CE1-CZ 4.45Å; F179-F202 HydrophobicContact CZ-CD1 4.35Å; F179-I204 HydrophobicContact CE2-CD1 3.94Å; F179-I204 HydrophobicContact CZ-CD1 3.66Å; F179-I204 HydrophobicContact CZ-CG1 4.43Å; F179-I226 HydrophobicContact CE2-CD1 4.48Å; F179-F232 HydrophobicContact CD2-CD2 4.39Å; F179-F232 AromaticContact CD2-CE2 3.91Å; F179-F232 HydrophobicContact CD2-CE2 3.91Å; F179-F232 HydrophobicContact CE2-CD2 4.22Å; F179-F232 AromaticContact CE2-CE2 3.85Å; F179-F232 HydrophobicContact CE2-CE2 3.85Å; F179-F232 HydrophobicContact CE2-CZ 4.34Å; F179-L254 HydrophobicContact CE1-CD1 4.27Å; F179-L254 HydrophobicContact CE2-CD1 4.13Å; F179-L254 HydrophobicContact CZ-CD1 3.54Å
180	G	94.1	Very high	96.4	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.01	25%	0.248	C	C	.	.	S	Bend	trans	67.3	7.9	178.1	0	0	0	0	0	115.6	S48 R125	S48-G180 VanDerWaalsContact OG-C 3.24Å; S48-G180 WeakPolarHBondContact OG-CA 3.49Å; S48-G180 PolarHBondContact OG-O 2.72Å; R125-G180 VanDerWaalsContact CA-O 3.22Å; R125-G180 WeakPolarHBondContact CA-O 3.14Å; R125-G180 WeakPolarHBondContact CG-O 3.37Å; R125-G180 PolarHBondContact N-O 2.94Å
181	G	97.1	Very high	96.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.231	C	C	.	.	S	Bend	trans	-160.4	167.3	179.3	0	0	0	0	0	109.6	F179 T183	F179-G181 PolarHBondContact O-N 3.35Å; F179-G181 VanDerWaalsContact O-N 3.12Å; G181-T183 PolarHBondContact O-N 2.89Å; G181-T183 PolarHBondContact O-OG1 3.04Å
182	F	98.6	Very high	95.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.24	C	C	.	.			trans	-61.3	127.4	173.3	-70.1	-97.7	0	0	0	108.9	Y109 F120 N121 H141 L144 T145 L148 L225 I226 P228	Y109-F182 HydrophobicContact CE2-CB 3.86Å; Y109-F182 PolarHBondContact OH-O 3.22Å; F120-F182 HydrophobicContact CE1-CB 4.41Å; F120-F182 AromaticContact CE1-CD2 3.4Å; F120-F182 HydrophobicContact CE1-CD2 3.4Å; F120-F182 VanDerWaalsContact CE1-CD2 3.4Å; F120-F182 AromaticContact CE1-CE2 3.88Å; F120-F182 HydrophobicContact CE1-CE2 3.88Å; F120-F182 HydrophobicContact CE1-CG 4.07Å; F120-F182 AromaticContact CZ-CD2 3.64Å; F120-F182 HydrophobicContact CZ-CD2 3.64Å; F120-F182 AromaticContact CZ-CE2 3.62Å; F120-F182 HydrophobicContact CZ-CE2 3.62Å; N121-F182 PolarHBondContact ND2-O 2.89Å; N121-F182 VanDerWaalsContact ND2-O 3.13Å; N121-F182 WeakPolarHBondContact OD1-CB 3.26Å; N121-F182 PolarHBondContact OD1-N 2.9Å; N121-F182 VanDerWaalsContact OD1-N 3.1Å; N121-F182 PolarHBondContact OD1-O 3.07Å; H141-F182 AromaticContact CD2-CE2 3.57Å; H141-F182 AromaticContact NE2-CE2 3.68Å; L144-F182 HydrophobicContact CB-CE1 4.13Å; L144-F182 HydrophobicContact CB-CZ 4.21Å; L144-F182 HydrophobicContact CD2-CB 4.37Å; L144-F182 HydrophobicContact CD2-CD1 3.58Å; L144-F182 HydrophobicContact CD2-CD2 4.1Å; L144-F182 HydrophobicContact CD2-CE1 3.76Å; L144-F182 HydrophobicContact CD2-CE2 4.28Å; L144-F182 HydrophobicContact CD2-CG 3.74Å; L144-F182 HydrophobicContact CD2-CZ 4.11Å; L144-F182 HydrophobicContact CG-CD1 3.87Å; L144-F182 HydrophobicContact CG-CE1 3.67Å; L144-F182 HydrophobicContact CG-CZ 4.19Å; T145-F182 WeakPolarHBondContact OG1-CZ 2.94Å; L148-F182 HydrophobicContact CD1-CD1 3.89Å; L148-F182 HydrophobicContact CD1-CE1 3.76Å; F182-L225 HydrophobicContact CB-CD1 4.01Å; F182-L225 HydrophobicContact CB-CD2 4.5Å; F182-L225 HydrophobicContact CB-CG 4.43Å; F182-L225 HydrophobicContact CD1-CD2 4Å; F182-L225 HydrophobicContact CD1-CG 4.21Å; F182-I226 WeakPolarHBondContact CA-O 2.94Å; F182-P228 HydrophobicContact CD2-CG 4.44Å; F182-P228 HydrophobicContact CE2-CG 4.07Å; F182-P228 HydrophobicContact CZ-CG 4.38Å
183	T	98.1	Very high	95.3	Very high	1 Å²	1	44 Å²	44	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	108.3	-167.7	-64.4	0	0	0	0	110.3	F179 G181 I226	F179-T183 HydrophobicContact CB-CG2 4.4Å; F179-T183 WeakPolarHBondContact CB-OG1 3.38Å; F179-T183 HydrophobicContact CD1-CG2 4.07Å; F179-T183 HydrophobicContact CD2-CG2 3.82Å; F179-T183 HydrophobicContact CE1-CG2 4.26Å; F179-T183 HydrophobicContact CE2-CG2 4.02Å; F179-T183 HydrophobicContact CG-CG2 3.84Å; F179-T183 WeakPolarHBondContact CG-OG1 3.37Å; F179-T183 HydrophobicContact CZ-CG2 4.22Å; G181-T183 PolarHBondContact O-N 2.89Å; G181-T183 PolarHBondContact O-OG1 3.04Å; T183-I226 PolarHBondContact N-O 3.22Å; T183-I226 WeakPolarHBondContact O-CB 3.47Å; T183-I226 PolarHBondContact O-N 2.9Å
184	S	97.8	Very high	94.8	Very high	28 Å²	28	43 Å²	43	20%	0.196	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	132.9	176.1	-54.5	0	0	0	0	111.2	Y109 R163 E223	Y109-S184 WeakPolarHBondContact CE1-OG 3.41Å; Y109-S184 PolarHBondContact OH-OG 2.87Å; R163-S184 VanDerWaalsContact CD-O 3.31Å; R163-S184 WeakPolarHBondContact CD-O 3.47Å; R163-S184 WeakPolarHBondContact CG-O 3.47Å; R163-S184 PolarHBondContact NH1-O 3.21Å; S184-E223 WeakPolarHBondContact CB-OE1 3.24Å; S184-E223 PolarHBondContact OG-OE1 3.18Å
185	S	97.9	Very high	94.1	Very high	7 Å²	7	43.3 Å²	43.3	5%	0.049	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	168.3	173.2	65	0	0	0	0	108.8	T161 Y162 E223 V224	T161-S185 VanDerWaalsContact CB-OG 3.27Å; T161-S185 WeakPolarHBondContact CB-OG 3.34Å; T161-S185 PolarHBondContact OG1-OG 3.27Å; Y162-S185 CarbonylContact O-C 3.57Å; Y162-S185 WeakPolarHBondContact O-CA 3.37Å; S185-E223 CarbonylContact O-C 3.52Å; S185-E223 VanDerWaalsContact O-CA 3.3Å; S185-E223 WeakPolarHBondContact O-CA 3.02Å; S185-V224 PolarHBondContact N-O 2.79Å; S185-V224 PolarHBondContact O-N 2.93Å; S185-V224 PolarHBondContact OG-O 2.93Å
186	S	96.7	Very high	93.5	Very high	11 Å²	11	38.3 Å²	38.3	8%	0.077	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	139.5	-178.6	-175	0	0	0	0	111.2	T161 Y162 E221 K222	T161-S186 CarbonylContact C-O 3.31Å; T161-S186 WeakPolarHBondContact CA-O 3.44Å; Y162-S186 PolarHBondContact N-O 3.33Å; Y162-S186 PolarHBondContact O-N 2.76Å; S186-E221 WeakPolarHBondContact CB-O 3.3Å; S186-E221 PolarHBondContact OG-O 2.94Å; S186-K222 WeakPolarHBondContact CA-O 3.5Å
187	L	95.1	Very high	93.2	Very high	44 Å²	44	34 Å²	34	23%	0.23	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	135.6	172.2	-74.9	164.3	0	0	0	111.7	V159 T161 S189 D211 K222 V224	V159-L187 HydrophobicContact CB-CD2 4.18Å; V159-L187 HydrophobicContact CG2-CD2 4.34Å; T161-L187 HydrophobicContact CG2-CD2 3.94Å; T161-L187 HydrophobicContact CG2-CG 4.48Å; L187-S189 VanDerWaalsContact C-N 3.33Å; L187-S189 PolarHBondContact O-N 3.39Å; L187-D211 HydrophobicContact CD1-CB 4.26Å; L187-K222 HydrophobicContact CB-CB 4.11Å; L187-K222 PolarHBondContact N-O 3.44Å; L187-V224 HydrophobicContact CD1-CG2 3.62Å; L187-V224 HydrophobicContact CD2-CG2 3.87Å; L187-V224 HydrophobicContact CG-CG2 3.44Å; L187-V224 VanDerWaalsContact CG-CG2 3.44Å
188	G	90.6	Very high	93	Very high	60 Å²	60	37.7 Å²	37.7	62%	0.619	25%	0.245	S	C	*	.	S	Bend	trans	88	-41.5	168.8	0	0	0	0	0	115.2	Y162	Y162-G188 VanDerWaalsContact CE2-C 3.45Å; Y162-G188 WeakPolarHBondContact CE2-O 3.47Å
189	S	92.7	Very high	92.9	Very high	76 Å²	76	40 Å²	40	53%	0.531	26%	0.256	S	S	.	.	S	Bend	trans	-156	165.1	177.5	66.3	0	0	0	0	114.1	L187	L187-S189 VanDerWaalsContact C-N 3.33Å; L187-S189 PolarHBondContact O-N 3.39Å
190	Y	92.4	Very high	92.8	Very high	48 Å²	48	39 Å²	39	19%	0.188	25%	0.252	C	S	.	.			trans	-65.7	136.1	173.1	-69.2	-77.6	0	0	0	112.1	Y162 R164 C201 F202 P247	Y162-Y190 HydrophobicContact CD1-CD1 4.37Å; Y162-Y190 HydrophobicContact CD1-CD2 4.01Å; Y162-Y190 HydrophobicContact CD1-CE1 4.02Å; Y162-Y190 AromaticContact CD1-CE2 3.62Å; Y162-Y190 HydrophobicContact CD1-CE2 3.62Å; Y162-Y190 HydrophobicContact CD1-CG 4.35Å; Y162-Y190 AromaticContact CD1-CZ 3.64Å; Y162-Y190 HydrophobicContact CE1-CE2 4.23Å; Y162-Y190 HydrophobicContact CG-CD1 4.45Å; Y162-Y190 HydrophobicContact CG-CD2 4.46Å; Y162-Y190 HydrophobicContact CG-CE1 4.47Å; Y162-Y190 HydrophobicContact CG-CE2 4.47Å; Y162-Y190 HydrophobicContact CG-CG 4.44Å; R164-Y190 HydrophobicContact CG-CD1 3.8Å; R164-Y190 HydrophobicContact CG-CG 4.37Å; Y190-C201 HydrophobicContact CD1-CB 4.27Å; Y190-C201 HydrophobicContact CE1-CB 3.48Å; Y190-C201 VanDerWaalsContact CE1-CB 3.48Å; Y190-F202 WeakPolarHBondContact CE1-O 3.2Å; Y190-P247 HydrophobicContact CD2-CB 4.18Å; Y190-P247 HydrophobicContact CD2-CG 4.21Å; Y190-P247 HydrophobicContact CE2-CB 4.19Å; Y190-P247 HydrophobicContact CE2-CG 3.72Å
191	S	88.9	Confident	93	Very high	31 Å²	31	39 Å²	39	22%	0.217	25%	0.251	C	S	.	.			trans	-62.5	174.7	171.8	-44.4	0	0	0	0	113.2	R164 F196	R164-S191 WeakPolarHBondContact CD-O 3.28Å; R164-S191 PolarHBondContact NE-O 3.29Å; S191-F196 VanDerWaalsContact CB-CD2 3.46Å
192	S	88	Confident	93.1	Very high	63 Å²	63	39 Å²	39	44%	0.441	25%	0.252	S	S	.	.			trans	-61.5	127.5	-176.6	177	0	0	0	0	113.1	G194 L195 F196	S192-G194 PolarHBondContact O-N 2.85Å; S192-G194 PolarHBondContact OG-N 2.96Å; S192-L195 PolarHBondContact O-N 3.3Å; S192-F196 WeakPolarHBondContact O-CD2 3.16Å; S192-F196 PolarHBondContact O-N 3.36Å; S192-F196 VanDerWaalsContact O-N 3.14Å
193	P	87.9	Confident	93.1	Very high	69 Å²	69	42 Å²	42	45%	0.448	27%	0.265	S	S	.	.	H	α-helix	trans	-65.3	-24.9	176	27.2	-34.4	0	0	0	113	L195 G197	P193-L195 VanDerWaalsContact C-N 3.29Å; P193-L195 PolarHBondContact O-N 3.3Å; P193-G197 WeakPolarHBondContact O-CA 3.05Å; P193-G197 PolarHBondContact O-N 3.42Å
194	G	86.6	Confident	93.1	Very high	64 Å²	64	42 Å²	42	66%	0.66	27%	0.265	S	S	*	.	H	α-helix	trans	-66.1	-31.3	178	0	0	0	0	0	113.2	S192	S192-G194 PolarHBondContact O-N 2.85Å; S192-G194 PolarHBondContact OG-N 2.96Å
195	L	83.4	Confident	93.1	Very high	115 Å²	115	43.4 Å²	43.4	60%	0.602	27%	0.27	S	S	*	.	H	α-helix	trans	-89.2	-51.4	178.8	-63.5	173.8	0	0	0	110.9	K166 S192 P193	K166-L195 VanDerWaalsContact CE-O 3.26Å; K166-L195 WeakPolarHBondContact CE-O 3.44Å; K166-L195 PolarHBondContact NZ-O 3.47Å; K166-L195 VanDerWaalsContact NZ-O 3.16Å; S192-L195 PolarHBondContact O-N 3.3Å; P193-L195 VanDerWaalsContact C-N 3.29Å; P193-L195 PolarHBondContact O-N 3.3Å
196	F	87.1	Confident	93.1	Very high	64 Å²	64	43 Å²	43	28%	0.281	27%	0.268	S	S	.	.	H	α-helix	trans	-99.8	-5.7	-167.9	-60	-77.2	0	0	0	114.6	R164 T165 K166 S191 S192	R164-F196 HydrophobicContact CB-CB 3.7Å; T165-F196 CarbonylContact C-O 3.59Å; T165-F196 WeakPolarHBondContact CA-O 3.3Å; T165-F196 PolarHBondContact N-O 3.12Å; K166-F196 PolarHBondContact N-O 3.24Å; S191-F196 VanDerWaalsContact CB-CD2 3.46Å; S192-F196 WeakPolarHBondContact O-CD2 3.16Å; S192-F196 PolarHBondContact O-N 3.36Å; S192-F196 VanDerWaalsContact O-N 3.14Å
197	G	91.6	Very high	93.1	Very high	7 Å²	7	42.7 Å²	42.7	7%	0.072	27%	0.265	C	S	.	.			trans	82.6	179.8	-179.5	0	0	0	0	0	114.5	R164 P193	R164-G197 WeakPolarHBondContact CD-O 3.31Å; P193-G197 WeakPolarHBondContact O-CA 3.05Å; P193-G197 PolarHBondContact O-N 3.42Å
198	N	93.6	Very high	93.2	Very high	78 Å²	78	42.2 Å²	42.2	42%	0.417	26%	0.261	S	S	.	.	S	Bend	trans	-135.1	18.6	-177.3	63.8	-15	0	0	0	112.7	C248 E249	N198-C248 CarbonylContact O-C 3.5Å; N198-C248 WeakPolarHBondContact O-CA 3.41Å; N198-C248 WeakPolarHBondContact O-CB 3.34Å; N198-E249 PolarHBondContact O-N 3.14Å
199	Q	95.1	Very high	93.6	Very high	53 Å²	53	39.4 Å²	39.4	25%	0.248	23%	0.233	C	C	.	.	S	Bend	trans	-77.4	-45.1	-177.6	-176.6	58.9	60.1	0	0	111.8	T165 K166 C167 R168 V250	T165-Q199 WeakPolarHBondContact O-CB 3.38Å; T165-Q199 PolarHBondContact O-N 2.84Å; K166-Q199 WeakPolarHBondContact O-CB 3.47Å; C167-Q199 WeakPolarHBondContact O-CG 3.27Å; R168-Q199 HydrophobicContact CB-CG 3.88Å; Q199-V250 PolarHBondContact O-N 2.84Å
200	S	96.5	Very high	93.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	137.9	174	-67.6	0	0	0	0	110.9	T165 C167 C248 V250	T165-S200 WeakPolarHBondContact CG2-O 3.46Å; T165-S200 PolarHBondContact N-O 3.22Å; T165-S200 PolarHBondContact O-N 3.18Å; T165-S200 VanDerWaalsContact O-N 3.1Å; C167-S200 WeakPolarHBondContact O-CB 3.42Å; C167-S200 PolarHBondContact O-OG 2.96Å; S200-C248 PolarHBondContact O-SG 3.33Å; S200-V250 WeakPolarHBondContact CA-O 3.39Å
201	C	97.7	Very high	94	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	142.2	176.1	-81.3	0	0	0	0	108.2	R163 Y190 P247 C248 V250 V251 Y252	R163-C201 CarbonylContact O-C 3.55Å; R163-C201 VanDerWaalsContact O-CA 3.3Å; R163-C201 WeakPolarHBondContact O-CA 3.16Å; Y190-C201 HydrophobicContact CD1-CB 4.27Å; Y190-C201 HydrophobicContact CE1-CB 3.48Å; Y190-C201 VanDerWaalsContact CE1-CB 3.48Å; C201-P247 HydrophobicContact CB-CG 4.42Å; C201-C248 VanDerWaalsContact CA-SG 3.53Å; C201-C248 HydrophobicContact CB-CB 3.52Å; C201-C248 WeakPolarHBondContact CB-SG 3.3Å; C201-C248 PolarHBondContact N-SG 3.38Å; C201-C248 WeakPolarHBondContact SG-CB 3.31Å; C201-C248 CovalentContact SG-SG 2.03Å; C201-C248 PolarHBondContact SG-SG 3.23Å; C201-V250 PolarHBondContact N-O 3.22Å; C201-V251 HydrophobicContact CB-CG1 4.38Å; C201-V251 HydrophobicContact CB-CG2 4.06Å; C201-V251 CarbonylContact O-C 3.39Å; C201-V251 WeakPolarHBondContact O-CA 3.44Å; C201-Y252 PolarHBondContact O-N 3.02Å
202	F	98.4	Very high	94.4	Very high	1 Å²	1	36 Å²	36	0%	0.004	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	128.9	172.6	-60.7	-95	0	0	0	109.1	L42 Y162 R163 T165 F169 F179 Y190 I204 Y252 L254	L42-F202 HydrophobicContact CD2-CE1 3.76Å; L42-F202 HydrophobicContact CD2-CZ 4.33Å; Y162-F202 WeakPolarHBondContact CA-O 3.44Å; R163-F202 HydrophobicContact CB-CB 4.28Å; R163-F202 HydrophobicContact CG-CD2 4.48Å; R163-F202 PolarHBondContact N-O 3.29Å; R163-F202 PolarHBondContact O-N 3.22Å; T165-F202 HydrophobicContact CG2-CD2 4.47Å; T165-F202 HydrophobicContact CG2-CE2 3.86Å; F169-F202 HydrophobicContact CD2-CE2 4.08Å; F169-F202 AromaticContact CD2-CZ 3.67Å; F169-F202 HydrophobicContact CD2-CZ 3.67Å; F169-F202 AromaticContact CE2-CE2 3.96Å; F169-F202 HydrophobicContact CE2-CE2 3.96Å; F169-F202 AromaticContact CE2-CZ 3.93Å; F169-F202 HydrophobicContact CE2-CZ 3.93Å; F169-F202 HydrophobicContact CG-CZ 4.11Å; F179-F202 HydrophobicContact CE1-CD1 4.32Å; F179-F202 HydrophobicContact CE1-CE1 4.26Å; F179-F202 HydrophobicContact CE1-CZ 4.45Å; F179-F202 HydrophobicContact CZ-CD1 4.35Å; Y190-F202 WeakPolarHBondContact CE1-O 3.2Å; F202-I204 HydrophobicContact CB-CD1 3.76Å; F202-I204 HydrophobicContact CB-CG1 3.6Å; F202-Y252 WeakPolarHBondContact CA-O 3.09Å; F202-Y252 HydrophobicContact CD1-CD2 4.03Å; F202-Y252 HydrophobicContact CD1-CG 4.1Å; F202-Y252 AromaticContact CE1-CD2 3.62Å; F202-Y252 HydrophobicContact CE1-CD2 3.62Å; F202-Y252 HydrophobicContact CE1-CE2 4.38Å; F202-Y252 AromaticContact CE1-CG 3.78Å; F202-Y252 HydrophobicContact CE1-CG 3.78Å; F202-Y252 HydrophobicContact CE2-CD2 4.46Å; F202-Y252 AromaticContact CZ-CD2 3.87Å; F202-Y252 HydrophobicContact CZ-CD2 3.87Å; F202-Y252 HydrophobicContact CZ-CE2 4.26Å; F202-Y252 HydrophobicContact CZ-CG 4.45Å; F202-L254 HydrophobicContact CD1-CD1 3.71Å; F202-L254 HydrophobicContact CD1-CG 4.12Å; F202-L254 HydrophobicContact CE1-CD1 4.24Å
203	E	98.6	Very high	94.8	Very high	62 Å²	62	33.7 Å²	33.7	29%	0.29	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	119.7	159.1	-178.9	176.8	170.7	0	0	106.8	T160 Y162 Y252 N253 L254	T160-E203 HydrophobicContact CG2-CG 3.95Å; Y162-E203 HydrophobicContact CD1-CB 4.29Å; Y162-E203 HydrophobicContact CD1-CG 4.23Å; Y162-E203 HydrophobicContact CE1-CB 4.22Å; Y162-E203 HydrophobicContact CE1-CG 3.74Å; E203-Y252 PolarHBondContact N-O 3.35Å; E203-N253 WeakPolarHBondContact O-CA 3.48Å; E203-N253 PolarHBondContact OE2-ND2 2.68Å; E203-L254 PolarHBondContact O-N 3.09Å
204	I	98.8	Very high	95.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	118.5	-166	-50	167.6	0	0	0	108.6	T160 T161 R163 F179 F202 I226 F232 L254	T160-I204 CarbonylContact C-O 3.49Å; T160-I204 WeakPolarHBondContact CA-O 3.29Å; T161-I204 PolarHBondContact N-O 2.89Å; T161-I204 PolarHBondContact O-N 3.43Å; T161-I204 PolarHBondContact OG1-O 2.87Å; R163-I204 HydrophobicContact CB-CD1 4.22Å; F179-I204 HydrophobicContact CE2-CD1 3.94Å; F179-I204 HydrophobicContact CZ-CD1 3.66Å; F179-I204 HydrophobicContact CZ-CG1 4.43Å; F202-I204 HydrophobicContact CB-CD1 3.76Å; F202-I204 HydrophobicContact CB-CG1 3.6Å; I204-I226 HydrophobicContact CD1-CD1 4Å; I204-I226 HydrophobicContact CG2-CD1 3.95Å; I204-F232 HydrophobicContact CG2-CD1 3.94Å; I204-F232 HydrophobicContact CG2-CE1 3.4Å; I204-F232 HydrophobicContact CG2-CZ 3.93Å; I204-L254 WeakPolarHBondContact CA-O 3.45Å; I204-L254 HydrophobicContact CG1-CB 4.45Å; I204-L254 HydrophobicContact CG1-CD1 4.37Å; I204-L254 HydrophobicContact CG2-CB 4.31Å
205	I	98.3	Very high	95.8	Very high	58 Å²	58	32.6 Å²	32.6	30%	0.297	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	104.8	164.5	-57.8	172	0	0	0	106.7	C158 V159 L254 E255 S256	C158-I205 HydrophobicContact CB-CG2 3.81Å; V159-I205 WeakPolarHBondContact O-CA 3.34Å; I205-L254 PolarHBondContact N-O 3.36Å; I205-E255 HydrophobicContact CB-CG 4.42Å; I205-E255 HydrophobicContact CD1-CG 4.32Å; I205-S256 VanDerWaalsContact O-CB 3.24Å; I205-S256 WeakPolarHBondContact O-CB 3.45Å; I205-S256 PolarHBondContact O-N 3.3Å
206	T	98	Very high	96.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	135.6	-177.7	171.1	0	0	0	0	110.8	C158 V159 T161 G209 V224 I226 E230	C158-T206 CarbonylContact C-O 3.55Å; C158-T206 WeakPolarHBondContact CA-O 3.22Å; C158-T206 WeakPolarHBondContact CB-O 3.16Å; V159-T206 HydrophobicContact CG2-CG2 3.83Å; V159-T206 PolarHBondContact N-O 3Å; V159-T206 PolarHBondContact O-N 3.18Å; T161-T206 HydrophobicContact CG2-CG2 4.01Å; T206-G209 WeakPolarHBondContact OG1-CA 3.28Å; T206-G209 PolarHBondContact OG1-N 3.34Å; T206-V224 HydrophobicContact CG2-CG1 4.09Å; T206-I226 HydrophobicContact CG2-CD1 4.11Å; T206-I226 HydrophobicContact CG2-CG1 4.09Å; T206-E230 WeakPolarHBondContact CA-OE1 3.18Å; T206-E230 PolarHBondContact OG1-OE1 3Å; T206-E230 PolarHBondContact OG1-OE2 2.73Å
207	C	97.1	Very high	96.8	Very high	4 Å²	4	29.7 Å²	29.7	3%	0.027	15%	0.147	C	C	.	.	S	Bend	trans	-102.5	-23.5	177.7	-52.9	0	0	0	0	112.2	A155 C158 E230 S256	A155-C207 HydrophobicContact CB-CB 4.47Å; C158-C207 HydrophobicContact CB-CB 4Å; C158-C207 WeakPolarHBondContact CB-SG 3.43Å; C158-C207 WeakPolarHBondContact SG-CB 3.19Å; C158-C207 CovalentContact SG-SG 2.03Å; C158-C207 PolarHBondContact SG-SG 3.5Å; C207-E230 PolarHBondContact N-OE1 3.45Å; C207-S256 WeakPolarHBondContact SG-CB 3.45Å; C207-S256 PolarHBondContact SG-OG 2.99Å
208	F	96.7	Very high	97	Very high	34 Å²	34	32.6 Å²	32.6	15%	0.149	16%	0.158	C	C	.	.	S	Bend	trans	-102.9	-12.4	179.8	-64	-100.1	0	0	0	113.3	A155 P227 Y229 E230	A155-F208 HydrophobicContact CB-CZ 4.42Å; F208-P227 HydrophobicContact CB-CG 3.68Å; F208-P227 WeakPolarHBondContact O-CD 3.39Å; F208-Y229 HydrophobicContact CB-CE2 4.3Å; F208-Y229 AromaticContact CD1-CE2 3.74Å; F208-Y229 HydrophobicContact CD1-CE2 3.74Å; F208-Y229 HydrophobicContact CE1-CE2 4.37Å; F208-Y229 HydrophobicContact CG-CE2 4.21Å; F208-E230 HydrophobicContact CB-CB 4.23Å; F208-E230 HydrophobicContact CB-CG 4.31Å; F208-E230 HydrophobicContact CD2-CB 4.22Å; F208-E230 HydrophobicContact CD2-CG 3.69Å; F208-E230 HydrophobicContact CE2-CG 4.46Å; F208-E230 HydrophobicContact CG-CB 4.46Å; F208-E230 HydrophobicContact CG-CG 4.35Å; F208-E230 PolarHBondContact N-OE1 3.35Å; F208-E230 PolarHBondContact N-OE2 3.34Å
209	G	97.4	Very high	96.9	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.01	16%	0.159	C	C	.	.			trans	-65.9	136.9	173.5	0	0	0	0	0	111.7	T206 L225	T206-G209 WeakPolarHBondContact OG1-CA 3.28Å; T206-G209 PolarHBondContact OG1-N 3.34Å; G209-L225 VanDerWaalsContact CA-O 3.3Å; G209-L225 WeakPolarHBondContact CA-O 3.43Å
210	A	97.1	Very high	96.7	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.008	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	141	179.1	0	0	0	0	0	111.4	L148 L151 K152 I212 V224 L225	L148-A210 HydrophobicContact CB-CB 4.36Å; L148-A210 HydrophobicContact CD2-CB 3.79Å; L151-A210 HydrophobicContact CB-CB 3.72Å; L151-A210 HydrophobicContact CD1-CB 4.31Å; K152-A210 HydrophobicContact CB-CB 3.98Å; A210-I212 PolarHBondContact O-N 3.39Å; A210-V224 CarbonylContact O-C 3.59Å; A210-V224 VanDerWaalsContact O-CA 3.29Å; A210-V224 WeakPolarHBondContact O-CA 3.46Å; A210-L225 PolarHBondContact N-O 2.92Å; A210-L225 PolarHBondContact O-N 3.02Å
211	D	96.9	Very high	96.5	Very high	82 Å²	82	42 Å²	42	44%	0.439	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	113.8	170.5	-176.4	-7.4	0	0	0	109.4	L187 S213 V224	L187-D211 HydrophobicContact CD1-CB 4.26Å; D211-S213 WeakPolarHBondContact OD1-CB 3.28Å; D211-S213 PolarHBondContact OD1-N 3.24Å; D211-S213 PolarHBondContact OD1-OG 3.25Å; D211-V224 HydrophobicContact CB-CG2 4.22Å
212	I	97.9	Very high	96.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.228	C	C	.	.			trans	-105.3	7.7	-179.2	60.7	158	0	0	0	112.8	V106 T110 L148 L151 A210 E214 F215 S216 E223 L225	V106-I212 HydrophobicContact CG1-CB 3.69Å; V106-I212 HydrophobicContact CG1-CD1 3.95Å; V106-I212 HydrophobicContact CG1-CG1 4.4Å; V106-I212 HydrophobicContact CG1-CG2 4.09Å; V106-I212 HydrophobicContact CG2-CG2 4.46Å; T110-I212 HydrophobicContact CG2-CD1 3.79Å; L148-I212 HydrophobicContact CD2-CG2 3.78Å; L151-I212 HydrophobicContact CD1-CG2 3.92Å; A210-I212 PolarHBondContact O-N 3.39Å; I212-E214 PolarHBondContact O-N 2.71Å; I212-E214 VanDerWaalsContact O-N 3.11Å; I212-F215 PolarHBondContact O-N 2.79Å; I212-S216 PolarHBondContact O-N 3.46Å; I212-E223 HydrophobicContact CD1-CB 4.4Å; I212-E223 HydrophobicContact CD1-CG 3.99Å; I212-E223 HydrophobicContact CG1-CB 4.01Å; I212-E223 HydrophobicContact CG1-CG 3.99Å; I212-E223 VanDerWaalsContact CG1-O 3.28Å; I212-E223 WeakPolarHBondContact CG1-O 3.21Å; I212-E223 PolarHBondContact N-O 2.95Å; I212-L225 HydrophobicContact CD1-CB 3.79Å; I212-L225 HydrophobicContact CD1-CD2 4.11Å; I212-L225 HydrophobicContact CD1-CG 4.49Å; I212-L225 HydrophobicContact CG1-CB 4.07Å; I212-L225 HydrophobicContact CG2-CB 4.09Å
213	S	96.5	Very high	96.3	Very high	14 Å²	14	48.2 Å²	48.2	10%	0.098	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-32.5	-171.6	-54.9	0	0	0	0	113.4	D211 F215 K219 K222 E223	D211-S213 WeakPolarHBondContact OD1-CB 3.28Å; D211-S213 PolarHBondContact OD1-N 3.24Å; D211-S213 PolarHBondContact OD1-OG 3.25Å; S213-F215 VanDerWaalsContact C-N 3.27Å; S213-F215 PolarHBondContact O-N 3.26Å; S213-K219 VanDerWaalsContact O-CG 3.28Å; S213-K219 WeakPolarHBondContact O-CG 3.48Å; S213-K222 WeakPolarHBondContact OG-CA 3.48Å; S213-E223 PolarHBondContact OG-N 3.31Å; S213-E223 VanDerWaalsContact OG-N 3.12Å
214	E	96.6	Very high	96.3	Very high	109 Å²	109	45.3 Å²	45.3	51%	0.509	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-32.8	-179.4	-178.4	168.3	-156.7	0	0	113.2	Y86 K90 W91 I212 K219	Y86-E214 PolarHBondContact OH-O 2.78Å; K90-E214 PolarHBondContact NZ-O 2.73Å; W91-E214 HydrophobicContact CH2-CG 3.68Å; W91-E214 WeakPolarHBondContact CH2-OE1 3.41Å; W91-E214 HydrophobicContact CZ2-CG 3.92Å; I212-E214 PolarHBondContact O-N 2.71Å; I212-E214 VanDerWaalsContact O-N 3.11Å; E214-K219 VanDerWaalsContact O-CE 3.26Å; E214-K219 WeakPolarHBondContact O-CE 3.46Å
215	F	97.8	Very high	96.3	Very high	1 Å²	1	45.3 Å²	45.3	0%	0.004	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-18.3	-175.5	-53.7	-75.2	0	0	0	112.7	Y86 W91 S96 L98 I103 V106 H107 L151 I212 S213	Y86-F215 PolarHBondContact OH-O 3.02Å; W91-F215 HydrophobicContact CD2-CE1 4.41Å; W91-F215 AromaticContact CE2-CD1 3.88Å; W91-F215 AromaticContact CE2-CE1 3.98Å; W91-F215 HydrophobicContact CE3-CE1 4.39Å; W91-F215 HydrophobicContact CH2-CD1 4.04Å; W91-F215 AromaticContact CH2-CE1 3.5Å; W91-F215 HydrophobicContact CH2-CE1 3.5Å; W91-F215 VanDerWaalsContact CH2-CE1 3.5Å; W91-F215 HydrophobicContact CH2-CZ 4.18Å; W91-F215 AromaticContact CZ2-CD1 3.53Å; W91-F215 HydrophobicContact CZ2-CD1 3.53Å; W91-F215 AromaticContact CZ2-CE1 3.49Å; W91-F215 HydrophobicContact CZ2-CE1 3.49Å; W91-F215 VanDerWaalsContact CZ2-CE1 3.49Å; W91-F215 HydrophobicContact CZ2-CZ 4.48Å; W91-F215 AromaticContact CZ3-CE1 3.97Å; W91-F215 HydrophobicContact CZ3-CE1 3.97Å; S96-F215 VanDerWaalsContact OG-CE1 3.28Å; S96-F215 WeakPolarHBondContact OG-CE1 3.46Å; S96-F215 WeakPolarHBondContact OG-CZ 3.44Å; L98-F215 HydrophobicContact CB-CE1 4.41Å; L98-F215 HydrophobicContact CB-CZ 4.32Å; L98-F215 HydrophobicContact CD1-CD1 4.16Å; L98-F215 HydrophobicContact CD1-CD2 3.65Å; L98-F215 HydrophobicContact CD1-CE1 4.13Å; L98-F215 HydrophobicContact CD1-CE2 3.64Å; L98-F215 HydrophobicContact CD1-CG 3.93Å; L98-F215 HydrophobicContact CD1-CZ 3.88Å; L98-F215 HydrophobicContact CG-CD2 4.49Å; L98-F215 HydrophobicContact CG-CE1 4.39Å; L98-F215 HydrophobicContact CG-CE2 3.99Å; L98-F215 HydrophobicContact CG-CZ 3.92Å; I103-F215 HydrophobicContact CB-CD1 4.33Å; I103-F215 HydrophobicContact CD1-CD1 4.42Å; I103-F215 HydrophobicContact CD1-CE1 4.11Å; I103-F215 HydrophobicContact CG1-CD1 3.82Å; I103-F215 HydrophobicContact CG1-CE1 3.82Å; I103-F215 HydrophobicContact CG2-CD1 3.98Å; V106-F215 HydrophobicContact CB-CB 4.08Å; V106-F215 HydrophobicContact CG1-CB 3.57Å; H107-F215 PolarHBondContact ND1-O 3.07Å; H107-F215 VanDerWaalsContact ND1-O 3.1Å; L151-F215 HydrophobicContact CD1-CD2 4.48Å; L151-F215 HydrophobicContact CD1-CE2 4.47Å; L151-F215 HydrophobicContact CD2-CE2 3.84Å; I212-F215 PolarHBondContact O-N 2.79Å; S213-F215 VanDerWaalsContact C-N 3.27Å; S213-F215 PolarHBondContact O-N 3.26Å
216	S	96.9	Very high	96.3	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.014	20%	0.202	C	C	.	.	S	Bend	trans	-61.3	149.4	177.4	177.5	0	0	0	0	113.4	T110 I212 F218	T110-S216 WeakPolarHBondContact CB-OG 3.34Å; T110-S216 WeakPolarHBondContact CG2-OG 3.44Å; T110-S216 WeakPolarHBondContact OG1-CA 3.44Å; I212-S216 PolarHBondContact O-N 3.46Å; S216-F218 PolarHBondContact O-N 3.45Å; S216-F218 PolarHBondContact OG-N 3.12Å
217	K	96.5	Very high	96.3	Very high	116 Å²	116	42.7 Å²	42.7	50%	0.504	20%	0.203	S	C	.	.	S	Bend	trans	-63.1	-32.5	167.3	178.1	58.6	-176.3	175.8	0	111.9	T110 L111	T110-K217 PolarHBondContact OG1-N 3.46Å; L111-K217 HydrophobicContact CD2-CB 4.2Å; L111-K217 HydrophobicContact CD2-CD 4.31Å; L111-K217 HydrophobicContact CD2-CG 4.13Å
218	F	93.9	Very high	96.3	Very high	69 Å²	69	42.5 Å²	42.5	30%	0.303	20%	0.202	S	C	.	.			trans	-118.3	70.1	-176.4	-55.1	-76.8	0	0	0	110.9	T110 E112 S216 L220 E221	T110-F218 WeakPolarHBondContact O-CD2 3.42Å; T110-F218 VanDerWaalsContact O-CE2 3.24Å; T110-F218 WeakPolarHBondContact O-CE2 3.47Å; E112-F218 HydrophobicContact CB-CE2 4.44Å; E112-F218 HydrophobicContact CB-CZ 4.27Å; E112-F218 HydrophobicContact CG-CE2 3.64Å; E112-F218 HydrophobicContact CG-CZ 3.63Å; S216-F218 PolarHBondContact O-N 3.45Å; S216-F218 PolarHBondContact OG-N 3.12Å; F218-L220 PolarHBondContact O-N 3.24Å; F218-E221 HydrophobicContact CB-CB 4.43Å; F218-E221 HydrophobicContact CB-CG 3.75Å; F218-E221 WeakPolarHBondContact O-CB 3.46Å; F218-E221 PolarHBondContact O-N 2.92Å
219	K	92.1	Very high	96.4	Very high	101 Å²	101	41.1 Å²	41.1	44%	0.439	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-49.2	-32.4	-178.7	-57	-161	159.7	-165.1	0	114.8	K90 S213 E214 E221 K222	K90-K219 VanDerWaalsContact NZ-CE 3.32Å; S213-K219 VanDerWaalsContact O-CG 3.28Å; S213-K219 WeakPolarHBondContact O-CG 3.48Å; E214-K219 VanDerWaalsContact O-CE 3.26Å; E214-K219 WeakPolarHBondContact O-CE 3.46Å; K219-E221 PolarHBondContact O-N 3.4Å; K219-K222 PolarHBondContact O-N 2.91Å
220	L	91.6	Very high	96.4	Very high	169 Å²	169	41.1 Å²	41.1	89%	0.885	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-73.2	-14.5	-177.8	-63.1	179.7	0	0	0	113.6	F218 K222	F218-L220 PolarHBondContact O-N 3.24Å; L220-K222 PolarHBondContact O-N 3.21Å
221	E	91.6	Very high	96.5	Very high	57 Å²	57	41.4 Å²	41.4	27%	0.266	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-72.7	-11.1	174.5	-65.6	-172.7	158.2	0	0	112.6	S186 F218 K219 E223	S186-E221 WeakPolarHBondContact CB-O 3.3Å; S186-E221 PolarHBondContact OG-O 2.94Å; F218-E221 HydrophobicContact CB-CB 4.43Å; F218-E221 HydrophobicContact CB-CG 3.75Å; F218-E221 WeakPolarHBondContact O-CB 3.46Å; F218-E221 PolarHBondContact O-N 2.92Å; K219-E221 PolarHBondContact O-N 3.4Å; E221-E223 PolarHBondContact O-N 2.97Å
222	K	94.9	Very high	96.6	Very high	123 Å²	123	37.6 Å²	37.6	54%	0.535	18%	0.176	S	C	.	.			trans	49.2	46.3	179.7	-60.9	-175.8	178.1	-177.8	0	111.6	S186 L187 S213 K219 L220 V224	S186-K222 WeakPolarHBondContact CA-O 3.5Å; L187-K222 HydrophobicContact CB-CB 4.11Å; L187-K222 PolarHBondContact N-O 3.44Å; S213-K222 WeakPolarHBondContact OG-CA 3.48Å; K219-K222 PolarHBondContact O-N 2.91Å; L220-K222 PolarHBondContact O-N 3.21Å; K222-V224 PolarHBondContact O-N 3.22Å
223	E	97.3	Very high	96.6	Very high	10 Å²	10	41.6 Å²	41.6	5%	0.047	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	122.7	-166.7	-172.8	178	178.4	0	0	110.8	T110 S184 S185 I212 S213 E221	T110-E223 WeakPolarHBondContact CG2-OE2 3.42Å; S184-E223 WeakPolarHBondContact CB-OE1 3.24Å; S184-E223 PolarHBondContact OG-OE1 3.18Å; S185-E223 CarbonylContact O-C 3.52Å; S185-E223 VanDerWaalsContact O-CA 3.3Å; S185-E223 WeakPolarHBondContact O-CA 3.02Å; I212-E223 HydrophobicContact CD1-CB 4.4Å; I212-E223 HydrophobicContact CD1-CG 3.99Å; I212-E223 HydrophobicContact CG1-CB 4.01Å; I212-E223 HydrophobicContact CG1-CG 3.99Å; I212-E223 VanDerWaalsContact CG1-O 3.28Å; I212-E223 WeakPolarHBondContact CG1-O 3.21Å; I212-E223 PolarHBondContact N-O 2.95Å; S213-E223 PolarHBondContact OG-N 3.31Å; S213-E223 VanDerWaalsContact OG-N 3.12Å; E221-E223 PolarHBondContact O-N 2.97Å
224	V	98.1	Very high	96.7	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	120.3	163.2	168.1	0	0	0	0	108.2	V159 T161 S185 L187 T206 A210 D211 K222 I226	V159-V224 HydrophobicContact CG2-CG1 4.49Å; T161-V224 HydrophobicContact CG2-CB 3.7Å; T161-V224 HydrophobicContact CG2-CG1 3.82Å; T161-V224 HydrophobicContact CG2-CG2 3.91Å; S185-V224 PolarHBondContact N-O 2.79Å; S185-V224 PolarHBondContact O-N 2.93Å; S185-V224 PolarHBondContact OG-O 2.93Å; L187-V224 HydrophobicContact CD1-CG2 3.62Å; L187-V224 HydrophobicContact CD2-CG2 3.87Å; L187-V224 HydrophobicContact CG-CG2 3.44Å; L187-V224 VanDerWaalsContact CG-CG2 3.44Å; T206-V224 HydrophobicContact CG2-CG1 4.09Å; A210-V224 CarbonylContact O-C 3.59Å; A210-V224 VanDerWaalsContact O-CA 3.29Å; A210-V224 WeakPolarHBondContact O-CA 3.46Å; D211-V224 HydrophobicContact CB-CG2 4.22Å; K222-V224 PolarHBondContact O-N 3.22Å; V224-I226 HydrophobicContact CG1-CG1 4.47Å
225	L	98.6	Very high	96.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	120.9	179.1	-171.9	60.8	0	0	0	109.9	Y109 L144 L148 F182 G209 A210 I212	Y109-L225 HydrophobicContact CD1-CD1 4.22Å; Y109-L225 HydrophobicContact CD1-CD2 3.89Å; Y109-L225 HydrophobicContact CE1-CD1 3.38Å; Y109-L225 HydrophobicContact CE1-CD2 3.88Å; Y109-L225 HydrophobicContact CE1-CG 4.28Å; Y109-L225 HydrophobicContact CG-CD2 4.35Å; L144-L225 HydrophobicContact CD1-CD2 3.82Å; L144-L225 HydrophobicContact CD2-CD2 4.05Å; L144-L225 HydrophobicContact CG-CD2 4.04Å; L148-L225 HydrophobicContact CD1-CD2 4.38Å; L148-L225 HydrophobicContact CD1-CG 4.2Å; L148-L225 HydrophobicContact CD2-CB 3.89Å; L148-L225 HydrophobicContact CD2-CD2 4.17Å; L148-L225 HydrophobicContact CD2-CG 4.23Å; F182-L225 HydrophobicContact CB-CD1 4.01Å; F182-L225 HydrophobicContact CB-CD2 4.5Å; F182-L225 HydrophobicContact CB-CG 4.43Å; F182-L225 HydrophobicContact CD1-CD2 4Å; F182-L225 HydrophobicContact CD1-CG 4.21Å; G209-L225 VanDerWaalsContact CA-O 3.3Å; G209-L225 WeakPolarHBondContact CA-O 3.43Å; A210-L225 PolarHBondContact N-O 2.92Å; A210-L225 PolarHBondContact O-N 3.02Å; I212-L225 HydrophobicContact CD1-CB 3.79Å; I212-L225 HydrophobicContact CD1-CD2 4.11Å; I212-L225 HydrophobicContact CD1-CG 4.49Å; I212-L225 HydrophobicContact CG1-CB 4.07Å; I212-L225 HydrophobicContact CG2-CB 4.09Å
226	I	98.7	Very high	96.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	129	-178.7	-60.4	171.5	0	0	0	108.8	F179 F182 T183 I204 T206 V224 E230 F232	F179-I226 HydrophobicContact CE2-CD1 4.48Å; F182-I226 WeakPolarHBondContact CA-O 2.94Å; T183-I226 PolarHBondContact N-O 3.22Å; T183-I226 WeakPolarHBondContact O-CB 3.47Å; T183-I226 PolarHBondContact O-N 2.9Å; I204-I226 HydrophobicContact CD1-CD1 4Å; I204-I226 HydrophobicContact CG2-CD1 3.95Å; T206-I226 HydrophobicContact CG2-CD1 4.11Å; T206-I226 HydrophobicContact CG2-CG1 4.09Å; V224-I226 HydrophobicContact CG1-CG1 4.47Å; I226-E230 HydrophobicContact CG2-CB 4.33Å; I226-E230 WeakPolarHBondContact CG2-OE2 3.38Å; I226-F232 HydrophobicContact CD1-CZ 4.38Å; I226-F232 HydrophobicContact CG2-CE2 4.06Å; I226-F232 HydrophobicContact CG2-CZ 3.77Å
227	P	98.3	Very high	96.9	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.013	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-70.5	159.6	178.7	28.3	-33.1	0	0	0	112.6	L148 F208 Y229	L148-P227 HydrophobicContact CD1-CB 3.98Å; L148-P227 HydrophobicContact CD1-CG 4.47Å; F208-P227 HydrophobicContact CB-CG 3.68Å; F208-P227 WeakPolarHBondContact O-CD 3.39Å; P227-Y229 HydrophobicContact CB-CD1 3.91Å; P227-Y229 HydrophobicContact CB-CD2 4.22Å; P227-Y229 HydrophobicContact CB-CE1 3.41Å; P227-Y229 VanDerWaalsContact CB-CE1 3.41Å; P227-Y229 HydrophobicContact CB-CE2 3.76Å; P227-Y229 HydrophobicContact CB-CG 4.29Å; P227-Y229 HydrophobicContact CG-CD2 4.04Å; P227-Y229 HydrophobicContact CG-CE1 4.07Å; P227-Y229 HydrophobicContact CG-CE2 3.42Å; P227-Y229 VanDerWaalsContact CG-CE2 3.42Å; P227-Y229 VanDerWaalsContact CG-CZ 3.44Å; P227-Y229 PolarHBondContact O-N 3.4Å
228	P	98	Very high	96.9	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-20.4	-175.4	26.4	-35.2	0	0	0	114.5	D50 V124 R178 F182	D50-P228 HydrophobicContact CB-CB 4.44Å; D50-P228 HydrophobicContact CB-CG 4.47Å; V124-P228 HydrophobicContact CG1-CB 4.25Å; R178-P228 VanDerWaalsContact CZ-O 3.29Å; R178-P228 PolarHBondContact NE-O 3.39Å; R178-P228 PolarHBondContact NH2-O 3.07Å; F182-P228 HydrophobicContact CD2-CG 4.44Å; F182-P228 HydrophobicContact CE2-CG 4.07Å; F182-P228 HydrophobicContact CZ-CG 4.38Å
229	Y	97.7	Very high	97	Very high	5 Å²	5	39.7 Å²	39.7	2%	0.02	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-10.3	-171.4	51.4	-108	0	0	0	115	M52 T145 F208 P227 V231 F260 H261	M52-Y229 HydrophobicContact CE-CD2 4.01Å; M52-Y229 HydrophobicContact CE-CE1 4.45Å; M52-Y229 HydrophobicContact CE-CE2 3.78Å; M52-Y229 HydrophobicContact CE-CG 4.45Å; M52-Y229 HydrophobicContact CG-CD1 3.42Å; M52-Y229 VanDerWaalsContact CG-CD1 3.42Å; M52-Y229 HydrophobicContact CG-CD2 4.21Å; M52-Y229 HydrophobicContact CG-CE1 3.68Å; M52-Y229 HydrophobicContact CG-CE2 4.45Å; M52-Y229 HydrophobicContact CG-CG 3.7Å; M52-Y229 HydrophobicContact SD-CD1 4.25Å; M52-Y229 HydrophobicContact SD-CD2 3.97Å; M52-Y229 HydrophobicContact SD-CE2 4.32Å; M52-Y229 HydrophobicContact SD-CG 3.93Å; T145-Y229 HydrophobicContact CG2-CE1 4.17Å; F208-Y229 HydrophobicContact CB-CE2 4.3Å; F208-Y229 AromaticContact CD1-CE2 3.74Å; F208-Y229 HydrophobicContact CD1-CE2 3.74Å; F208-Y229 HydrophobicContact CE1-CE2 4.37Å; F208-Y229 HydrophobicContact CG-CE2 4.21Å; P227-Y229 HydrophobicContact CB-CD1 3.91Å; P227-Y229 HydrophobicContact CB-CD2 4.22Å; P227-Y229 HydrophobicContact CB-CE1 3.41Å; P227-Y229 VanDerWaalsContact CB-CE1 3.41Å; P227-Y229 HydrophobicContact CB-CE2 3.76Å; P227-Y229 HydrophobicContact CB-CG 4.29Å; P227-Y229 HydrophobicContact CG-CD2 4.04Å; P227-Y229 HydrophobicContact CG-CE1 4.07Å; P227-Y229 HydrophobicContact CG-CE2 3.42Å; P227-Y229 VanDerWaalsContact CG-CE2 3.42Å; P227-Y229 VanDerWaalsContact CG-CZ 3.44Å; P227-Y229 PolarHBondContact O-N 3.4Å; Y229-V231 PolarHBondContact O-N 3.31Å; Y229-F260 HydrophobicContact CD2-CB 3.83Å; Y229-F260 HydrophobicContact CG-CB 4.45Å; Y229-F260 CarbonylContact O-C 3.56Å; Y229-F260 VanDerWaalsContact O-CA 3.23Å; Y229-F260 WeakPolarHBondContact O-CA 3.5Å; Y229-H261 WeakPolarHBondContact CA-O 3.44Å; Y229-H261 VanDerWaalsContact CB-O 3.26Å; Y229-H261 WeakPolarHBondContact CB-O 3.4Å; Y229-H261 PolarHBondContact O-N 2.88Å
230	E	98.1	Very high	96.9	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	128.3	-177.5	-176.1	170.4	-162.5	0	0	112	R178 T206 C207 F208 I226 F232 S256	R178-E230 WeakPolarHBondContact CG-O 3.35Å; T206-E230 WeakPolarHBondContact CA-OE1 3.18Å; T206-E230 PolarHBondContact OG1-OE1 3Å; T206-E230 PolarHBondContact OG1-OE2 2.73Å; C207-E230 PolarHBondContact N-OE1 3.45Å; F208-E230 HydrophobicContact CB-CB 4.23Å; F208-E230 HydrophobicContact CB-CG 4.31Å; F208-E230 HydrophobicContact CD2-CB 4.22Å; F208-E230 HydrophobicContact CD2-CG 3.69Å; F208-E230 HydrophobicContact CE2-CG 4.46Å; F208-E230 HydrophobicContact CG-CB 4.46Å; F208-E230 HydrophobicContact CG-CG 4.35Å; F208-E230 PolarHBondContact N-OE1 3.35Å; F208-E230 PolarHBondContact N-OE2 3.34Å; I226-E230 HydrophobicContact CG2-CB 4.33Å; I226-E230 WeakPolarHBondContact CG2-OE2 3.38Å; E230-F232 HydrophobicContact CB-CE2 3.88Å; E230-F232 HydrophobicContact CB-CZ 4Å; E230-F232 HydrophobicContact CG-CD2 4.39Å; E230-F232 HydrophobicContact CG-CE1 4.01Å; E230-F232 HydrophobicContact CG-CE2 3.71Å; E230-F232 HydrophobicContact CG-CZ 3.49Å; E230-F232 VanDerWaalsContact CG-CZ 3.49Å; E230-F232 WeakPolarHBondContact O-CD2 3.47Å; E230-F232 WeakPolarHBondContact O-CE2 3.39Å; E230-F232 VanDerWaalsContact OE2-CZ 3.27Å; E230-F232 WeakPolarHBondContact OE2-CZ 3.41Å; E230-S256 WeakPolarHBondContact OE1-CB 3.28Å; E230-S256 PolarHBondContact OE1-OG 2.84Å
231	V	98.4	Very high	96.7	Very high	7 Å²	7	34.9 Å²	34.9	4%	0.042	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	127.9	179.7	-179.8	0	0	0	0	110.6	L44 E176 R178 Y229 T257 K259 H261	L44-V231 HydrophobicContact CD2-CG1 4.35Å; E176-V231 HydrophobicContact CB-CG1 4.02Å; E176-V231 HydrophobicContact CG-CG1 4.31Å; R178-V231 HydrophobicContact CG-CB 4.48Å; R178-V231 HydrophobicContact CG-CG2 3.93Å; Y229-V231 PolarHBondContact O-N 3.31Å; V231-T257 WeakPolarHBondContact CB-OG1 3.44Å; V231-T257 HydrophobicContact CG1-CG2 4.08Å; V231-T257 PolarHBondContact O-N 3.42Å; V231-T257 PolarHBondContact O-OG1 3.47Å; V231-K259 PolarHBondContact N-O 3.22Å; V231-K259 VanDerWaalsContact N-O 3.15Å; V231-H261 HydrophobicContact CG2-CB 3.77Å
232	F	98.8	Very high	96.3	Very high	1 Å²	1	39.1 Å²	39.1	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	144.9	179.2	-59.4	-87.6	0	0	0	111.4	E176 V177 F179 I204 I226 E230 L254 E255	E176-F232 CarbonylContact C-O 3.51Å; E176-F232 VanDerWaalsContact CA-O 3.24Å; E176-F232 WeakPolarHBondContact CA-O 3.39Å; V177-F232 HydrophobicContact CG2-CB 4.12Å; V177-F232 PolarHBondContact N-O 2.86Å; V177-F232 PolarHBondContact O-N 3.14Å; F179-F232 HydrophobicContact CD2-CD2 4.39Å; F179-F232 AromaticContact CD2-CE2 3.91Å; F179-F232 HydrophobicContact CD2-CE2 3.91Å; F179-F232 HydrophobicContact CE2-CD2 4.22Å; F179-F232 AromaticContact CE2-CE2 3.85Å; F179-F232 HydrophobicContact CE2-CE2 3.85Å; F179-F232 HydrophobicContact CE2-CZ 4.34Å; I204-F232 HydrophobicContact CG2-CD1 3.94Å; I204-F232 HydrophobicContact CG2-CE1 3.4Å; I204-F232 HydrophobicContact CG2-CZ 3.93Å; I226-F232 HydrophobicContact CD1-CZ 4.38Å; I226-F232 HydrophobicContact CG2-CE2 4.06Å; I226-F232 HydrophobicContact CG2-CZ 3.77Å; E230-F232 HydrophobicContact CB-CE2 3.88Å; E230-F232 HydrophobicContact CB-CZ 4Å; E230-F232 HydrophobicContact CG-CD2 4.39Å; E230-F232 HydrophobicContact CG-CE1 4.01Å; E230-F232 HydrophobicContact CG-CE2 3.71Å; E230-F232 HydrophobicContact CG-CZ 3.49Å; E230-F232 VanDerWaalsContact CG-CZ 3.49Å; E230-F232 WeakPolarHBondContact O-CD2 3.47Å; E230-F232 WeakPolarHBondContact O-CE2 3.39Å; E230-F232 VanDerWaalsContact OE2-CZ 3.27Å; E230-F232 WeakPolarHBondContact OE2-CZ 3.41Å; F232-L254 HydrophobicContact CB-CB 4.08Å; F232-L254 HydrophobicContact CB-CD1 4.44Å; F232-L254 HydrophobicContact CD1-CB 4.17Å; F232-L254 HydrophobicContact CG-CB 4.29Å; F232-E255 CarbonylContact C-O 3.56Å; F232-E255 WeakPolarHBondContact CA-O 3.2Å
233	K	98.8	Very high	95.8	Very high	84 Å²	84	38 Å²	38	37%	0.365	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	132.8	164	-174.2	177.9	179.2	-173.9	0	109.5	N174 R175 T235 L254 E255 T257	N174-K233 WeakPolarHBondContact OD1-CE 3.43Å; N174-K233 PolarHBondContact OD1-NZ 3.02Å; R175-K233 WeakPolarHBondContact O-CA 3.08Å; K233-T235 PolarHBondContact O-N 2.97Å; K233-L254 WeakPolarHBondContact O-CA 3.36Å; K233-E255 PolarHBondContact N-O 3.41Å; K233-E255 PolarHBondContact O-N 3.28Å; K233-T257 HydrophobicContact CB-CG2 4.12Å
234	V	98.8	Very high	94.6	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	110	170.9	-174.4	0	0	0	0	108.7	T171 G172 N174 R175 V177 I237 L254	T171-V234 HydrophobicContact CG2-CG1 4.4Å; T171-V234 HydrophobicContact CG2-CG2 3.96Å; G172-V234 WeakPolarHBondContact O-CB 3.35Å; N174-V234 PolarHBondContact N-O 3.17Å; R175-V234 PolarHBondContact O-N 2.9Å; V177-V234 HydrophobicContact CG1-CG2 3.85Å; V177-V234 HydrophobicContact CG2-CG2 4Å; V234-I237 HydrophobicContact CG1-CD1 3.94Å; V234-I237 HydrophobicContact CG1-CG1 3.68Å; V234-L254 HydrophobicContact CB-CD2 4.22Å; V234-L254 HydrophobicContact CG1-CD2 4.36Å; V234-L254 HydrophobicContact CG2-CD2 3.73Å
235	T	98.6	Very high	94.1	Very high	54 Å²	54	49.6 Å²	49.6	33%	0.331	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-30.8	-176.3	54.9	0	0	0	0	112.7	K233 N253 E255	K233-T235 PolarHBondContact O-N 2.97Å; T235-N253 PolarHBondContact N-O 3.1Å; T235-N253 WeakPolarHBondContact OG1-CB 3.44Å; T235-N253 PolarHBondContact OG1-O 3.33Å; T235-E255 HydrophobicContact CG2-CB 3.72Å
236	D	98.2	Very high	93.8	Very high	54 Å²	54	50.3 Å²	50.3	29%	0.289	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	153.7	177.7	-171	27.9	0	0	0	111.9	Q238 N253	D236-Q238 VanDerWaalsContact OD2-CG 3.27Å; D236-Q238 WeakPolarHBondContact OD2-CG 3.35Å; D236-Q238 PolarHBondContact OD2-NE2 3.42Å; D236-N253 HydrophobicContact CB-CB 3.97Å; D236-N253 PolarHBondContact O-N 3.31Å
237	I	97.6	Very high	93.6	Very high	29 Å²	29	52.5 Å²	52.5	15%	0.149	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	109.7	173.2	-53.4	178.3	0	0	0	108.9	T171 I173 V234 V250 V251 Y252	T171-I237 HydrophobicContact CG2-CD1 4.05Å; I173-I237 HydrophobicContact CG1-CB 4.41Å; I173-I237 HydrophobicContact CG1-CD1 4.21Å; I173-I237 HydrophobicContact CG1-CG1 3.96Å; V234-I237 HydrophobicContact CG1-CD1 3.94Å; V234-I237 HydrophobicContact CG1-CG1 3.68Å; I237-V250 HydrophobicContact CG2-CG1 3.72Å; I237-V251 CarbonylContact C-O 3.26Å; I237-V251 WeakPolarHBondContact CA-O 3.15Å; I237-Y252 HydrophobicContact CD1-CD1 4.17Å; I237-Y252 HydrophobicContact CD1-CE1 4.27Å; I237-Y252 HydrophobicContact CG1-CD1 3.95Å; I237-Y252 HydrophobicContact CG1-CE1 4.42Å; I237-Y252 HydrophobicContact CG2-CD1 4.11Å; I237-Y252 HydrophobicContact CG2-CE1 4.04Å
238	Q	96.6	Very high	93.5	Very high	43 Å²	43	52.4 Å²	52.4	20%	0.201	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	132.5	177.9	-66.5	170.8	62.8	0	0	110.7	D236 L246 V250 V251	D236-Q238 VanDerWaalsContact OD2-CG 3.27Å; D236-Q238 WeakPolarHBondContact OD2-CG 3.35Å; D236-Q238 PolarHBondContact OD2-NE2 3.42Å; Q238-L246 HydrophobicContact CB-CD1 3.61Å; Q238-L246 HydrophobicContact CB-CD2 4.1Å; Q238-L246 WeakPolarHBondContact O-CD1 3.34Å; Q238-V250 CarbonylContact O-C 3.46Å; Q238-V250 WeakPolarHBondContact O-CA 3.43Å; Q238-V251 HydrophobicContact CB-CB 4.45Å; Q238-V251 PolarHBondContact N-O 2.95Å; Q238-V251 PolarHBondContact O-N 3.46Å
239	K	95.6	Very high	93.4	Very high	91 Å²	91	55.7 Å²	55.7	40%	0.396	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	138.9	176.8	-63.5	177.9	-177.5	172.1	0	110.5	S241 Q242 K243 L246 V250	K239-S241 PolarHBondContact O-N 2.92Å; K239-Q242 WeakPolarHBondContact O-CB 3.38Å; K239-Q242 PolarHBondContact O-N 3.1Å; K239-K243 PolarHBondContact O-N 3.44Å; K239-L246 VanDerWaalsContact C-CD1 3.41Å; K239-V250 HydrophobicContact CG-CG1 4.27Å; K239-V250 HydrophobicContact CG-CG2 4.33Å
240	R	90.8	Very high	93.3	Very high	63 Å²	63	55.7 Å²	55.7	24%	0.238	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-29.9	-178.7	-172.9	178.6	-73.5	169.3	3.1	112.4	Q242 K243 L246 C248 E249	R240-Q242 PolarHBondContact O-N 2.92Å; R240-Q242 VanDerWaalsContact O-N 3.08Å; R240-K243 WeakPolarHBondContact CA-O 3.4Å; R240-K243 CarbonylContact O-C 3.53Å; R240-K243 VanDerWaalsContact O-C 3.26Å; R240-K243 PolarHBondContact O-N 3.47Å; R240-K243 VanDerWaalsContact O-N 3.12Å; R240-K243 VanDerWaalsContact O-O 3.13Å; R240-L246 PolarHBondContact NE-O 3.05Å; R240-L246 PolarHBondContact NH2-O 3.38Å; R240-C248 PolarHBondContact NE-O 2.55Å; R240-C248 PolarHBondContact NH2-O 2.88Å; R240-E249 IonicContact CZ-OE1 2.9Å; R240-E249 PolarHBondContact N-O 3.35Å; R240-E249 IonicContact NE-OE1 2.65Å; R240-E249 IonicContact NH1-OE1 2.76Å; R240-E249 PolarHBondContact NH1-OE1 3.45Å
241	S	86.7	Confident	93.3	Very high	106 Å²	106	55.9 Å²	55.9	74%	0.741	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-18.2	172.7	62.4	0	0	0	0	114.3	K239	K239-S241 PolarHBondContact O-N 2.92Å
242	Q	85	Confident	93.3	Very high	147 Å²	147	55.9 Å²	55.9	69%	0.687	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	-20.6	178.6	-62.9	166.7	-32.6	0	0	112.1	K239 R240	K239-Q242 WeakPolarHBondContact O-CB 3.38Å; K239-Q242 PolarHBondContact O-N 3.1Å; R240-Q242 PolarHBondContact O-N 2.92Å; R240-Q242 VanDerWaalsContact O-N 3.08Å
243	K	83.2	Confident	93.3	Very high	99 Å²	99	57.2 Å²	57.2	43%	0.43	30%	0.3	S	S	.	.			trans	-147.8	107.8	-175.9	-175.9	171.1	171.4	-173.3	0	110.1	K239 R240 S245 L246	K239-K243 PolarHBondContact O-N 3.44Å; R240-K243 WeakPolarHBondContact CA-O 3.4Å; R240-K243 CarbonylContact O-C 3.53Å; R240-K243 VanDerWaalsContact O-C 3.26Å; R240-K243 PolarHBondContact O-N 3.47Å; R240-K243 VanDerWaalsContact O-N 3.12Å; R240-K243 VanDerWaalsContact O-O 3.13Å; K243-S245 PolarHBondContact O-N 2.96Å; K243-L246 HydrophobicContact CB-CD1 4.49Å; K243-L246 HydrophobicContact CB-CG 4.25Å; K243-L246 HydrophobicContact CD-CD2 3.93Å; K243-L246 HydrophobicContact CD-CG 4.49Å; K243-L246 HydrophobicContact CG-CD2 4.27Å; K243-L246 HydrophobicContact CG-CG 4.35Å
244	N	72.3	Confident	93.3	Very high	156 Å²	156	53.4 Å²	53.4	83%	0.834	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-5.7	-170.1	-73.2	-18.1	0	0	0	115.4
245	S	86.8	Confident	93.3	Very high	98 Å²	98	58 Å²	58	69%	0.685	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.2	20.3	-172.4	58.4	0	0	0	0	115.4	K243	K243-S245 PolarHBondContact O-N 2.96Å
246	L	93.9	Very high	93.2	Very high	15 Å²	15	56.1 Å²	56.1	8%	0.079	29%	0.294	C	S	.	.			trans	-79.4	143.2	-178.4	-64.6	-177.4	0	0	0	113.7	Q238 K239 R240 K243 C248 V251	Q238-L246 HydrophobicContact CB-CD1 3.61Å; Q238-L246 HydrophobicContact CB-CD2 4.1Å; Q238-L246 WeakPolarHBondContact O-CD1 3.34Å; K239-L246 VanDerWaalsContact C-CD1 3.41Å; R240-L246 PolarHBondContact NE-O 3.05Å; R240-L246 PolarHBondContact NH2-O 3.38Å; K243-L246 HydrophobicContact CB-CD1 4.49Å; K243-L246 HydrophobicContact CB-CG 4.25Å; K243-L246 HydrophobicContact CD-CD2 3.93Å; K243-L246 HydrophobicContact CD-CG 4.49Å; K243-L246 HydrophobicContact CG-CD2 4.27Å; K243-L246 HydrophobicContact CG-CG 4.35Å; L246-C248 WeakPolarHBondContact CB-O 3.39Å; L246-C248 PolarHBondContact O-N 3.11Å; L246-V251 HydrophobicContact CB-CG2 4.04Å; L246-V251 HydrophobicContact CD1-CG2 4.18Å; L246-V251 HydrophobicContact CD2-CG2 4.16Å; L246-V251 HydrophobicContact CG-CG2 4.36Å
247	P	93.8	Very high	93.2	Very high	46 Å²	46	55.1 Å²	55.1	30%	0.299	29%	0.29	S	S	.	.	S	Bend	trans	-64.6	-21.7	178.9	25.9	-35.5	0	0	0	114.1	R164 Y190 C201 V251	R164-P247 PolarHBondContact NH1-O 3.11Å; Y190-P247 HydrophobicContact CD2-CB 4.18Å; Y190-P247 HydrophobicContact CD2-CG 4.21Å; Y190-P247 HydrophobicContact CE2-CB 4.19Å; Y190-P247 HydrophobicContact CE2-CG 3.72Å; C201-P247 HydrophobicContact CB-CG 4.42Å; P247-V251 HydrophobicContact CG-CG2 3.87Å
248	C	96	Very high	93.1	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	31%	0.307	C	S	.	.	S	Bend	trans	-135.2	172.5	174.8	-72.1	0	0	0	0	111.1	R164 N198 S200 C201 R240 L246 V250	R164-C248 PolarHBondContact NH1-SG 3.45Å; R164-C248 VanDerWaalsContact NH1-SG 3.45Å; N198-C248 CarbonylContact O-C 3.5Å; N198-C248 WeakPolarHBondContact O-CA 3.41Å; N198-C248 WeakPolarHBondContact O-CB 3.34Å; S200-C248 PolarHBondContact O-SG 3.33Å; C201-C248 VanDerWaalsContact CA-SG 3.53Å; C201-C248 HydrophobicContact CB-CB 3.52Å; C201-C248 WeakPolarHBondContact CB-SG 3.3Å; C201-C248 PolarHBondContact N-SG 3.38Å; C201-C248 WeakPolarHBondContact SG-CB 3.31Å; C201-C248 CovalentContact SG-SG 2.03Å; C201-C248 PolarHBondContact SG-SG 3.23Å; R240-C248 PolarHBondContact NE-O 2.55Å; R240-C248 PolarHBondContact NH2-O 2.88Å; L246-C248 WeakPolarHBondContact CB-O 3.39Å; L246-C248 PolarHBondContact O-N 3.11Å; C248-V250 WeakPolarHBondContact CB-O 3.22Å; C248-V250 PolarHBondContact O-N 3.15Å
249	E	95.6	Very high	93	Very high	70 Å²	70	62.5 Å²	62.5	33%	0.327	33%	0.325	S	S	.	.	S	Bend	trans	-59.9	-36.5	172.1	-63.5	-52	131.8	0	0	112.4	N198 R240	N198-E249 PolarHBondContact O-N 3.14Å; R240-E249 IonicContact CZ-OE1 2.9Å; R240-E249 PolarHBondContact N-O 3.35Å; R240-E249 IonicContact NE-OE1 2.65Å; R240-E249 IonicContact NH1-OE1 2.76Å; R240-E249 PolarHBondContact NH1-OE1 3.45Å
250	V	96.4	Very high	92.9	Very high	5 Å²	5	63.2 Å²	63.2	3%	0.03	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	136.6	172.2	-168.3	0	0	0	0	109.1	Q199 S200 C201 I237 Q238 K239 C248 Y252	Q199-V250 PolarHBondContact O-N 2.84Å; S200-V250 WeakPolarHBondContact CA-O 3.39Å; C201-V250 PolarHBondContact N-O 3.22Å; I237-V250 HydrophobicContact CG2-CG1 3.72Å; Q238-V250 CarbonylContact O-C 3.46Å; Q238-V250 WeakPolarHBondContact O-CA 3.43Å; K239-V250 HydrophobicContact CG-CG1 4.27Å; K239-V250 HydrophobicContact CG-CG2 4.33Å; C248-V250 WeakPolarHBondContact CB-O 3.22Å; C248-V250 PolarHBondContact O-N 3.15Å; V250-Y252 HydrophobicContact CB-CE2 3.95Å; V250-Y252 HydrophobicContact CG1-CD2 4.27Å; V250-Y252 HydrophobicContact CG1-CE1 4.07Å; V250-Y252 HydrophobicContact CG1-CE2 3.63Å
251	V	97.7	Very high	93.1	Very high	6 Å²	6	63 Å²	63	4%	0.036	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	128.8	172.8	-175.7	0	0	0	0	108.2	C201 I237 Q238 L246 P247	C201-V251 HydrophobicContact CB-CG1 4.38Å; C201-V251 HydrophobicContact CB-CG2 4.06Å; C201-V251 CarbonylContact O-C 3.39Å; C201-V251 WeakPolarHBondContact O-CA 3.44Å; I237-V251 CarbonylContact C-O 3.26Å; I237-V251 WeakPolarHBondContact CA-O 3.15Å; Q238-V251 HydrophobicContact CB-CB 4.45Å; Q238-V251 PolarHBondContact N-O 2.95Å; Q238-V251 PolarHBondContact O-N 3.46Å; L246-V251 HydrophobicContact CB-CG2 4.04Å; L246-V251 HydrophobicContact CD1-CG2 4.18Å; L246-V251 HydrophobicContact CD2-CG2 4.16Å; L246-V251 HydrophobicContact CG-CG2 4.36Å; P247-V251 HydrophobicContact CG-CG2 3.87Å
252	Y	98.4	Very high	93.5	Very high	7 Å²	7	59.5 Å²	59.5	3%	0.027	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	132.8	174.9	-53.8	-97.3	0	0	0	108.6	F169 T171 C201 F202 E203 I237 V250	F169-Y252 HydrophobicContact CB-CE2 4.47Å; F169-Y252 PolarHBondContact O-OH 3.49Å; T171-Y252 HydrophobicContact CG2-CD1 3.99Å; T171-Y252 HydrophobicContact CG2-CE1 3.92Å; C201-Y252 PolarHBondContact O-N 3.02Å; F202-Y252 WeakPolarHBondContact CA-O 3.09Å; F202-Y252 HydrophobicContact CD1-CD2 4.03Å; F202-Y252 HydrophobicContact CD1-CG 4.1Å; F202-Y252 AromaticContact CE1-CD2 3.62Å; F202-Y252 HydrophobicContact CE1-CD2 3.62Å; F202-Y252 HydrophobicContact CE1-CE2 4.38Å; F202-Y252 AromaticContact CE1-CG 3.78Å; F202-Y252 HydrophobicContact CE1-CG 3.78Å; F202-Y252 HydrophobicContact CE2-CD2 4.46Å; F202-Y252 AromaticContact CZ-CD2 3.87Å; F202-Y252 HydrophobicContact CZ-CD2 3.87Å; F202-Y252 HydrophobicContact CZ-CE2 4.26Å; F202-Y252 HydrophobicContact CZ-CG 4.45Å; E203-Y252 PolarHBondContact N-O 3.35Å; I237-Y252 HydrophobicContact CD1-CD1 4.17Å; I237-Y252 HydrophobicContact CD1-CE1 4.27Å; I237-Y252 HydrophobicContact CG1-CD1 3.95Å; I237-Y252 HydrophobicContact CG1-CE1 4.42Å; I237-Y252 HydrophobicContact CG2-CD1 4.11Å; I237-Y252 HydrophobicContact CG2-CE1 4.04Å; V250-Y252 HydrophobicContact CB-CE2 3.95Å; V250-Y252 HydrophobicContact CG1-CD2 4.27Å; V250-Y252 HydrophobicContact CG1-CE1 4.07Å; V250-Y252 HydrophobicContact CG1-CE2 3.63Å
253	N	98.6	Very high	94	Very high	29 Å²	29	56.6 Å²	56.6	16%	0.155	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	122.4	170	-69.1	49.2	0	0	0	107.9	E203 T235 D236	E203-N253 WeakPolarHBondContact O-CA 3.48Å; E203-N253 PolarHBondContact OE2-ND2 2.68Å; T235-N253 PolarHBondContact N-O 3.1Å; T235-N253 WeakPolarHBondContact OG1-CB 3.44Å; T235-N253 PolarHBondContact OG1-O 3.33Å; D236-N253 HydrophobicContact CB-CB 3.97Å; D236-N253 PolarHBondContact O-N 3.31Å
254	L	98.8	Very high	94.5	Very high	3 Å²	3	53 Å²	53	2%	0.016	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	130.6	-177.6	-58.9	-171.8	0	0	0	109.1	V177 F179 F202 E203 I204 I205 F232 K233 V234	V177-L254 HydrophobicContact CG2-CD2 4.18Å; F179-L254 HydrophobicContact CE1-CD1 4.27Å; F179-L254 HydrophobicContact CE2-CD1 4.13Å; F179-L254 HydrophobicContact CZ-CD1 3.54Å; F202-L254 HydrophobicContact CD1-CD1 3.71Å; F202-L254 HydrophobicContact CD1-CG 4.12Å; F202-L254 HydrophobicContact CE1-CD1 4.24Å; E203-L254 PolarHBondContact O-N 3.09Å; I204-L254 WeakPolarHBondContact CA-O 3.45Å; I204-L254 HydrophobicContact CG1-CB 4.45Å; I204-L254 HydrophobicContact CG1-CD1 4.37Å; I204-L254 HydrophobicContact CG2-CB 4.31Å; I205-L254 PolarHBondContact N-O 3.36Å; F232-L254 HydrophobicContact CB-CB 4.08Å; F232-L254 HydrophobicContact CB-CD1 4.44Å; F232-L254 HydrophobicContact CD1-CB 4.17Å; F232-L254 HydrophobicContact CG-CB 4.29Å; K233-L254 WeakPolarHBondContact O-CA 3.36Å; V234-L254 HydrophobicContact CB-CD2 4.22Å; V234-L254 HydrophobicContact CG1-CD2 4.36Å; V234-L254 HydrophobicContact CG2-CD2 3.73Å
255	E	98.5	Very high	95.7	Very high	97 Å²	97	49 Å²	49	45%	0.453	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	127.5	174.7	-171	175.1	179.8	0	0	109.4	I205 F232 K233 T235 T257	I205-E255 HydrophobicContact CB-CG 4.42Å; I205-E255 HydrophobicContact CD1-CG 4.32Å; F232-E255 CarbonylContact C-O 3.56Å; F232-E255 WeakPolarHBondContact CA-O 3.2Å; K233-E255 PolarHBondContact N-O 3.41Å; K233-E255 PolarHBondContact O-N 3.28Å; T235-E255 HydrophobicContact CG2-CB 3.72Å; E255-T257 PolarHBondContact O-N 3.25Å
256	S	97.9	Very high	96	Very high	14 Å²	14	44.5 Å²	44.5	10%	0.098	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58	134.5	175.5	-175.6	0	0	0	0	110.2	I205 C207 E230 N258	I205-S256 VanDerWaalsContact O-CB 3.24Å; I205-S256 WeakPolarHBondContact O-CB 3.45Å; I205-S256 PolarHBondContact O-N 3.3Å; C207-S256 WeakPolarHBondContact SG-CB 3.45Å; C207-S256 PolarHBondContact SG-OG 2.99Å; E230-S256 WeakPolarHBondContact OE1-CB 3.28Å; E230-S256 PolarHBondContact OE1-OG 2.84Å; S256-N258 PolarHBondContact O-N 3.07Å; S256-N258 PolarHBondContact OG-N 3.1Å
257	T	97.2	Very high	95.9	Very high	34 Å²	34	44.8 Å²	44.8	21%	0.209	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-0.7	172.9	62.3	0	0	0	0	112.3	E176 V231 K233 E255 K259	E176-T257 HydrophobicContact CG-CG2 4.47Å; V231-T257 WeakPolarHBondContact CB-OG1 3.44Å; V231-T257 HydrophobicContact CG1-CG2 4.08Å; V231-T257 PolarHBondContact O-N 3.42Å; V231-T257 PolarHBondContact O-OG1 3.47Å; K233-T257 HydrophobicContact CB-CG2 4.12Å; E255-T257 PolarHBondContact O-N 3.25Å; T257-K259 PolarHBondContact O-N 3.06Å; T257-K259 PolarHBondContact OG1-N 3.34Å
258	N	94.6	Very high	95.8	Very high	93 Å²	93	43.7 Å²	43.7	50%	0.497	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	56.3	22.2	-169.1	-160.7	30.4	0	0	0	113.4	A155 S256	A155-N258 WeakPolarHBondContact CB-OD1 3.25Å; S256-N258 PolarHBondContact O-N 3.07Å; S256-N258 PolarHBondContact OG-N 3.1Å
259	K	94.9	Very high	95.4	Very high	134 Å²	134	45 Å²	45	58%	0.583	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-118.4	156.2	174.8	-61.3	176	-175.6	175.8	0	109.7	V231 T257	V231-K259 PolarHBondContact N-O 3.22Å; V231-K259 VanDerWaalsContact N-O 3.15Å; T257-K259 PolarHBondContact O-N 3.06Å; T257-K259 PolarHBondContact OG1-N 3.34Å
260	F	94.3	Very high	94.5	Very high	106 Å²	106	45.3 Å²	45.3	47%	0.465	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	152.9	169	62.3	-96.7	0	0	0	110	M52 Y229	M52-F260 HydrophobicContact CE-CB 4.25Å; M52-F260 HydrophobicContact CE-CD1 3.86Å; M52-F260 HydrophobicContact CE-CD2 4.22Å; M52-F260 HydrophobicContact CE-CE1 4.21Å; M52-F260 HydrophobicContact CE-CG 3.86Å; M52-F260 HydrophobicContact SD-CB 3.79Å; M52-F260 HydrophobicContact SD-CD1 3.94Å; M52-F260 HydrophobicContact SD-CD2 3.19Å; M52-F260 WeakPolarHBondContact SD-CD2 3.48Å; M52-F260 HydrophobicContact SD-CE1 4.31Å; M52-F260 HydrophobicContact SD-CE2 3.62Å; M52-F260 HydrophobicContact SD-CG 3.37Å; M52-F260 WeakPolarHBondContact SD-CG 3.27Å; M52-F260 HydrophobicContact SD-CZ 4.16Å; Y229-F260 HydrophobicContact CD2-CB 3.83Å; Y229-F260 HydrophobicContact CG-CB 4.45Å; Y229-F260 CarbonylContact O-C 3.56Å; Y229-F260 VanDerWaalsContact O-CA 3.23Å; Y229-F260 WeakPolarHBondContact O-CA 3.5Å
261	H	95.2	Very high	92.7	Very high	57 Å²	57	52.6 Å²	52.6	26%	0.264	27%	0.266	S	S	.	.			trans	-119.5	128.2	163.1	-175.5	59.6	0	0	0	106.6	R178 Y229 V231 E263	R178-H261 PolarHBondContact NH1-CD2 3.41Å; R178-H261 PolarHBondContact NH1-O 3.18Å; Y229-H261 WeakPolarHBondContact CA-O 3.44Å; Y229-H261 VanDerWaalsContact CB-O 3.26Å; Y229-H261 WeakPolarHBondContact CB-O 3.4Å; Y229-H261 PolarHBondContact O-N 2.88Å; V231-H261 HydrophobicContact CG2-CB 3.77Å; H261-E263 IonicContact CE1-OE1 2.68Å; H261-E263 PolarHBondContact CE1-OE1 3.11Å; H261-E263 WeakPolarHBondContact NE2-CG 3.26Å; H261-E263 IonicContact NE2-OE1 2.73Å; H261-E263 PolarHBondContact NE2-OE1 2.86Å
262	S	95	Very high	90.6	Very high	33 Å²	33	56.8 Å²	56.8	23%	0.231	30%	0.296	C	S	.	.			trans	-147.5	123.5	-178.5	-175.9	0	0	0	0	107.5	D50 L264	D50-S262 WeakPolarHBondContact O-CB 3.28Å; D50-S262 PolarHBondContact O-OG 3.33Å; S262-L264 PolarHBondContact OG-O 2.99Å
263	E	94.3	Very high	88	Confident	87 Å²	87	63.2 Å²	63.2	41%	0.407	33%	0.33	S	S	.	.	S	Bend	trans	-108	-12.1	180	-66.7	-171.2	-175.2	0	0	112.5	Q46 D50 K128 H261	Q46-E263 PolarHBondContact OE1-OE1 2.8Å; D50-E263 PolarHBondContact OD1-N 3.41Å; K128-E263 HydrophobicContact CD-CB 4.3Å; K128-E263 IonicContact NZ-OE2 2.73Å; K128-E263 PolarHBondContact NZ-OE2 3.39Å; H261-E263 IonicContact CE1-OE1 2.68Å; H261-E263 PolarHBondContact CE1-OE1 3.11Å; H261-E263 WeakPolarHBondContact NE2-CG 3.26Å; H261-E263 IonicContact NE2-OE1 2.73Å; H261-E263 PolarHBondContact NE2-OE1 2.86Å
264	L	94.8	Very high	85.2	Confident	24 Å²	24	72 Å²	72	13%	0.126	38%	0.376	C	S	.	.			trans	-103.4	136.3	165.4	-65	175.5	0	0	0	109	V49 D50 D51 K128 Y131 S262	V49-L264 HydrophobicContact CB-CD1 4.3Å; V49-L264 HydrophobicContact CG1-CD1 3.93Å; V49-L264 HydrophobicContact CG2-CD1 4.42Å; D50-L264 PolarHBondContact OD1-N 3.14Å; D51-L264 WeakPolarHBondContact CA-O 3.42Å; D51-L264 HydrophobicContact CB-CB 3.94Å; K128-L264 HydrophobicContact CG-CD1 3.95Å; K128-L264 HydrophobicContact CG-CD2 4.29Å; K128-L264 HydrophobicContact CG-CG 3.99Å; Y131-L264 HydrophobicContact CD1-CD1 4.26Å; Y131-L264 HydrophobicContact CD1-CD2 4.46Å; Y131-L264 HydrophobicContact CD2-CD1 3.71Å; Y131-L264 HydrophobicContact CE2-CD1 4.12Å; Y131-L264 HydrophobicContact CG-CD1 3.79Å; S262-L264 PolarHBondContact OG-O 2.99Å
265	N	96.2	Very high	84.6	Confident	70 Å²	70	75.4 Å²	75.4	37%	0.374	39%	0.394	S	S	.	.	S	Bend	trans	-144.5	119.9	165.7	-172.9	65.6	0	0	0	108.8	D51 N54 A267	D51-N265 VanDerWaalsContact OD1-CA 3.31Å; D51-N265 WeakPolarHBondContact OD1-CA 3.33Å; N54-N265 PolarHBondContact N-OD1 2.83Å; N54-N265 PolarHBondContact O-ND2 3.46Å; N265-A267 PolarHBondContact O-N 3.28Å; N265-A267 VanDerWaalsContact O-N 3.08Å
266	C	95.1	Very high	83.8	Confident	4 Å²	4	74.3 Å²	74.3	3%	0.027	39%	0.391	C	S	.	.	S	Bend	trans	59.3	23.5	170.8	-55.6	0	0	0	0	115.2	D51 C56 L268 T269 D270	D51-C266 PolarHBondContact OD1-N 2.87Å; D51-C266 VanDerWaalsContact OD1-N 3.11Å; D51-C266 PolarHBondContact OD2-N 3.32Å; C56-C266 HydrophobicContact CB-CB 3.61Å; C56-C266 WeakPolarHBondContact CB-SG 3.44Å; C56-C266 VanDerWaalsContact SG-CA 3.52Å; C56-C266 WeakPolarHBondContact SG-CB 3.45Å; C56-C266 CovalentContact SG-SG 2.01Å; C56-C266 PolarHBondContact SG-SG 3.06Å; C266-L268 PolarHBondContact O-N 2.77Å; C266-T269 PolarHBondContact O-N 3.49Å; C266-T269 PolarHBondContact O-OG1 3.01Å; C266-D270 PolarHBondContact O-N 3.03Å; C266-D270 VanDerWaalsContact O-N 3.07Å
267	A	91.8	Very high	83.1	Confident	22 Å²	22	77.6 Å²	77.6	18%	0.182	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-18.4	-165.6	0	0	0	0	0	115.2	Y131 M132 N265	Y131-A267 HydrophobicContact CD1-CB 4Å; Y131-A267 HydrophobicContact CE1-CB 3.75Å; M132-A267 WeakPolarHBondContact CE-O 3.43Å; M132-A267 HydrophobicContact SD-CB 4.41Å; N265-A267 PolarHBondContact O-N 3.28Å; N265-A267 VanDerWaalsContact O-N 3.08Å
268	L	90.2	Very high	82.2	Confident	23 Å²	23	80.2 Å²	80.2	12%	0.12	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-12.4	173.2	-74.3	-178.4	0	0	0	113.8	M60 E63 W67 Y131 M132 H138 C266	M60-L268 HydrophobicContact CE-CB 3.56Å; M60-L268 HydrophobicContact CE-CD1 3.51Å; M60-L268 HydrophobicContact CE-CG 4.15Å; M60-L268 HydrophobicContact SD-CB 3.94Å; M60-L268 HydrophobicContact SD-CD1 4.42Å; E63-L268 HydrophobicContact CG-CB 4.27Å; W67-L268 HydrophobicContact CZ2-CD2 3.88Å; Y131-L268 HydrophobicContact CE1-CG 4.1Å; M132-L268 HydrophobicContact CE-CD2 4.06Å; M132-L268 HydrophobicContact SD-CD2 3.84Å; H138-L268 HydrophobicContact CB-CD1 3.8Å; H138-L268 WeakPolarHBondContact CD2-CD1 3.4Å; C266-L268 PolarHBondContact O-N 2.77Å
269	T	87.4	Confident	81.4	Confident	28 Å²	28	79.4 Å²	79.4	17%	0.172	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119	-4.4	-176	58.2	0	0	0	0	113	K59 M60 E63 C266 E271	K59-T269 HydrophobicContact CB-CG2 4.12Å; M60-T269 HydrophobicContact CB-CG2 4.37Å; M60-T269 HydrophobicContact CE-CG2 4.22Å; M60-T269 HydrophobicContact SD-CG2 4.01Å; E63-T269 HydrophobicContact CB-CG2 3.99Å; E63-T269 HydrophobicContact CG-CG2 4.35Å; C266-T269 PolarHBondContact O-N 3.49Å; C266-T269 PolarHBondContact O-OG1 3.01Å; T269-E271 PolarHBondContact O-N 3.27Å
270	D	78.1	Confident	80.6	Confident	75 Å²	75	75.7 Å²	75.7	40%	0.401	40%	0.403	S	S	.	.			trans	-73.5	113.4	174.3	-87.8	-16.8	0	0	0	109.7	C266 S272	C266-D270 PolarHBondContact O-N 3.03Å; C266-D270 VanDerWaalsContact O-N 3.07Å; D270-S272 PolarHBondContact O-N 3.27Å
271	E	57.5	Low	79.6	Confident	158 Å²	158	73.6 Å²	73.6	74%	0.738	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-72	-3.1	179.1	-64.6	-177.7	-174.6	0	0	113	T269 D273	T269-E271 PolarHBondContact O-N 3.27Å; E271-D273 VanDerWaalsContact C-N 3.3Å; E271-D273 PolarHBondContact O-N 3.46Å
272	S	54.4	Low	78.4	Confident	95 Å²	95	74.8 Å²	74.8	66%	0.664	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-76.8	-11.8	-179.4	53.9	0	0	0	0	114.7	D270	D270-S272 PolarHBondContact O-N 3.27Å
273	D	43.7	Very low	77	Confident	141 Å²	141	78.3 Å²	78.3	75%	0.754	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-120.9	16.3	-177.8	-71.5	-34.6	0	0	0	113.6	E271	E271-D273 VanDerWaalsContact C-N 3.3Å; E271-D273 PolarHBondContact O-N 3.46Å
274	L	40.4	Very low	75.4	Confident	213 Å²	213	77.5 Å²	77.5	100%	1.115	43%	0.425	S	S	*	.			trans	-98.4	0	171.6	-89.5	164.7	0	0	0	112.6

Retrieved 274 of 274 residues in 334 ms (Link to these results)

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