A0A077Z0Y3_TRITR Loading...

Pou and Homeobox KN domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z0Y3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 468 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	29	Very low	30.5	Very low	110 Å²	110	108.3 Å²	108.3	54%	0.542	60%	0.601	S	S	.	*				0	107.1	0	-172.4	-177.9	-157.6	0	0	107.6	L31 L49 V51	M1-L31 HydrophobicContact SD-CD2 3.88Å; M1-L49 HydrophobicContact CE-CD2 3.8Å; M1-V51 HydrophobicContact CE-CG2 3.89Å
2	I	28	Very low	30.4	Very low	116 Å²	116	114.7 Å²	114.7	60%	0.595	62%	0.623	S	S	*	*			trans	-92.7	132.9	-178.9	-58.5	173.7	0	0	0	108.3	D4	I2-D4 WeakPolarHBondContact CG2-OD1 3.43Å
3	I	32.2	Very low	30.3	Very low	41 Å²	41	121.1 Å²	121.1	21%	0.21	64%	0.641	C	S	.	*			trans	-112.8	89.8	-178.8	-57.2	178.8	0	0	0	108.7	L5 L23 V33	I3-L5 PolarHBondContact O-N 3.1Å; I3-L23 HydrophobicContact CD1-CD2 4.5Å; I3-V33 HydrophobicContact CD1-CG1 4.27Å; I3-V33 HydrophobicContact CD1-CG2 4.19Å
4	D	31.4	Very low	30.2	Very low	61 Å²	61	122.1 Å²	122.1	33%	0.326	65%	0.646	S	S	.	*			trans	-74.7	108.7	178.1	-57.4	-42	0	0	0	110.8	I2 V6 R50	I2-D4 WeakPolarHBondContact CG2-OD1 3.43Å; D4-V6 VanDerWaalsContact C-N 3.32Å; D4-V6 HydrophobicContact CB-CG2 4Å; D4-V6 PolarHBondContact O-N 3.48Å; D4-R50 IonicContact OD2-CZ 3.65Å; D4-R50 IonicContact OD2-NH1 2.72Å; D4-R50 PolarHBondContact OD2-NH1 3.31Å
5	L	34.6	Very low	30.1	Very low	97 Å²	97	121 Å²	121	51%	0.508	66%	0.661	S	S	.	*			trans	-80.9	73.5	174.6	-77.9	171.2	0	0	0	111.8	I3 G7 L47	I3-L5 PolarHBondContact O-N 3.1Å; L5-G7 PolarHBondContact O-N 3.48Å; L5-G7 VanDerWaalsContact O-N 3.08Å; L5-L47 HydrophobicContact CD2-CG 4.39Å
6	V	31.9	Very low	30.2	Very low	108 Å²	108	119.8 Å²	119.8	66%	0.655	66%	0.664	S	S	*	*			trans	-80.6	86.4	-179.3	-172.6	0	0	0	0	111.9	D4	D4-V6 VanDerWaalsContact C-N 3.32Å; D4-V6 HydrophobicContact CB-CG2 4Å; D4-V6 PolarHBondContact O-N 3.48Å
7	G	30.9	Very low	30.4	Very low	55 Å²	55	117.9 Å²	117.9	57%	0.567	66%	0.657	S	S	*	*			trans	-81.7	118.8	172.3	0	0	0	0	0	113.1	L5 T9	L5-G7 PolarHBondContact O-N 3.48Å; L5-G7 VanDerWaalsContact O-N 3.08Å; G7-T9 PolarHBondContact O-N 2.86Å
8	K	30.3	Very low	30.5	Very low	201 Å²	201	121 Å²	121	87%	0.874	67%	0.672	S	S	*	*			trans	-87.3	72.3	173.4	-77	-163.7	174	-167.2	0	112.9
9	T	30.6	Very low	30.9	Very low	116 Å²	116	118.1 Å²	118.1	71%	0.712	66%	0.661	S	S	*	*	S	Bend	trans	-162	126.1	161.4	12.4	0	0	0	0	110.3	G7 V11	G7-T9 PolarHBondContact O-N 2.86Å; T9-V11 PolarHBondContact O-N 3.38Å
10	N	29.4	Very low	31.2	Very low	155 Å²	155	121 Å²	121	83%	0.829	67%	0.666	S	S	*	*			trans	38.3	72	173	-65.2	6.3	0	0	0	115.8	E12	N10-E12 PolarHBondContact O-N 2.98Å; N10-E12 VanDerWaalsContact O-N 3.16Å
11	V	27.7	Very low	31.4	Very low	131 Å²	131	117.9 Å²	117.9	79%	0.794	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	106.9	167.7	178.9	0	0	0	0	109.2	T9	T9-V11 PolarHBondContact O-N 3.38Å
12	E	29.1	Very low	31.5	Very low	185 Å²	185	116.6 Å²	116.6	86%	0.864	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-178.1	-27	154.2	-109.6	165.4	-154.2	0	0	113.7	N10	N10-E12 PolarHBondContact O-N 2.98Å; N10-E12 VanDerWaalsContact O-N 3.16Å
13	K	28.5	Very low	31.6	Very low	198 Å²	198	115 Å²	115	86%	0.861	64%	0.643	S	S	*	*	S	Bend	trans	-111.8	7.8	-171.4	-86.6	-172.1	174.1	-179.5	0	117.8
14	L	28.7	Very low	31.7	Very low	135 Å²	135	120.3 Å²	120.3	71%	0.707	67%	0.665	S	S	*	*			trans	-109.4	10.5	-175.6	-82.8	164.6	0	0	0	115.2	S16	L14-S16 VanDerWaalsContact C-N 3.26Å; L14-S16 PolarHBondContact O-N 2.85Å
15	A	29.5	Very low	31.6	Very low	106 Å²	106	124.6 Å²	124.6	88%	0.876	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	-0.5	-175.3	0	0	0	0	0	115.6
16	S	31	Very low	31.5	Very low	101 Å²	101	124.5 Å²	124.5	71%	0.706	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.5	-6.7	-170.2	55.6	0	0	0	0	115.9	L14 N18	L14-S16 VanDerWaalsContact C-N 3.26Å; L14-S16 PolarHBondContact O-N 2.85Å; S16-N18 PolarHBondContact O-N 3.25Å
17	T	34.1	Very low	31.5	Very low	88 Å²	88	125.1 Å²	125.1	54%	0.54	69%	0.686	S	S	.	*			trans	-91.8	90.5	-170.9	48.8	0	0	0	0	113.2	S19	T17-S19 PolarHBondContact O-N 3.01Å; T17-S19 PolarHBondContact O-OG 2.98Å
18	N	32.8	Very low	31.8	Very low	174 Å²	174	129.5 Å²	129.5	93%	0.93	70%	0.696	S	S	*	*			trans	-53.1	88.5	174.5	-91.6	-31.2	0	0	0	113.2	S16	S16-N18 PolarHBondContact O-N 3.25Å
19	S	37.6	Very low	32.1	Very low	65 Å²	65	123 Å²	123	46%	0.455	69%	0.687	S	S	.	*			trans	-112.1	86.2	-171.8	-57.8	0	0	0	0	111.1	T17 V21	T17-S19 PolarHBondContact O-N 3.01Å; T17-S19 PolarHBondContact O-OG 2.98Å; S19-V21 PolarHBondContact O-N 2.99Å
20	K	35.9	Very low	32.3	Very low	177 Å²	177	122.2 Å²	122.2	77%	0.77	68%	0.678	S	S	*	*			trans	-63.7	114.9	176.5	-68.9	-175	177.8	-178.3	0	110.5
21	V	35.4	Very low	32.5	Very low	55 Å²	55	119.6 Å²	119.6	33%	0.333	66%	0.664	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-89	117.1	172.4	178	0	0	0	0	108.7	S19 V33	S19-V21 PolarHBondContact O-N 2.99Å; V21-V33 HydrophobicContact CG1-CG1 3.71Å
22	C	31.1	Very low	33	Very low	83 Å²	83	121.3 Å²	121.3	56%	0.561	66%	0.656	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-97.9	122	177.3	-64.2	0	0	0	0	110.2	V34	C22-V34 PolarHBondContact O-N 3.08Å
23	L	31.6	Very low	33.3	Very low	83 Å²	83	114.1 Å²	114.1	44%	0.435	63%	0.625	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.7	134.6	162.9	-70.8	170.4	0	0	0	108.3	I3 L31 V33	I3-L23 HydrophobicContact CD1-CD2 4.5Å; L23-L31 HydrophobicContact CD1-CD2 4.28Å; L23-L31 HydrophobicContact CD2-CD2 4.12Å; L23-L31 HydrophobicContact CD2-CG 4.48Å; L23-V33 HydrophobicContact CD2-CG2 4Å
24	K	33.8	Very low	33.6	Very low	153 Å²	153	109 Å²	109	67%	0.665	61%	0.61	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-125.2	116.4	170.4	-172.6	162.3	-173	166.1	0	108.9
25	E	30.1	Very low	33.8	Very low	151 Å²	151	103.9 Å²	103.9	71%	0.706	59%	0.587	S	S	*	*			trans	-69	138.4	171.2	-174.2	160.9	-165.1	0	0	109.9
26	I	32.1	Very low	34.1	Very low	95 Å²	95	102.8 Å²	102.8	49%	0.487	57%	0.573	S	S	.	*			trans	-127.8	134.6	171.2	-58.3	178.6	0	0	0	105.8
27	T	30.9	Very low	34.3	Very low	120 Å²	120	101.1 Å²	101.1	74%	0.736	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.2	147.1	177.4	47.8	0	0	0	0	111.3
28	N	37.2	Very low	34.4	Very low	147 Å²	147	105.6 Å²	105.6	79%	0.786	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	84	20.3	-163.7	-43.9	-65.4	0	0	0	116.2	N30	N28-N30 VanDerWaalsContact C-N 3.33Å; N28-N30 PolarHBondContact O-N 3.45Å; N28-N30 PolarHBondContact O-ND2 2.87Å
29	G	37.2	Very low	34.7	Very low	66 Å²	66	106.3 Å²	106.3	68%	0.68	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	65.8	25.2	161.4	0	0	0	0	0	116.3
30	N	33.9	Very low	34.7	Very low	98 Å²	98	106.7 Å²	106.7	52%	0.524	56%	0.557	S	S	.	*			trans	-106.6	109	177.8	-75.7	-85.4	0	0	0	110.2	N28 W32	N28-N30 VanDerWaalsContact C-N 3.33Å; N28-N30 PolarHBondContact O-N 3.45Å; N28-N30 PolarHBondContact O-ND2 2.87Å; N30-W32 PolarHBondContact O-N 3.21Å
31	L	34.5	Very low	34.8	Very low	101 Å²	101	103.6 Å²	103.6	53%	0.529	56%	0.555	S	S	.	*			trans	-70.5	122.6	170.3	-114.8	73.7	0	0	0	110.4	M1 L23	M1-L31 HydrophobicContact SD-CD2 3.88Å; L23-L31 HydrophobicContact CD1-CD2 4.28Å; L23-L31 HydrophobicContact CD2-CD2 4.12Å; L23-L31 HydrophobicContact CD2-CG 4.48Å
32	W	37.6	Very low	34.9	Very low	167 Å²	167	111.5 Å²	111.5	63%	0.633	59%	0.585	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-110.4	126.2	169.3	-70.4	82.7	0	0	0	109.9	N30 V34	N30-W32 PolarHBondContact O-N 3.21Å; W32-V34 PolarHBondContact O-N 3.36Å
33	V	35.7	Very low	35.2	Very low	34 Å²	34	110.4 Å²	110.4	21%	0.206	58%	0.582	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.7	110.1	173.7	-176.3	0	0	0	0	108.7	I3 V21 L23 L47 L49	I3-V33 HydrophobicContact CD1-CG1 4.27Å; I3-V33 HydrophobicContact CD1-CG2 4.19Å; V21-V33 HydrophobicContact CG1-CG1 3.71Å; L23-V33 HydrophobicContact CD2-CG2 4Å; V33-L47 HydrophobicContact CB-CD2 4.18Å; V33-L47 HydrophobicContact CG1-CD2 3.89Å; V33-L49 HydrophobicContact CG2-CD1 4.33Å; V33-L49 HydrophobicContact CG2-CD2 3.94Å; V33-L49 HydrophobicContact CG2-CG 4.43Å
34	V	34.2	Very low	35.5	Very low	90 Å²	90	112.1 Å²	112.1	55%	0.545	59%	0.591	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.9	88.4	174.3	-174.5	0	0	0	0	108.7	C22 W32 S36	C22-V34 PolarHBondContact O-N 3.08Å; W32-V34 PolarHBondContact O-N 3.36Å; V34-S36 PolarHBondContact O-N 2.84Å
35	A	34.2	Very low	35.6	Very low	27 Å²	27	107.2 Å²	107.2	22%	0.223	57%	0.572	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-78.9	116.9	173.3	0	0	0	0	0	110.1	L37	A35-L37 VanDerWaalsContact C-N 3.3Å; A35-L37 HydrophobicContact CB-CD1 4.38Å; A35-L37 HydrophobicContact CB-CD2 4.09Å; A35-L37 HydrophobicContact CB-CG 3.92Å; A35-L37 PolarHBondContact O-N 3.43Å
36	S	34.5	Very low	35.9	Very low	83 Å²	83	105.1 Å²	105.1	58%	0.58	56%	0.561	S	S	*	*			trans	-80.5	79.3	173.4	-162.1	0	0	0	0	110.1	V34 R38	V34-S36 PolarHBondContact O-N 2.84Å; S36-R38 PolarHBondContact O-N 3.01Å; S36-R38 VanDerWaalsContact O-N 3.15Å
37	L	36.6	Very low	36	Very low	66 Å²	66	101.7 Å²	101.7	35%	0.346	54%	0.544	S	S	.	.			trans	-80.2	93.1	-175.4	-61.9	170.3	0	0	0	110.8	A35 I40 L45	A35-L37 VanDerWaalsContact C-N 3.3Å; A35-L37 HydrophobicContact CB-CD1 4.38Å; A35-L37 HydrophobicContact CB-CD2 4.09Å; A35-L37 HydrophobicContact CB-CG 3.92Å; A35-L37 PolarHBondContact O-N 3.43Å; L37-I40 HydrophobicContact CB-CD1 4.47Å; L37-I40 HydrophobicContact CD2-CD1 3.94Å; L37-L45 HydrophobicContact CD1-CD1 3.88Å
38	R	36.2	Very low	36.3	Very low	182 Å²	182	97.5 Å²	97.5	69%	0.687	52%	0.519	S	S	*	.			trans	-73.8	131.4	168.8	-66.8	-175.6	178.2	-172.3	-1.1	110	S36 I40 L369	S36-R38 PolarHBondContact O-N 3.01Å; S36-R38 VanDerWaalsContact O-N 3.15Å; R38-I40 PolarHBondContact O-N 3.45Å; R38-L369 VanDerWaalsContact NH1-CD1 3.34Å; R38-L369 VanDerWaalsContact NH2-CD1 3.34Å
39	Q	38.6	Very low	36.1	Very low	189 Å²	189	93 Å²	93	88%	0.883	50%	0.495	S	S	*	.			trans	40.4	68.7	167.7	-65.8	-174.2	-9.7	0	0	116.2
40	I	36.9	Very low	36	Very low	73 Å²	73	95.6 Å²	95.6	37%	0.374	48%	0.484	S	S	.	.			trans	-105.6	115.4	162.6	-60.2	-177.8	0	0	0	108.3	L37 R38 L45	L37-I40 HydrophobicContact CB-CD1 4.47Å; L37-I40 HydrophobicContact CD2-CD1 3.94Å; R38-I40 PolarHBondContact O-N 3.45Å; I40-L45 HydrophobicContact CB-CD1 4.47Å; I40-L45 HydrophobicContact CD1-CD1 4.03Å; I40-L45 HydrophobicContact CD1-CD2 4Å; I40-L45 HydrophobicContact CG2-CD1 4.19Å
41	P	38.4	Very low	36	Very low	112 Å²	112	95.1 Å²	95.1	73%	0.727	48%	0.484	S	S	*	.			trans	-64.4	143.6	176.8	28.1	-34.3	0	0	0	110.1	A43	P41-A43 VanDerWaalsContact O-CB 3.27Å; P41-A43 WeakPolarHBondContact O-CB 3.45Å; P41-A43 PolarHBondContact O-N 3.49Å
42	K	37.8	Very low	35.9	Very low	221 Å²	221	95.4 Å²	95.4	96%	0.961	48%	0.483	S	S	*	.	S	Bend	trans	-35.5	86.9	-169.7	-64.3	177.9	179.7	176.3	0	114.7
43	A	37.3	Very low	35.6	Very low	61 Å²	61	90.3 Å²	90.3	50%	0.504	48%	0.483	S	S	.	.			trans	-133.9	147.1	-177.7	0	0	0	0	0	110.7	P41 L45	P41-A43 VanDerWaalsContact O-CB 3.27Å; P41-A43 WeakPolarHBondContact O-CB 3.45Å; P41-A43 PolarHBondContact O-N 3.49Å; A43-L45 PolarHBondContact O-N 2.85Å
44	N	37.4	Very low	35.2	Very low	118 Å²	118	97.9 Å²	97.9	63%	0.631	51%	0.509	S	S	*	.			trans	-72.7	90.7	-177.2	-70.8	-68.2	0	0	0	111.1	F46	N44-F46 HydrophobicContact CB-CE2 4.07Å; N44-F46 WeakPolarHBondContact O-CD2 3.34Å; N44-F46 PolarHBondContact O-N 3.14Å
45	L	36.8	Very low	35.1	Very low	51 Å²	51	103.1 Å²	103.1	27%	0.267	52%	0.519	S	S	.	.			trans	-74.1	120.1	177.7	-77.2	158	0	0	0	111.5	L37 I40 A43	L37-L45 HydrophobicContact CD1-CD1 3.88Å; I40-L45 HydrophobicContact CB-CD1 4.47Å; I40-L45 HydrophobicContact CD1-CD1 4.03Å; I40-L45 HydrophobicContact CD1-CD2 4Å; I40-L45 HydrophobicContact CG2-CD1 4.19Å; A43-L45 PolarHBondContact O-N 2.85Å
46	F	36.3	Very low	34.8	Very low	106 Å²	106	105 Å²	105	47%	0.465	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	111.1	170.7	-67.1	-92.6	0	0	0	108.9	N44 S48 R68	N44-F46 HydrophobicContact CB-CE2 4.07Å; N44-F46 WeakPolarHBondContact O-CD2 3.34Å; N44-F46 PolarHBondContact O-N 3.14Å; F46-S48 PolarHBondContact O-N 3.03Å; F46-R68 HydrophobicContact CD1-CB 4.5Å; F46-R68 HydrophobicContact CD1-CG 4.47Å; F46-R68 HydrophobicContact CE1-CB 4.16Å; F46-R68 HydrophobicContact CE1-CG 3.94Å; F46-R68 HydrophobicContact CZ-CG 4.32Å
47	L	34.8	Very low	34.6	Very low	24 Å²	24	112.4 Å²	112.4	13%	0.126	56%	0.558	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-77.4	119.5	161.6	-95	76.8	0	0	0	108.3	L5 V33 F69	L5-L47 HydrophobicContact CD2-CG 4.39Å; V33-L47 HydrophobicContact CB-CD2 4.18Å; V33-L47 HydrophobicContact CG1-CD2 3.89Å; L47-F69 HydrophobicContact CB-CD2 4.23Å; L47-F69 HydrophobicContact CB-CE2 4.1Å
48	S	35.5	Very low	34.3	Very low	31 Å²	31	113.5 Å²	113.5	22%	0.217	59%	0.585	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.3	117.4	161.9	-159.7	0	0	0	0	108.6	F46 E64	F46-S48 PolarHBondContact O-N 3.03Å; S48-E64 PolarHBondContact OG-OE1 3.37Å
49	L	33.2	Very low	33.8	Very low	53 Å²	53	112.6 Å²	112.6	28%	0.277	59%	0.588	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.9	98.7	178.2	-104	161.5	0	0	0	108.9	M1 V33 V51	M1-L49 HydrophobicContact CE-CD2 3.8Å; V33-L49 HydrophobicContact CG2-CD1 4.33Å; V33-L49 HydrophobicContact CG2-CD2 3.94Å; V33-L49 HydrophobicContact CG2-CG 4.43Å; L49-V51 PolarHBondContact O-N 3.36Å
50	R	35.2	Very low	33.4	Very low	121 Å²	121	110.7 Å²	110.7	46%	0.457	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-84.5	109	178	-153.8	174.6	-164.6	159.2	2.1	109.2	D4	D4-R50 IonicContact OD2-CZ 3.65Å; D4-R50 IonicContact OD2-NH1 2.72Å; D4-R50 PolarHBondContact OD2-NH1 3.31Å
51	V	33.5	Very low	33.1	Very low	88 Å²	88	115.1 Å²	115.1	53%	0.533	60%	0.596	S	S	.	*			trans	-107.8	107.4	179.5	-170.1	0	0	0	0	108.6	M1 L49	M1-V51 HydrophobicContact CE-CG2 3.89Å; L49-V51 PolarHBondContact O-N 3.36Å
52	E	32.7	Very low	32.9	Very low	106 Å²	106	117.4 Å²	117.4	50%	0.495	59%	0.59	S	S	.	*			trans	-77.2	124.3	165.1	-71.8	-176.3	116	0	0	109.1
53	G	31.7	Very low	32.8	Very low	61 Å²	61	110.5 Å²	110.5	63%	0.629	57%	0.57	S	S	*	*			trans	-125.8	109.4	174.8	0	0	0	0	0	110.2	R55	G53-R55 PolarHBondContact O-N 2.99Å; G53-R55 VanDerWaalsContact O-N 3.17Å
54	Y	27.8	Very low	32.8	Very low	193 Å²	193	113 Å²	113	76%	0.757	57%	0.571	S	S	*	*			trans	-73.2	104.6	171.4	-77.2	-92.7	0	0	0	109.5
55	R	30.8	Very low	32.9	Very low	200 Å²	200	114.8 Å²	114.8	76%	0.755	57%	0.573	S	S	*	*			trans	-86.3	146	158.7	-171.6	172.8	-76.6	-111.6	1.4	107.7	G53	G53-R55 PolarHBondContact O-N 2.99Å; G53-R55 VanDerWaalsContact O-N 3.17Å
56	G	28.8	Very low	32.9	Very low	66 Å²	66	120.8 Å²	120.8	68%	0.68	59%	0.592	S	S	*	*	S	Bend	trans	-59.9	141.9	-169.5	0	0	0	0	0	114.2
57	Y	29.5	Very low	33	Very low	239 Å²	239	124.4 Å²	124.4	94%	0.937	60%	0.603	S	S	*	*	S	Bend	trans	56.8	102.2	175.6	-71.9	-89	0	0	0	117.1	E59	Y57-E59 PolarHBondContact O-N 3.39Å
58	G	30.2	Very low	33	Very low	89 Å²	89	130.5 Å²	130.5	92%	0.918	62%	0.624	S	S	*	*	S	Bend	trans	104.7	-57.8	148.3	0	0	0	0	0	117
59	E	27.5	Very low	32.9	Very low	162 Å²	162	133.8 Å²	133.8	76%	0.757	64%	0.635	S	S	*	*			trans	-103.1	133.3	-164.4	-69.2	-163.1	120.5	0	0	115.7	Y57	Y57-E59 PolarHBondContact O-N 3.39Å
60	K	30.2	Very low	32.9	Very low	149 Å²	149	139.1 Å²	139.1	65%	0.648	65%	0.652	S	S	*	*			trans	-91.7	92.2	169.9	-65.6	-173.1	179.4	-172.2	0	110.7
61	Q	30.3	Very low	32.6	Very low	166 Å²	166	139.8 Å²	139.8	78%	0.776	66%	0.664	S	S	*	*			trans	-89.1	143.4	166.9	-77.1	-155.7	-2.5	0	0	112.5
62	W	33.2	Very low	32.5	Very low	160 Å²	160	139.6 Å²	139.6	61%	0.606	66%	0.663	S	S	*	*			trans	-106.9	137.1	-178.1	-58	90.3	0	0	0	110.9
63	S	35.3	Very low	32.3	Very low	76 Å²	76	143.4 Å²	143.4	53%	0.531	68%	0.681	S	S	.	*			trans	-125.5	109.6	171.8	-166	0	0	0	0	110.1
64	E	37.6	Very low	32.1	Very low	113 Å²	113	143.5 Å²	143.5	53%	0.528	68%	0.682	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.9	116.2	174.6	-167.6	-178.4	-175.5	0	0	110.2	S48 R66	S48-E64 PolarHBondContact OG-OE1 3.37Å; E64-R66 VanDerWaalsContact CD-NH2 3.26Å; E64-R66 HydrophobicContact CG-CG 4.25Å; E64-R66 IonicContact OE1-CZ 3.89Å; E64-R66 VanDerWaalsContact OE1-CZ 3.24Å; E64-R66 IonicContact OE1-NE 2.7Å; E64-R66 PolarHBondContact OE1-NE 3.13Å; E64-R66 IonicContact OE1-NH2 3.13Å; E64-R66 PolarHBondContact OE1-NH2 2.84Å; E64-R66 IonicContact OE2-CZ 2.72Å; E64-R66 IonicContact OE2-NE 2.69Å; E64-R66 IonicContact OE2-NH2 2.72Å; E64-R66 PolarHBondContact OE2-NH2 2.61Å
65	K	39.7	Very low	31.9	Very low	157 Å²	157	139.2 Å²	139.2	68%	0.683	69%	0.686	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-114.8	92.2	173.8	-79.5	179.7	177.1	171.7	0	110.5
66	R	37.2	Very low	31.7	Very low	177 Å²	177	137.4 Å²	137.4	67%	0.668	68%	0.684	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-72.3	126.2	172.1	-63.3	-174.6	-176.9	157.7	12.4	110.2	E64	E64-R66 VanDerWaalsContact CD-NH2 3.26Å; E64-R66 HydrophobicContact CG-CG 4.25Å; E64-R66 IonicContact OE1-CZ 3.89Å; E64-R66 VanDerWaalsContact OE1-CZ 3.24Å; E64-R66 IonicContact OE1-NE 2.7Å; E64-R66 PolarHBondContact OE1-NE 3.13Å; E64-R66 IonicContact OE1-NH2 3.13Å; E64-R66 PolarHBondContact OE1-NH2 2.84Å; E64-R66 IonicContact OE2-CZ 2.72Å; E64-R66 IonicContact OE2-NE 2.69Å; E64-R66 IonicContact OE2-NH2 2.72Å; E64-R66 PolarHBondContact OE2-NH2 2.61Å
67	R	38.4	Very low	31.5	Very low	181 Å²	181	142.1 Å²	142.1	68%	0.683	69%	0.692	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-120.5	135.1	166.3	-77.5	-174.3	170.3	-175.1	-3.3	109.1	F69	R67-F69 HydrophobicContact CB-CD2 4.35Å; R67-F69 HydrophobicContact CB-CE2 3.67Å; R67-F69 HydrophobicContact CB-CZ 3.97Å; R67-F69 WeakPolarHBondContact O-CD2 3.15Å
68	R	35.1	Very low	31.3	Very low	153 Å²	153	133.8 Å²	133.8	58%	0.577	68%	0.678	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-86.4	125.2	173.2	-166.3	-172.9	-60	171.9	1.2	107.7	F46	F46-R68 HydrophobicContact CD1-CB 4.5Å; F46-R68 HydrophobicContact CD1-CG 4.47Å; F46-R68 HydrophobicContact CE1-CB 4.16Å; F46-R68 HydrophobicContact CE1-CG 3.94Å; F46-R68 HydrophobicContact CZ-CG 4.32Å
69	F	34	Very low	31.1	Very low	100 Å²	100	139.7 Å²	139.7	44%	0.439	68%	0.679	S	S	.	*			trans	-110.7	141.6	176.2	-66.7	-88.6	0	0	0	109.1	L47 R67	L47-F69 HydrophobicContact CB-CD2 4.23Å; L47-F69 HydrophobicContact CB-CE2 4.1Å; R67-F69 HydrophobicContact CB-CD2 4.35Å; R67-F69 HydrophobicContact CB-CE2 3.67Å; R67-F69 HydrophobicContact CB-CZ 3.97Å; R67-F69 WeakPolarHBondContact O-CD2 3.15Å
70	Y	32.2	Very low	31.2	Very low	164 Å²	164	136.7 Å²	136.7	64%	0.643	68%	0.682	S	S	*	*			trans	-103.5	125.8	172.5	-63.3	-78.2	0	0	0	108.2
71	L	29.7	Very low	30.9	Very low	135 Å²	135	135 Å²	135	71%	0.707	69%	0.689	S	S	*	*			trans	-74.6	124.8	172	-168.3	76.8	0	0	0	108.2
72	V	31.2	Very low	30.7	Very low	84 Å²	84	132.7 Å²	132.7	51%	0.509	69%	0.691	S	S	.	*			trans	-125.9	130.4	171.8	-165.8	0	0	0	0	108.7	G74 F76	V72-G74 PolarHBondContact O-N 3.27Å; V72-F76 HydrophobicContact CB-CD2 3.98Å; V72-F76 HydrophobicContact CB-CE2 3.62Å; V72-F76 HydrophobicContact CB-CZ 4.37Å; V72-F76 HydrophobicContact CG1-CD2 4.26Å; V72-F76 HydrophobicContact CG1-CE2 3.59Å; V72-F76 HydrophobicContact CG1-CZ 4.42Å; V72-F76 HydrophobicContact CG2-CD2 4.48Å; V72-F76 HydrophobicContact CG2-CE2 3.89Å; V72-F76 HydrophobicContact CG2-CZ 4.14Å
73	E	28.2	Very low	30.2	Very low	187 Å²	187	130.8 Å²	130.8	87%	0.874	70%	0.697	S	S	*	*	S	Bend	trans	-73.6	120.1	-178.3	-64.6	178.1	123.4	0	0	110.4
74	G	27	Very low	29.7	Very low	62 Å²	62	133.1 Å²	133.1	64%	0.639	71%	0.708	S	S	*	*	S	Bend	trans	87.3	116.4	173.5	0	0	0	0	0	115.6	V72	V72-G74 PolarHBondContact O-N 3.27Å
75	A	24.4	Very low	29	Very low	103 Å²	103	138.5 Å²	138.5	85%	0.851	72%	0.723	S	S	*	*			trans	44	78.8	154.8	0	0	0	0	0	117.9	I77	A75-I77 PolarHBondContact O-N 2.84Å; A75-I77 VanDerWaalsContact O-N 3.17Å
76	F	26.1	Very low	28.2	Very low	162 Å²	162	137.8 Å²	137.8	71%	0.711	73%	0.725	S	S	*	*			trans	-82.7	94.8	173.2	-113.3	-108.1	0	0	0	114.3	V72	V72-F76 HydrophobicContact CB-CD2 3.98Å; V72-F76 HydrophobicContact CB-CE2 3.62Å; V72-F76 HydrophobicContact CB-CZ 4.37Å; V72-F76 HydrophobicContact CG1-CD2 4.26Å; V72-F76 HydrophobicContact CG1-CE2 3.59Å; V72-F76 HydrophobicContact CG1-CZ 4.42Å; V72-F76 HydrophobicContact CG2-CD2 4.48Å; V72-F76 HydrophobicContact CG2-CE2 3.89Å; V72-F76 HydrophobicContact CG2-CZ 4.14Å
77	I	23.8	Very low	27.7	Very low	166 Å²	166	135 Å²	135	85%	0.851	73%	0.73	S	S	*	*			trans	-79	117.9	153.6	-63.9	171	0	0	0	107.2	A75	A75-I77 PolarHBondContact O-N 2.84Å; A75-I77 VanDerWaalsContact O-N 3.17Å
78	G	27	Very low	27.3	Very low	63 Å²	63	132.3 Å²	132.3	65%	0.649	73%	0.734	S	S	*	*			trans	-149	109.8	178.3	0	0	0	0	0	112.5
79	K	24.4	Very low	27.1	Very low	213 Å²	213	129.1 Å²	129.1	93%	0.926	74%	0.74	S	S	*	*			trans	-83.2	128.3	165.3	-73.1	-177.5	177.3	179.8	0	108.9
80	A	29.8	Very low	26.8	Very low	100 Å²	100	130.1 Å²	130.1	83%	0.826	76%	0.76	S	S	*	*			trans	-117	126.6	162.1	0	0	0	0	0	108.4
81	S	24	Very low	26.6	Very low	113 Å²	113	128.4 Å²	128.4	79%	0.79	77%	0.771	S	S	*	*			trans	-83	-179	178.7	-63.5	0	0	0	0	111.8
82	S	26.8	Very low	26.5	Very low	118 Å²	118	126 Å²	126	83%	0.825	77%	0.771	S	S	*	*			trans	78.2	121.2	-178	77.2	0	0	0	0	115.3
83	V	23	Very low	26.3	Very low	119 Å²	119	131.7 Å²	131.7	72%	0.721	79%	0.789	S	S	*	*			trans	-105.4	125.3	176.5	172.4	0	0	0	0	107.9	R85	V83-R85 HydrophobicContact CG1-CG 4.01Å
84	V	23.1	Very low	26.3	Very low	126 Å²	126	127.7 Å²	127.7	76%	0.764	78%	0.781	S	S	*	*			trans	-124.5	103.3	164.4	-178.2	0	0	0	0	107.5	I86	V84-I86 HydrophobicContact CG1-CG1 4.34Å
85	R	24.3	Very low	26.3	Very low	225 Å²	225	132.8 Å²	132.8	85%	0.849	79%	0.793	S	S	*	*			trans	-85.7	128.6	171.9	-72.9	-177.1	175.1	124.2	-5.3	108.8	V83	V83-R85 HydrophobicContact CG1-CG 4.01Å
86	I	22.9	Very low	26.5	Very low	142 Å²	142	132.3 Å²	132.3	73%	0.728	79%	0.789	S	S	*	*			trans	-119.6	114.5	166.7	-59.8	174	0	0	0	106.3	V84	V84-I86 HydrophobicContact CG1-CG1 4.34Å
87	P	26.3	Very low	26.6	Very low	119 Å²	119	129.3 Å²	129.3	77%	0.773	79%	0.788	S	S	*	*			trans	-75	131.2	176.2	30.3	-32.3	0	0	0	110.1
88	V	30.6	Very low	26.8	Very low	124 Å²	124	129 Å²	129	75%	0.752	79%	0.787	S	S	*	*			trans	-89.4	109	164.8	-178.7	0	0	0	0	106.9
89	A	29.9	Very low	27.1	Very low	87 Å²	87	131.7 Å²	131.7	72%	0.719	80%	0.795	S	S	*	*			trans	-70.1	140.7	-174.7	0	0	0	0	0	112.8
90	S	28.5	Very low	27.4	Very low	121 Å²	121	129.2 Å²	129.2	85%	0.846	79%	0.791	S	S	*	*			trans	-63.5	135.9	166.3	-59.2	0	0	0	0	110.9	A92	S90-A92 PolarHBondContact O-N 3.22Å
91	S	27.1	Very low	27.8	Very low	127 Å²	127	129.9 Å²	129.9	89%	0.888	79%	0.787	S	S	*	*			trans	-88.6	88	176.1	55.1	0	0	0	0	111.8
92	A	29.3	Very low	28.2	Very low	85 Å²	85	130.9 Å²	130.9	70%	0.702	79%	0.789	S	S	*	*			trans	-161.4	93.2	164.7	0	0	0	0	0	114.2	S90	S90-A92 PolarHBondContact O-N 3.22Å
93	F	25.9	Very low	28.6	Very low	203 Å²	203	132.2 Å²	132.2	89%	0.89	78%	0.784	S	S	*	*			trans	60.8	159.5	143.8	-95.5	-103.7	0	0	0	123.5
94	C	27.6	Very low	29.3	Very low	104 Å²	104	134 Å²	134	70%	0.703	79%	0.785	S	S	*	*			trans	72	78.1	162.9	-65.3	0	0	0	0	120.8
95	L	26.9	Very low	29.8	Very low	169 Å²	169	134.9 Å²	134.9	89%	0.885	79%	0.785	S	S	*	*				53.8	133.1	119	-63.3	170.6	0	0	0	122.3
96	A	28.7	Very low	30.3	Very low	93 Å²	93	133 Å²	133	77%	0.769	79%	0.786	S	S	*	*			trans	70.1	143.1	155.1	0	0	0	0	0	118.3
97	S	29.1	Very low	30.8	Very low	98 Å²	98	129.7 Å²	129.7	69%	0.685	78%	0.78	S	S	*	*			cis	-160.7	139.1	-11.7	-110.4	0	0	0	0	113.4
98	L	28.4	Very low	31.4	Very low	159 Å²	159	131.6 Å²	131.6	83%	0.832	78%	0.782	S	S	*	*			trans	67.7	151.3	141.3	-63.1	168.8	0	0	0	122.8
99	C	33	Very low	31.7	Very low	120 Å²	120	130.5 Å²	130.5	81%	0.811	78%	0.775	S	S	*	*			trans	77.8	68.1	155.3	-67.1	0	0	0	0	121.5
100	N	29.9	Very low	32.1	Very low	161 Å²	161	133.4 Å²	133.4	86%	0.861	78%	0.779	S	S	*	*				30	150.3	122.3	-90.5	9.9	0	0	0	124.5
101	P	37.9	Very low	32.5	Very low	114 Å²	114	134.1 Å²	134.1	74%	0.74	77%	0.769	S	S	*	*			trans	-109.9	170.5	174.3	43.2	-35.3	0	0	0	115.9
102	T	33.8	Very low	33.3	Very low	135 Å²	135	134 Å²	134	83%	0.828	76%	0.762	S	S	*	*			trans	-159.1	163.6	166.1	35.2	0	0	0	0	108.2
103	M	33.6	Very low	34	Very low	145 Å²	145	135.7 Å²	135.7	71%	0.714	76%	0.76	S	S	*	*			cis	-173.8	173.8	-34.5	-110.8	-91.1	-76.2	0	0	107
104	E	38.4	Very low	35.3	Very low	158 Å²	158	131.8 Å²	131.8	74%	0.738	76%	0.755	S	S	*	*			trans	65.8	172.6	163.8	-65.9	141.7	-128.4	0	0	119.3
105	N	33.9	Very low	35.9	Very low	143 Å²	143	130.4 Å²	130.4	77%	0.765	76%	0.758	S	S	*	*				-175.3	158	-71.8	-113.4	-0.9	0	0	0	109.9
106	E	34.5	Very low	36.5	Very low	186 Å²	186	127 Å²	127	87%	0.869	75%	0.754	S	S	*	*			trans	64.2	166.4	163.5	-51	-123.5	139.5	0	0	116.5
107	A	33.9	Very low	37	Very low	73 Å²	73	127.1 Å²	127.1	60%	0.603	76%	0.755	S	S	*	*			cis	-167.2	-168.1	-38	0	0	0	0	0	108.9
108	I	38.1	Very low	37.6	Very low	159 Å²	159	128 Å²	128	82%	0.815	76%	0.756	S	S	*	*			trans	79.9	154.6	160.8	-54.9	167.5	0	0	0	117.1
109	T	36.9	Very low	37.9	Very low	101 Å²	101	129 Å²	129	62%	0.62	76%	0.757	S	S	*	*				-158.8	-175.2	-75.3	53.1	0	0	0	0	110.7
110	N	39.3	Very low	38	Very low	148 Å²	148	128.1 Å²	128.1	79%	0.791	75%	0.752	S	S	*	*			trans	80.3	153	163.2	-44.7	-20.7	0	0	0	116.5
111	E	37.1	Very low	38.4	Very low	136 Å²	136	125.7 Å²	125.7	64%	0.636	75%	0.747	S	S	*	*			cis	-162.1	-176.4	-22	-119	-69.2	76.3	0	0	105.3	N113	E111-N113 PolarHBondContact OE2-ND2 2.93Å
112	V	43	Very low	38.3	Very low	124 Å²	124	128.8 Å²	128.8	75%	0.752	75%	0.752	S	S	*	*			cis	-140.9	132.3	15	173.2	0	0	0	0	106.6
113	N	43.6	Very low	38.5	Very low	121 Å²	121	127.8 Å²	127.8	65%	0.647	75%	0.748	S	S	*	*				77	158.5	75.3	-109.8	-28	0	0	0	115.8	E111	E111-N113 PolarHBondContact OE2-ND2 2.93Å
114	P	53.2	Low	38.4	Very low	121 Å²	121	124.3 Å²	124.3	79%	0.786	75%	0.749	S	S	*	*				-142	-171.6	-113.7	46.6	-28.6	0	0	0	118
115	G	39.7	Very low	38.2	Very low	74 Å²	74	121.7 Å²	121.7	76%	0.763	76%	0.755	S	S	*	*			trans	140	152.3	155	0	0	0	0	0	115.6
116	A	40.6	Very low	38.1	Very low	99 Å²	99	124.2 Å²	124.2	82%	0.818	76%	0.764	S	S	*	*			cis	-166.7	155	-14.2	0	0	0	0	0	111.6
117	A	39.7	Very low	38.1	Very low	94 Å²	94	124.3 Å²	124.3	78%	0.777	77%	0.765	S	S	*	*			trans	64.6	149.4	158.5	0	0	0	0	0	119.3
118	T	40.3	Very low	38	Very low	117 Å²	117	126.7 Å²	126.7	72%	0.718	77%	0.772	S	S	*	*			cis	-157.1	149.4	-10.6	5	0	0	0	0	111.5
119	E	35.5	Very low	37.8	Very low	180 Å²	180	125.9 Å²	125.9	84%	0.841	77%	0.774	S	S	*	*			trans	33.4	145.8	136.2	-72.1	172	162.4	0	0	122.8
120	S	35.9	Very low	37.5	Very low	101 Å²	101	126.5 Å²	126.5	71%	0.706	78%	0.777	S	S	*	*			cis	-162.5	167.5	10.8	52	0	0	0	0	114.1
121	S	36.9	Very low	37.2	Very low	110 Å²	110	123.3 Å²	123.3	77%	0.769	77%	0.772	S	S	*	*			trans	40.5	144.2	139.7	-64	0	0	0	0	123.4
122	Q	36.2	Very low	37	Very low	180 Å²	180	124.3 Å²	124.3	84%	0.841	78%	0.781	S	S	*	*			cis	-159.6	-159	-18.7	-140.7	-155.4	-14.7	0	0	108.8
123	P	38.9	Very low	36.4	Very low	114 Å²	114	124 Å²	124	74%	0.74	78%	0.779	S	S	*	*			trans	-112	165	-140.5	40.8	-24	0	0	0	116.6
124	G	30.5	Very low	35.8	Very low	71 Å²	71	123.2 Å²	123.2	73%	0.732	78%	0.783	S	S	*	*			trans	-175.6	165.1	168.4	0	0	0	0	0	114.1
125	A	34.9	Very low	34.6	Very low	104 Å²	104	128.5 Å²	128.5	86%	0.86	79%	0.788	S	S	*	*			trans	59.3	101.5	173	0	0	0	0	0	117.8
126	M	32	Very low	34.5	Very low	195 Å²	195	134.4 Å²	134.4	96%	0.961	79%	0.793	S	S	*	*			trans	-63.2	133.9	153.4	61.6	-145.4	165.7	0	0	110.7
127	E	34.3	Very low	34.2	Very low	189 Å²	189	140.9 Å²	140.9	88%	0.883	80%	0.796	S	S	*	*			trans	-140.6	138.7	169.3	-162.4	164.8	-138.6	0	0	112.6	V129	E127-V129 PolarHBondContact O-N 2.85Å
128	T	31.3	Very low	33.9	Very low	123 Å²	123	148.3 Å²	148.3	76%	0.755	80%	0.804	S	S	*	*			trans	-85.3	108.2	-165.2	-54.9	0	0	0	0	111.5	V130	T128-V130 VanDerWaalsContact C-N 3.3Å; T128-V130 HydrophobicContact CG2-CG2 4.12Å; T128-V130 PolarHBondContact O-N 3.5Å
129	V	33.2	Very low	34.3	Very low	142 Å²	142	151 Å²	151	86%	0.861	80%	0.801	S	S	*	*			trans	-71.9	82.7	176.2	-174.4	0	0	0	0	111	E127 A131	E127-V129 PolarHBondContact O-N 2.85Å; V129-A131 PolarHBondContact O-N 3.42Å
130	V	32.1	Very low	35.1	Very low	113 Å²	113	147.4 Å²	147.4	69%	0.685	79%	0.787	S	S	*	*			trans	-71.1	108.3	168.9	179.1	0	0	0	0	108.6	T128 N132	T128-V130 VanDerWaalsContact C-N 3.3Å; T128-V130 HydrophobicContact CG2-CG2 4.12Å; T128-V130 PolarHBondContact O-N 3.5Å; V130-N132 PolarHBondContact O-N 2.98Å
131	A	33.3	Very low	36.1	Very low	82 Å²	82	147.4 Å²	147.4	68%	0.678	78%	0.779	S	S	*	*			trans	-67.2	98	179.8	0	0	0	0	0	111.3	V129 V133	V129-A131 PolarHBondContact O-N 3.42Å; A131-V133 PolarHBondContact O-N 2.95Å
132	N	31.1	Very low	36.8	Very low	157 Å²	157	145.8 Å²	145.8	84%	0.84	76%	0.762	S	S	*	*			trans	-65.4	89.4	179.4	-107.9	-39.7	0	0	0	111.8	V130 S134	V130-N132 PolarHBondContact O-N 2.98Å; N132-S134 PolarHBondContact O-N 3.46Å
133	V	32.1	Very low	38.1	Very low	117 Å²	117	139.9 Å²	139.9	71%	0.709	74%	0.74	S	S	*	*			trans	-67.5	97.8	171.9	179.3	0	0	0	0	108.8	A131 W135	A131-V133 PolarHBondContact O-N 2.95Å; V133-W135 VanDerWaalsContact O-CD1 3.29Å; V133-W135 PolarHBondContact O-N 3.42Å; V133-W135 VanDerWaalsContact O-N 3.12Å
134	S	30.4	Very low	39.1	Very low	104 Å²	104	136.9 Å²	136.9	73%	0.727	72%	0.719	S	S	*	*			trans	-61.9	113.9	-179.7	-173.6	0	0	0	0	111.3	N132 K136	N132-S134 PolarHBondContact O-N 3.46Å; S134-K136 VanDerWaalsContact C-N 3.26Å; S134-K136 PolarHBondContact O-N 3.45Å
135	W	28.9	Very low	40.5	Very low	232 Å²	232	137.3 Å²	137.3	88%	0.879	70%	0.704	S	S	*	*			trans	-68.5	81.3	176.3	-77	60.7	0	0	0	110.5	V133 R137	V133-W135 VanDerWaalsContact O-CD1 3.29Å; V133-W135 PolarHBondContact O-N 3.42Å; V133-W135 VanDerWaalsContact O-N 3.12Å; W135-R137 PolarHBondContact O-N 3.12Å
136	K	35.9	Very low	42.1	Very low	199 Å²	199	136 Å²	136	87%	0.865	69%	0.686	S	S	*	*			trans	-66.9	96.4	-176.2	-148.9	163.7	-166.4	164.6	0	109.7	S134 R138	S134-K136 VanDerWaalsContact C-N 3.26Å; S134-K136 PolarHBondContact O-N 3.45Å; K136-R138 PolarHBondContact O-N 3.26Å
137	R	34	Very low	43.7	Very low	235 Å²	235	129 Å²	129	89%	0.887	66%	0.655	S	S	*	*			trans	-43.3	133.5	-174.9	-64.8	-176.3	-177.3	-177.8	1.9	111.4	W135 R139	W135-R137 PolarHBondContact O-N 3.12Å; R137-R139 PolarHBondContact O-N 3.27Å
138	R	35.3	Very low	45.1	Very low	250 Å²	250	123.8 Å²	123.8	94%	0.943	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-53.4	125.9	169	-76.4	-170.6	175.6	-150.1	2.4	108.1	K136	K136-R138 PolarHBondContact O-N 3.26Å
139	R	48.7	Very low	46.7	Very low	174 Å²	174	121.4 Å²	121.4	66%	0.657	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-73.3	133.2	172.2	-79.1	176.9	-78.3	150.7	-0.8	108.5	R137 V144	R137-R139 PolarHBondContact O-N 3.27Å; R139-V144 HydrophobicContact CB-CG2 4.18Å
140	N	51.1	Low	48.3	Very low	103 Å²	103	118.6 Å²	118.6	55%	0.551	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-62.4	155.1	169.7	-172.4	14.8	0	0	0	109.9	D142 S143 V144	N140-D142 PolarHBondContact ND2-OD2 3.17Å; N140-D142 PolarHBondContact O-N 3.11Å; N140-S143 WeakPolarHBondContact O-CA 3.26Å; N140-S143 WeakPolarHBondContact O-CB 3.09Å; N140-S143 PolarHBondContact O-N 2.93Å; N140-V144 PolarHBondContact O-N 3.43Å
141	L	57.2	Low	49.8	Very low	101 Å²	101	120.1 Å²	120.1	53%	0.529	60%	0.596	S	S	.	*	H	α-helix	trans	-55.1	-42.6	179.9	-178.1	59.8	0	0	0	111.3	S143 V144 I145	L141-S143 VanDerWaalsContact C-N 3.3Å; L141-S143 PolarHBondContact O-N 3.43Å; L141-V144 CarbonylContact O-C 3.23Å; L141-V144 WeakPolarHBondContact O-CA 3.23Å; L141-V144 WeakPolarHBondContact O-CB 3.33Å; L141-V144 PolarHBondContact O-N 3.01Å; L141-I145 HydrophobicContact CD1-CD1 4.33Å; L141-I145 HydrophobicContact CD1-CG1 4.44Å; L141-I145 HydrophobicContact CD2-CD1 4.49Å; L141-I145 HydrophobicContact CG-CD1 3.9Å; L141-I145 HydrophobicContact CG-CG1 4.43Å; L141-I145 WeakPolarHBondContact O-CG1 3.33Å; L141-I145 PolarHBondContact O-N 3.28Å
142	D	51.2	Low	50.5	Low	77 Å²	77	123.8 Å²	123.8	41%	0.412	59%	0.592	S	S	.	*	H	α-helix	trans	-56.4	-42.8	175.3	-50.8	-56	0	0	0	112.1	N140 V144 I145 T146	N140-D142 PolarHBondContact ND2-OD2 3.17Å; N140-D142 PolarHBondContact O-N 3.11Å; D142-V144 VanDerWaalsContact C-N 3.25Å; D142-V144 PolarHBondContact O-N 2.74Å; D142-I145 PolarHBondContact O-N 3.44Å; D142-T146 WeakPolarHBondContact O-CB 3.38Å; D142-T146 PolarHBondContact O-N 3.4Å; D142-T146 PolarHBondContact O-OG1 2.77Å
143	S	63.5	Low	51.8	Low	55 Å²	55	121.7 Å²	121.7	39%	0.385	58%	0.58	S	S	.	*	H	α-helix	trans	-64.1	-29.9	176.4	172.4	0	0	0	0	112.5	N140 L141 S147	N140-S143 WeakPolarHBondContact O-CA 3.26Å; N140-S143 WeakPolarHBondContact O-CB 3.09Å; N140-S143 PolarHBondContact O-N 2.93Å; L141-S143 VanDerWaalsContact C-N 3.3Å; L141-S143 PolarHBondContact O-N 3.43Å; S143-S147 WeakPolarHBondContact O-CB 3.39Å; S143-S147 PolarHBondContact O-N 2.89Å
144	V	60.1	Low	52.8	Low	51 Å²	51	124 Å²	124	31%	0.309	58%	0.583	S	S	.	*	H	α-helix	trans	-75.4	-46.2	173.7	-179.1	0	0	0	0	110.4	R139 N140 L141 D142 S147 I148	R139-V144 HydrophobicContact CB-CG2 4.18Å; N140-V144 PolarHBondContact O-N 3.43Å; L141-V144 CarbonylContact O-C 3.23Å; L141-V144 WeakPolarHBondContact O-CA 3.23Å; L141-V144 WeakPolarHBondContact O-CB 3.33Å; L141-V144 PolarHBondContact O-N 3.01Å; D142-V144 VanDerWaalsContact C-N 3.25Å; D142-V144 PolarHBondContact O-N 2.74Å; V144-S147 PolarHBondContact O-N 3.39Å; V144-I148 HydrophobicContact CG1-CD1 3.88Å; V144-I148 WeakPolarHBondContact O-CG1 3.18Å; V144-I148 PolarHBondContact O-N 2.89Å
145	I	60.6	Low	53.7	Low	81 Å²	81	127.4 Å²	127.4	42%	0.415	59%	0.585	S	S	.	*	H	α-helix	trans	-59.8	-54.1	177.7	-66.3	169.9	0	0	0	110.6	L141 D142 S147 I148 V149	L141-I145 HydrophobicContact CD1-CD1 4.33Å; L141-I145 HydrophobicContact CD1-CG1 4.44Å; L141-I145 HydrophobicContact CD2-CD1 4.49Å; L141-I145 HydrophobicContact CG-CD1 3.9Å; L141-I145 HydrophobicContact CG-CG1 4.43Å; L141-I145 WeakPolarHBondContact O-CG1 3.33Å; L141-I145 PolarHBondContact O-N 3.28Å; D142-I145 PolarHBondContact O-N 3.44Å; I145-S147 VanDerWaalsContact C-N 3.25Å; I145-S147 PolarHBondContact O-N 3.17Å; I145-I148 PolarHBondContact O-N 3.3Å; I145-V149 HydrophobicContact CG2-CG2 4.42Å; I145-V149 WeakPolarHBondContact O-CG2 3.37Å; I145-V149 PolarHBondContact O-N 3.03Å
146	T	67.2	Low	54.3	Low	77 Å²	77	126 Å²	126	47%	0.472	58%	0.58	S	S	.	*	H	α-helix	trans	-58.7	-36.2	176.7	-54.3	0	0	0	0	111.9	D142 N150	D142-T146 WeakPolarHBondContact O-CB 3.38Å; D142-T146 PolarHBondContact O-N 3.4Å; D142-T146 PolarHBondContact O-OG1 2.77Å; T146-N150 VanDerWaalsContact O-CB 3.31Å; T146-N150 WeakPolarHBondContact O-CB 3.38Å; T146-N150 VanDerWaalsContact O-CG 3.27Å; T146-N150 PolarHBondContact O-N 3.14Å
147	S	65.7	Low	54.5	Low	46 Å²	46	123.4 Å²	123.4	32%	0.322	58%	0.575	S	S	.	*	H	α-helix	trans	-68	-36.1	175.6	-175.2	0	0	0	0	112.9	S143 V144 I145 K151	S143-S147 WeakPolarHBondContact O-CB 3.39Å; S143-S147 PolarHBondContact O-N 2.89Å; V144-S147 PolarHBondContact O-N 3.39Å; I145-S147 VanDerWaalsContact C-N 3.25Å; I145-S147 PolarHBondContact O-N 3.17Å; S147-K151 VanDerWaalsContact O-CB 3.27Å; S147-K151 WeakPolarHBondContact O-CB 3.41Å; S147-K151 WeakPolarHBondContact O-CG 3.42Å; S147-K151 PolarHBondContact O-N 3.49Å; S147-K151 VanDerWaalsContact O-N 3.1Å
148	I	64.9	Low	54.9	Low	81 Å²	81	120.6 Å²	120.6	42%	0.415	57%	0.572	S	S	.	*	H	α-helix	trans	-70	-45.9	175.5	-69.4	164.7	0	0	0	110.6	V144 I145 K151 R152	V144-I148 HydrophobicContact CG1-CD1 3.88Å; V144-I148 WeakPolarHBondContact O-CG1 3.18Å; V144-I148 PolarHBondContact O-N 2.89Å; I145-I148 PolarHBondContact O-N 3.3Å; I148-K151 PolarHBondContact O-N 3.19Å; I148-R152 PolarHBondContact O-N 2.58Å; I148-R152 VanDerWaalsContact O-N 3.12Å
149	V	64.3	Low	55.3	Low	72 Å²	72	115.9 Å²	115.9	44%	0.436	57%	0.565	S	S	.	*	H	α-helix	trans	-59.3	-53.3	177	171.7	0	0	0	0	110.3	I145 K151 R152 L153	I145-V149 HydrophobicContact CG2-CG2 4.42Å; I145-V149 WeakPolarHBondContact O-CG2 3.37Å; I145-V149 PolarHBondContact O-N 3.03Å; V149-K151 VanDerWaalsContact C-N 3.35Å; V149-K151 PolarHBondContact O-N 2.75Å; V149-R152 PolarHBondContact O-N 3.06Å; V149-L153 HydrophobicContact CG1-CD1 3.8Å; V149-L153 HydrophobicContact CG1-CG 4.28Å; V149-L153 WeakPolarHBondContact O-CG 3.34Å; V149-L153 PolarHBondContact O-N 2.82Å
150	N	66.3	Low	55	Low	84 Å²	84	115 Å²	115	45%	0.449	57%	0.574	S	S	.	*	H	α-helix	trans	-63.7	-37.4	-178.6	-70.2	-4.7	0	0	0	112.5	T146 R152 L153 Q154	T146-N150 VanDerWaalsContact O-CB 3.31Å; T146-N150 WeakPolarHBondContact O-CB 3.38Å; T146-N150 VanDerWaalsContact O-CG 3.27Å; T146-N150 PolarHBondContact O-N 3.14Å; N150-R152 VanDerWaalsContact C-N 3.26Å; N150-R152 PolarHBondContact O-N 3.19Å; N150-L153 PolarHBondContact O-N 3.42Å; N150-Q154 WeakPolarHBondContact O-CG 3.4Å; N150-Q154 PolarHBondContact O-N 2.85Å
151	K	63.9	Low	54.3	Low	144 Å²	144	113.9 Å²	113.9	63%	0.626	59%	0.586	S	S	*	*	H	α-helix	trans	-66.5	-23.4	174.4	-84.4	-174.6	168.1	-171.1	0	114.2	S147 I148 V149	S147-K151 VanDerWaalsContact O-CB 3.27Å; S147-K151 WeakPolarHBondContact O-CB 3.41Å; S147-K151 WeakPolarHBondContact O-CG 3.42Å; S147-K151 PolarHBondContact O-N 3.49Å; S147-K151 VanDerWaalsContact O-N 3.1Å; I148-K151 PolarHBondContact O-N 3.19Å; V149-K151 VanDerWaalsContact C-N 3.35Å; V149-K151 PolarHBondContact O-N 2.75Å
152	R	48.8	Very low	53.4	Low	160 Å²	160	117.7 Å²	117.7	60%	0.604	60%	0.603	S	S	*	*	H	α-helix	trans	-90.1	-34.2	173.9	-74.1	-177.8	172.3	171	-2.9	112.3	I148 V149 N150 Q154 K155 M164	I148-R152 PolarHBondContact O-N 2.58Å; I148-R152 VanDerWaalsContact O-N 3.12Å; V149-R152 PolarHBondContact O-N 3.06Å; N150-R152 VanDerWaalsContact C-N 3.26Å; N150-R152 PolarHBondContact O-N 3.19Å; R152-Q154 PolarHBondContact O-N 3.34Å; R152-K155 CarbonylContact O-C 3.6Å; R152-K155 VanDerWaalsContact O-C 3.25Å; R152-K155 WeakPolarHBondContact O-CA 3.31Å; R152-K155 PolarHBondContact O-N 3.5Å; R152-M164 PolarHBondContact NH1-SD 3.34Å; R152-M164 VanDerWaalsContact NH1-SD 3.39Å
153	L	57.4	Low	53.1	Low	113 Å²	113	116.5 Å²	116.5	59%	0.592	60%	0.604	S	S	*	*	H	α-helix	trans	-62.5	-30	170.1	-69.9	172.9	0	0	0	112.9	V149 N150 K155	V149-L153 HydrophobicContact CG1-CD1 3.8Å; V149-L153 HydrophobicContact CG1-CG 4.28Å; V149-L153 WeakPolarHBondContact O-CG 3.34Å; V149-L153 PolarHBondContact O-N 2.82Å; N150-L153 PolarHBondContact O-N 3.42Å; L153-K155 VanDerWaalsContact C-N 3.31Å
154	Q	53.3	Low	52.1	Low	164 Å²	164	119.7 Å²	119.7	77%	0.766	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.3	-12.9	170.4	-73	177.7	-18.2	0	0	113.9	N150 R152	N150-Q154 WeakPolarHBondContact O-CG 3.4Å; N150-Q154 PolarHBondContact O-N 2.85Å; R152-Q154 PolarHBondContact O-N 3.34Å
155	K	49.4	Very low	51.5	Low	176 Å²	176	120.7 Å²	120.7	77%	0.765	62%	0.622	S	S	*	*			trans	-102.9	67.3	168.3	-74.1	-162.4	169	-156.1	0	109.9	R152 L153	R152-K155 CarbonylContact O-C 3.6Å; R152-K155 VanDerWaalsContact O-C 3.25Å; R152-K155 WeakPolarHBondContact O-CA 3.31Å; R152-K155 PolarHBondContact O-N 3.5Å; L153-K155 VanDerWaalsContact C-N 3.31Å
156	R	40.8	Very low	50.6	Low	204 Å²	204	121 Å²	121	77%	0.77	63%	0.628	S	S	*	*			trans	-64.7	157.4	154.3	-70.6	-180	114.3	99.6	-4.3	108.7
157	D	41.2	Very low	49.6	Very low	144 Å²	144	123.2 Å²	123.2	77%	0.77	63%	0.631	S	S	*	*	S	Bend	trans	75.3	129	176	-44.4	-33.7	0	0	0	116.1
158	H	41.5	Very low	48.7	Very low	176 Å²	176	124.2 Å²	124.2	82%	0.815	64%	0.635	S	S	*	*	S	Bend	trans	60.6	80.5	174.3	-69.5	73.6	0	0	0	118.3
159	N	43.3	Very low	47.8	Very low	151 Å²	151	126.1 Å²	126.1	81%	0.807	64%	0.642	S	S	*	*				-178.3	153.6	102.8	-91.8	-4	0	0	0	112.2
160	D	43.7	Very low	46.9	Very low	156 Å²	156	125 Å²	125	83%	0.834	64%	0.637	S	S	*	*			trans	-77	151.6	-167.5	-58.2	-82.3	0	0	0	116.6	M162	D160-M162 PolarHBondContact O-N 3.45Å
161	G	35.1	Very low	46	Very low	79 Å²	79	128.2 Å²	128.2	81%	0.814	66%	0.663	S	S	*	*				92.7	0.2	129.8	0	0	0	0	0	119.6
162	M	39.2	Very low	45.6	Very low	181 Å²	181	125.3 Å²	125.3	89%	0.892	67%	0.673	S	S	*	*			trans	-123.2	96.5	179.9	-74.5	-69.1	178.4	0	0	113.1	D160	D160-M162 PolarHBondContact O-N 3.45Å
163	A	45.3	Very low	45.6	Very low	52 Å²	52	119.4 Å²	119.4	43%	0.43	66%	0.662	S	S	.	*	P	Polyproline II helix	trans	-70.2	142.4	170.4	0	0	0	0	0	111.3	C179	A163-C179 WeakPolarHBondContact CB-SG 3.43Å
164	M	42.2	Very low	45	Very low	121 Å²	121	117.9 Å²	117.9	60%	0.596	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-87.3	144.5	176.9	-90.4	-168.6	60.8	0	0	112.3	R152	R152-M164 PolarHBondContact NH1-SD 3.34Å; R152-M164 VanDerWaalsContact NH1-SD 3.39Å
165	P	46.8	Very low	44.6	Very low	72 Å²	72	114.8 Å²	114.8	47%	0.468	64%	0.642	S	S	.	*	P	Polyproline II helix	trans	-64.4	138	166.5	28.7	-34	0	0	0	110.3	F167 L176	P165-F167 HydrophobicContact CB-CE2 3.99Å; P165-F167 HydrophobicContact CB-CZ 4.19Å; P165-F167 HydrophobicContact CG-CE2 3.99Å; P165-F167 HydrophobicContact CG-CZ 4.38Å; P165-L176 HydrophobicContact CB-CD1 3.68Å
166	V	42.7	Very low	44.3	Very low	89 Å²	89	111.9 Å²	111.9	54%	0.539	64%	0.635	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.7	119.2	175.7	-179.3	0	0	0	0	108.7	I177	V166-I177 PolarHBondContact O-N 3.46Å
167	F	45.7	Very low	44.4	Very low	122 Å²	122	106.2 Å²	106.2	54%	0.535	62%	0.619	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.7	136.2	174.9	-59.4	-85.8	0	0	0	109.3	P165 L176	P165-F167 HydrophobicContact CB-CE2 3.99Å; P165-F167 HydrophobicContact CB-CZ 4.19Å; P165-F167 HydrophobicContact CG-CE2 3.99Å; P165-F167 HydrophobicContact CG-CZ 4.38Å; F167-L176 HydrophobicContact CD1-CD1 4.38Å; F167-L176 HydrophobicContact CE1-CD1 3.84Å; F167-L176 HydrophobicContact CZ-CD1 4.05Å
168	V	46	Very low	44.8	Very low	68 Å²	68	102.4 Å²	102.4	41%	0.412	60%	0.603	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.7	108.8	173.7	-179.9	0	0	0	0	108.4	S170 I177	V168-S170 PolarHBondContact O-N 3.33Å; V168-S170 VanDerWaalsContact O-N 3.14Å; V168-S170 PolarHBondContact O-OG 2.8Å; V168-I177 HydrophobicContact CB-CD1 4.15Å; V168-I177 HydrophobicContact CG2-CD1 3.9Å
169	H	46.5	Very low	44.8	Very low	121 Å²	121	97 Å²	97	56%	0.56	58%	0.584	S	S	*	*			trans	-55.3	118.2	175.5	-67.9	107.7	0	0	0	110.1	D174	H169-D174 WeakPolarHBondContact CA-OD1 3.39Å; H169-D174 IonicContact CD2-OD1 3.16Å; H169-D174 PolarHBondContact CD2-OD1 2.97Å; H169-D174 IonicContact CD2-OD2 2.71Å; H169-D174 IonicContact CG-OD1 3.97Å; H169-D174 IonicContact NE2-OD1 3.3Å
170	S	46.7	Very low	44.9	Very low	47 Å²	47	101.2 Å²	101.2	33%	0.329	59%	0.589	S	S	.	*			trans	-121.2	148.4	173.3	-62.4	0	0	0	0	108.9	V168 G172 G173	V168-S170 PolarHBondContact O-N 3.33Å; V168-S170 VanDerWaalsContact O-N 3.14Å; V168-S170 PolarHBondContact O-OG 2.8Å; S170-G172 PolarHBondContact O-N 3.21Å; S170-G173 PolarHBondContact O-N 2.99Å
171	P	47.4	Very low	44.7	Very low	153 Å²	153	98.7 Å²	98.7	99%	0.994	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	8.4	-176.4	27.9	-35.9	0	0	0	115.1
172	G	55.5	Low	45.3	Very low	82 Å²	82	101.7 Å²	101.7	85%	0.845	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.9	17.7	172.2	0	0	0	0	0	113.9	S170	S170-G172 PolarHBondContact O-N 3.21Å
173	G	46.9	Very low	45.8	Very low	36 Å²	36	97 Å²	97	37%	0.371	57%	0.574	S	S	.	*			trans	112.5	161.8	-177.4	0	0	0	0	0	113.4	S170 I175	S170-G173 PolarHBondContact O-N 2.99Å; G173-I175 PolarHBondContact O-N 3.46Å
174	D	45.3	Very low	46.1	Very low	81 Å²	81	97.1 Å²	97.1	43%	0.433	57%	0.571	S	S	.	*			trans	-77.2	121.7	-178.8	-68	-30.3	0	0	0	111.4	H169	H169-D174 WeakPolarHBondContact CA-OD1 3.39Å; H169-D174 IonicContact CD2-OD1 3.16Å; H169-D174 PolarHBondContact CD2-OD1 2.97Å; H169-D174 IonicContact CD2-OD2 2.71Å; H169-D174 IonicContact CG-OD1 3.97Å; H169-D174 IonicContact NE2-OD1 3.3Å
175	I	45.2	Very low	46.4	Very low	99 Å²	99	102.9 Å²	102.9	51%	0.508	59%	0.586	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-97.3	123.6	177.7	-56.9	178	0	0	0	108.8	G173 I177	G173-I175 PolarHBondContact O-N 3.46Å; I175-I177 HydrophobicContact CG2-CG1 4.15Å; I175-I177 PolarHBondContact O-N 3.36Å
176	L	42.9	Very low	46.9	Very low	116 Å²	116	103 Å²	103	61%	0.607	59%	0.588	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-70.8	111.3	167.7	-178.3	71.7	0	0	0	108.9	P165 F167	P165-L176 HydrophobicContact CB-CD1 3.68Å; F167-L176 HydrophobicContact CD1-CD1 4.38Å; F167-L176 HydrophobicContact CE1-CD1 3.84Å; F167-L176 HydrophobicContact CZ-CD1 4.05Å
177	I	44.2	Very low	47.3	Very low	85 Å²	85	108.8 Å²	108.8	44%	0.436	61%	0.606	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.1	145.1	176.3	-58.4	-177.5	0	0	0	109.3	V166 V168 I175	V166-I177 PolarHBondContact O-N 3.46Å; V168-I177 HydrophobicContact CB-CD1 4.15Å; V168-I177 HydrophobicContact CG2-CD1 3.9Å; I175-I177 HydrophobicContact CG2-CG1 4.15Å; I175-I177 PolarHBondContact O-N 3.36Å
178	S	48.3	Very low	47.5	Very low	63 Å²	63	111.5 Å²	111.5	44%	0.441	62%	0.62	S	S	.	*	P	Polyproline II helix	trans	-57.2	151.4	-167.4	54.5	0	0	0	0	115.1	R180 H191	S178-R180 PolarHBondContact O-N 2.91Å; S178-H191 VanDerWaalsContact CB-CE1 3.46Å; S178-H191 WeakPolarHBondContact CB-CE1 3.37Å
179	C	42.2	Very low	47.2	Very low	62 Å²	62	111.3 Å²	111.3	42%	0.419	63%	0.626	S	S	.	*	P	Polyproline II helix	trans	-52.2	120.8	171	179.3	0	0	0	0	110.8	A163	A163-C179 WeakPolarHBondContact CB-SG 3.43Å
180	R	44.6	Very low	46.8	Very low	241 Å²	241	112.2 Å²	112.2	91%	0.909	64%	0.635	S	S	*	*			trans	-108.7	62.4	-171.4	-167.5	-173.4	170.5	164.6	-1.5	111.9	S178	S178-R180 PolarHBondContact O-N 2.91Å
181	D	39.6	Very low	46.3	Very low	102 Å²	102	116.7 Å²	116.7	55%	0.545	65%	0.651	S	S	.	*			trans	-135	132.7	171.1	-89.8	-53.2	0	0	0	111.3	A183 C184	D181-A183 PolarHBondContact O-N 3.04Å; D181-C184 WeakPolarHBondContact O-CB 3.35Å; D181-C184 PolarHBondContact O-N 3.28Å
182	S	47.7	Very low	45.9	Very low	142 Å²	142	114 Å²	114	99%	0.993	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.5	-2.9	177	49.7	0	0	0	0	114.1
183	A	50.7	Low	44.9	Very low	83 Å²	83	119.8 Å²	119.8	69%	0.686	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.8	-4.5	176.1	0	0	0	0	0	114.3	D181 R185	D181-A183 PolarHBondContact O-N 3.04Å; A183-R185 PolarHBondContact O-N 3.22Å
184	C	51.9	Low	44.3	Very low	55 Å²	55	125 Å²	125	37%	0.372	65%	0.646	S	S	.	*			trans	-65.5	96.9	178.8	165.3	0	0	0	0	111.3	D181 C186	D181-C184 WeakPolarHBondContact O-CB 3.35Å; D181-C184 PolarHBondContact O-N 3.28Å; C184-C186 WeakPolarHBondContact CB-SG 3.43Å; C184-C186 PolarHBondContact O-N 2.82Å; C184-C186 WeakPolarHBondContact SG-CB 3.37Å; C184-C186 CovalentContact SG-SG 2.05Å; C184-C186 PolarHBondContact SG-SG 3.1Å
185	R	48.8	Very low	44	Very low	241 Å²	241	126.4 Å²	126.4	91%	0.909	66%	0.659	S	S	*	*			trans	-74.9	28.8	172.9	-73.7	-178.1	149.4	-169	-5.8	113.2	A183 K187	A183-R185 PolarHBondContact O-N 3.22Å; R185-K187 PolarHBondContact O-N 3.43Å; R185-K187 VanDerWaalsContact O-N 3.11Å
186	C	55.9	Low	43.6	Very low	76 Å²	76	127.8 Å²	127.8	51%	0.514	67%	0.667	S	S	.	*			trans	-80.8	93	-168.1	-36.8	0	0	0	0	109.7	C184 Q188	C184-C186 WeakPolarHBondContact CB-SG 3.43Å; C184-C186 PolarHBondContact O-N 2.82Å; C184-C186 WeakPolarHBondContact SG-CB 3.37Å; C184-C186 CovalentContact SG-SG 2.05Å; C184-C186 PolarHBondContact SG-SG 3.1Å; C186-Q188 PolarHBondContact O-N 2.98Å; C186-Q188 VanDerWaalsContact O-N 3.07Å
187	K	51.4	Low	43.4	Very low	210 Å²	210	131.4 Å²	131.4	91%	0.913	68%	0.678	S	S	*	*	S	Bend	trans	-68.9	-1.4	-172.8	-76	-172.2	174	-175.9	0	115.9	R185	R185-K187 PolarHBondContact O-N 3.43Å; R185-K187 VanDerWaalsContact O-N 3.11Å
188	Q	50.1	Low	42.9	Very low	178 Å²	178	132.6 Å²	132.6	83%	0.832	69%	0.694	S	S	*	*			trans	-121.1	98.8	177.3	-75.2	164.3	-37.9	0	0	108	C186	C186-Q188 PolarHBondContact O-N 2.98Å; C186-Q188 VanDerWaalsContact O-N 3.07Å
189	A	38.7	Very low	42.3	Very low	65 Å²	65	137.2 Å²	137.2	54%	0.537	71%	0.708	S	S	.	*			trans	-113.7	35	-179	0	0	0	0	0	111.6	H191	A189-H191 VanDerWaalsContact C-N 3.32Å; A189-H191 PolarHBondContact O-CD2 2.88Å; A189-H191 VanDerWaalsContact O-CD2 3.31Å; A189-H191 PolarHBondContact O-N 3.4Å
190	D	39.1	Very low	41.9	Very low	140 Å²	140	140.9 Å²	140.9	75%	0.749	73%	0.732	S	S	*	*			trans	-74.4	86.7	175	-73.9	-43.9	0	0	0	110	T192	D190-T192 PolarHBondContact O-N 3.18Å; D190-T192 PolarHBondContact O-OG1 2.85Å
191	H	35.6	Very low	41.7	Very low	141 Å²	141	132.9 Å²	132.9	65%	0.653	73%	0.725	S	S	*	*			trans	-71	67.5	175.7	-66.5	-56.7	0	0	0	111.7	S178 A189 K193	S178-H191 VanDerWaalsContact CB-CE1 3.46Å; S178-H191 WeakPolarHBondContact CB-CE1 3.37Å; A189-H191 VanDerWaalsContact C-N 3.32Å; A189-H191 PolarHBondContact O-CD2 2.88Å; A189-H191 VanDerWaalsContact O-CD2 3.31Å; A189-H191 PolarHBondContact O-N 3.4Å; H191-K193 PolarHBondContact O-N 3.41Å
192	T	38.5	Very low	41.6	Very low	96 Å²	96	131.9 Å²	131.9	59%	0.589	73%	0.73	S	S	*	*			trans	-67	122	172.4	38.3	0	0	0	0	110	D190 F194	D190-T192 PolarHBondContact O-N 3.18Å; D190-T192 PolarHBondContact O-OG1 2.85Å; T192-F194 WeakPolarHBondContact O-CD2 3.4Å; T192-F194 PolarHBondContact O-N 2.84Å; T192-F194 WeakPolarHBondContact OG1-CE2 3.28Å
193	K	35.5	Very low	41.1	Very low	204 Å²	204	136.5 Å²	136.5	89%	0.887	73%	0.726	S	S	*	*			trans	-83.8	72.7	-168.5	-173.8	-175.2	176.8	-177	0	110.9	H191 P195	H191-K193 PolarHBondContact O-N 3.41Å; K193-P195 VanDerWaalsContact O-CD 3.31Å; K193-P195 WeakPolarHBondContact O-CD 3.47Å
194	F	34.4	Very low	40.6	Very low	146 Å²	146	137.9 Å²	137.9	64%	0.64	73%	0.728	S	S	*	*			trans	-66.6	119.2	179.7	-77.8	-81.6	0	0	0	112.3	T192 L196	T192-F194 WeakPolarHBondContact O-CD2 3.4Å; T192-F194 PolarHBondContact O-N 2.84Å; T192-F194 WeakPolarHBondContact OG1-CE2 3.28Å; F194-L196 PolarHBondContact O-N 3.06Å
195	P	38.6	Very low	39.9	Very low	109 Å²	109	147 Å²	147	71%	0.708	76%	0.755	S	S	*	*			trans	-85.9	100.1	172.4	33.3	-29.2	0	0	0	110	K193 F197	K193-P195 VanDerWaalsContact O-CD 3.31Å; K193-P195 WeakPolarHBondContact O-CD 3.47Å; P195-F197 PolarHBondContact O-N 3.19Å
196	L	37.9	Very low	39	Very low	129 Å²	129	144.6 Å²	144.6	68%	0.675	75%	0.751	S	S	*	*			trans	-70.2	111.9	172.9	-68.4	177.1	0	0	0	110.3	F194	F194-L196 PolarHBondContact O-N 3.06Å
197	F	37.1	Very low	38.1	Very low	191 Å²	191	148.3 Å²	148.3	84%	0.838	77%	0.766	S	S	*	*			trans	46.6	86.8	166.2	-63.5	-81	0	0	0	116.9	P195 H199	P195-F197 PolarHBondContact O-N 3.19Å; F197-H199 PolarHBondContact O-N 3.18Å
198	S	34.3	Very low	37.1	Very low	110 Å²	110	145.7 Å²	145.7	77%	0.769	76%	0.762	S	S	*	*			trans	-67.2	125.5	159.6	-66.7	0	0	0	0	110.9
199	H	34.9	Very low	36.2	Very low	160 Å²	160	142.9 Å²	142.9	74%	0.741	76%	0.761	S	S	*	*			trans	-61.8	138.6	171.3	-72.9	-85.5	0	0	0	111.2	F197 G201 A202	F197-H199 PolarHBondContact O-N 3.18Å; H199-G201 PolarHBondContact O-N 3.45Å; H199-A202 PolarHBondContact O-N 3.14Å
200	P	35	Very low	35.8	Very low	139 Å²	139	145.7 Å²	145.7	90%	0.903	78%	0.776	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	92	173.4	29	-34	0	0	0	110.2
201	G	39.2	Very low	35.9	Very low	74 Å²	74	144.3 Å²	144.3	76%	0.763	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	158.6	-24	-178.8	0	0	0	0	0	114.5	H199 R203	H199-G201 PolarHBondContact O-N 3.45Å; G201-R203 PolarHBondContact O-N 2.93Å; G201-R203 VanDerWaalsContact O-N 3.1Å
202	A	37.7	Very low	36	Very low	81 Å²	81	145.1 Å²	145.1	67%	0.669	79%	0.787	S	S	*	*			trans	-79.5	91.7	-179.3	0	0	0	0	0	112.3	H199 P204	H199-A202 PolarHBondContact O-N 3.14Å; A202-P204 WeakPolarHBondContact O-CD 3.43Å
203	R	37.4	Very low	35.9	Very low	238 Å²	238	149.3 Å²	149.3	90%	0.898	81%	0.805	S	S	*	*			trans	-68.4	121.6	170.1	-73.3	-177.3	176.6	-105.6	2.6	110.5	G201 R205	G201-R203 PolarHBondContact O-N 2.93Å; G201-R203 VanDerWaalsContact O-N 3.1Å; R203-R205 PolarHBondContact O-N 3.38Å
204	P	39.6	Very low	36.1	Very low	112 Å²	112	151.4 Å²	151.4	73%	0.727	81%	0.807	S	S	*	*			trans	-71.3	119.9	175.1	28.5	-33.1	0	0	0	110.5	A202 F206	A202-P204 WeakPolarHBondContact O-CD 3.43Å; P204-F206 PolarHBondContact O-N 2.86Å
205	R	37.5	Very low	36.3	Very low	248 Å²	248	147.6 Å²	147.6	94%	0.936	81%	0.808	S	S	*	*			trans	-79.8	113.6	163.5	-79.9	-175.5	171.3	173.8	-2.5	108.7	R203	R203-R205 PolarHBondContact O-N 3.38Å
206	F	30.7	Very low	36.4	Very low	189 Å²	189	152.2 Å²	152.2	83%	0.829	82%	0.821	S	S	*	*			trans	-60.3	137.7	165.1	-79.5	-95.4	0	0	0	110.1	P204	P204-F206 PolarHBondContact O-N 2.86Å
207	N	36.9	Very low	36.3	Very low	155 Å²	155	150.5 Å²	150.5	83%	0.829	83%	0.825	S	S	*	*			trans	-148.6	118.3	157.6	-110.5	-5.7	0	0	0	108.4	C209	N207-C209 PolarHBondContact O-N 2.99Å
208	N	31.5	Very low	36.5	Very low	154 Å²	154	147.8 Å²	147.8	82%	0.824	82%	0.824	S	S	*	*			trans	-74.8	121.7	172.7	-82.9	-21.2	0	0	0	109.5
209	C	30.6	Very low	36.8	Very low	120 Å²	120	149.7 Å²	149.7	81%	0.811	82%	0.824	S	S	*	*			trans	-125.8	95	164.3	-78.7	0	0	0	0	109.2	N207	N207-C209 PolarHBondContact O-N 2.99Å
210	S	30.7	Very low	36.9	Very low	123 Å²	123	147.3 Å²	147.3	86%	0.86	82%	0.824	S	S	*	*			trans	-78.4	126.4	173	-52.6	0	0	0	0	110.2
211	S	40.6	Very low	37	Very low	112 Å²	112	145.8 Å²	145.8	78%	0.783	82%	0.817	S	S	*	*			trans	-138	115.8	168.9	47.6	0	0	0	0	111.8
212	N	36.9	Very low	37.1	Very low	157 Å²	157	148.2 Å²	148.2	84%	0.84	82%	0.819	S	S	*	*			trans	-39.5	139.6	-179.9	-59	-84.2	0	0	0	116
213	L	37.3	Very low	37.3	Very low	185 Å²	185	150.4 Å²	150.4	97%	0.969	82%	0.824	S	S	*	*			trans	-126.9	133	139.4	-139.5	73.2	0	0	0	109.1
214	R	39	Very low	37.4	Very low	248 Å²	248	147.4 Å²	147.4	94%	0.936	82%	0.82	S	S	*	*			trans	-113.1	123.9	-168.3	171.4	-166	-80.4	-157.3	-4.1	109.3
215	G	39.4	Very low	37.4	Very low	65 Å²	65	146.9 Å²	146.9	67%	0.67	82%	0.819	S	S	*	*			trans	-173.1	94.2	178.2	0	0	0	0	0	117.4
216	Q	40.6	Very low	37.7	Very low	207 Å²	207	141.1 Å²	141.1	97%	0.967	81%	0.812	S	S	*	*			trans	68.4	152.5	156.4	-53.5	-173.8	9.9	0	0	118.8
217	A	35.3	Very low	38.3	Very low	92 Å²	92	136.4 Å²	136.4	76%	0.76	81%	0.807	S	S	*	*			trans	-161.4	135.8	-175.6	0	0	0	0	0	113
218	T	41.2	Very low	38.6	Very low	134 Å²	134	134.8 Å²	134.8	82%	0.822	81%	0.808	S	S	*	*			trans	-165	115	161.5	17.4	0	0	0	0	106.1
219	I	41.3	Very low	39.2	Very low	151 Å²	151	131.1 Å²	131.1	77%	0.774	80%	0.799	S	S	*	*				98.3	130.8	54.5	-74.9	167.8	0	0	0	112.5
220	C	35.6	Very low	40	Very low	110 Å²	110	134.6 Å²	134.6	74%	0.743	80%	0.801	S	S	*	*			trans	78.2	94.1	167.4	-73.2	0	0	0	0	122.3
221	S	38.2	Very low	40.5	Very low	106 Å²	106	140.2 Å²	140.2	74%	0.741	80%	0.803	S	S	*	*				56.3	128.3	110.3	-50.7	0	0	0	0	123.5
222	P	41.2	Very low	40.8	Very low	126 Å²	126	139.7 Å²	139.7	82%	0.818	80%	0.799	S	S	*	*			trans	-105.6	146.6	165.3	37.9	-30.2	0	0	0	114.2
223	V	41.4	Very low	41.3	Very low	127 Å²	127	137.5 Å²	137.5	77%	0.77	79%	0.792	S	S	*	*			trans	-147.3	114.1	176.4	-169.9	0	0	0	0	114
224	H	38.9	Very low	41.6	Very low	174 Å²	174	138.1 Å²	138.1	81%	0.806	79%	0.787	S	S	*	*			trans	32.1	152.2	146.5	-68	-101.7	0	0	0	126.1
225	S	41.5	Very low	41.9	Very low	102 Å²	102	131.4 Å²	131.4	71%	0.713	78%	0.778	S	S	*	*			trans	81.3	151.3	146.3	-65.9	0	0	0	0	120.8
226	T	43.4	Very low	42.1	Very low	127 Å²	127	139.1 Å²	139.1	78%	0.779	79%	0.786	S	S	*	*			cis	-166.2	139.9	-23.6	26.2	0	0	0	0	111.4
227	A	42.7	Very low	41.9	Very low	89 Å²	89	135.4 Å²	135.4	74%	0.736	77%	0.773	S	S	*	*			trans	60.8	155.8	142.6	0	0	0	0	0	124.3
228	S	43.5	Very low	42.1	Very low	121 Å²	121	141.8 Å²	141.8	85%	0.846	78%	0.778	S	S	*	*			trans	74.2	147.1	158.6	-68.2	0	0	0	0	120.2
229	A	43.6	Very low	41.8	Very low	78 Å²	78	145.1 Å²	145.1	65%	0.645	78%	0.777	S	S	*	*			cis	-167.5	146	-15	0	0	0	0	0	115.2
230	K	47.1	Very low	41.7	Very low	193 Å²	193	142.2 Å²	142.2	84%	0.839	78%	0.775	S	S	*	*			trans	49.1	117.3	142.3	-61.2	170.3	-178.3	175.7	0	122.6
231	R	41.8	Very low	41.9	Very low	241 Å²	241	144.6 Å²	144.6	91%	0.909	78%	0.78	S	S	*	*				172.5	135.5	120.6	-90.4	159.1	-159.5	-110.4	5.4	109.6
232	S	46.5	Very low	42	Very low	100 Å²	100	147.2 Å²	147.2	70%	0.699	79%	0.785	S	S	*	*				74.5	127	67.6	-147.9	0	0	0	0	112.3
233	T	46.9	Very low	41.9	Very low	112 Å²	112	145.6 Å²	145.6	69%	0.687	78%	0.777	S	S	*	*			cis	-167.5	158.2	8.6	-5.4	0	0	0	0	113.6
234	K	45.4	Very low	41.5	Very low	198 Å²	198	146.9 Å²	146.9	86%	0.861	78%	0.779	S	S	*	*			trans	50.7	124	149.7	-73	170.2	175.7	177.3	0	121.4
235	S	44.9	Very low	41.4	Very low	106 Å²	106	142.3 Å²	142.3	74%	0.741	78%	0.779	S	S	*	*				151.9	121.2	100.1	-165.8	0	0	0	0	117.1
236	R	43	Very low	41	Very low	227 Å²	227	144.5 Å²	144.5	86%	0.857	79%	0.788	S	S	*	*			trans	44.3	126	145.3	-60	177.6	76.2	130	-1.3	123
237	N	37	Very low	40.9	Very low	129 Å²	129	143.9 Å²	143.9	69%	0.69	79%	0.789	S	S	*	*			trans	-47.5	151.4	164.3	-39.7	-1.7	0	0	0	115.7
238	R	39.9	Very low	40.6	Very low	227 Å²	227	145.2 Å²	145.2	86%	0.857	79%	0.793	S	S	*	*				-169.3	172.9	104.4	-103	-178.8	-61.3	177.2	6.8	113.3
239	Y	34.6	Very low	40.3	Very low	203 Å²	203	143.9 Å²	143.9	80%	0.796	79%	0.789	S	S	*	*			trans	-97.8	137.6	-162.3	-36.8	-97.8	0	0	0	113.9
240	A	39.5	Very low	39.9	Very low	91 Å²	91	144.7 Å²	144.7	75%	0.752	80%	0.796	S	S	*	*			trans	-176.3	119.3	152.5	0	0	0	0	0	106.1
241	L	39.1	Very low	39.4	Very low	160 Å²	160	140.6 Å²	140.6	84%	0.838	80%	0.798	S	S	*	*				92.9	119.5	60.4	-85.8	175	0	0	0	114.1
242	L	40	Very low	39.6	Very low	160 Å²	160	138.4 Å²	138.4	84%	0.838	80%	0.795	S	S	*	*			trans	90.7	134.6	153.6	-62.2	166.8	0	0	0	122
243	S	38.9	Very low	39	Very low	93 Å²	93	142.8 Å²	142.8	65%	0.65	80%	0.804	S	S	*	*			trans	54.1	110	158	-74.9	0	0	0	0	124.3
244	D	32.7	Very low	38.7	Very low	154 Å²	154	148.6 Å²	148.6	82%	0.824	81%	0.814	S	S	*	*				59.6	115.1	113.1	-50.1	-49.7	0	0	0	120.6
245	G	37	Very low	38.6	Very low	77 Å²	77	145.2 Å²	145.2	79%	0.794	81%	0.809	S	S	*	*			trans	-170.2	92.1	169.9	0	0	0	0	0	111.8	S247	G245-S247 PolarHBondContact O-N 3.46Å
246	T	34.7	Very low	38.5	Very low	148 Å²	148	145.3 Å²	145.3	91%	0.908	81%	0.807	S	S	*	*			trans	-65.5	123.4	-174.1	42	0	0	0	0	114.1
247	S	39.8	Very low	38.2	Very low	114 Å²	114	140.2 Å²	140.2	80%	0.797	80%	0.802	S	S	*	*			trans	-158.9	134.2	150.7	56.1	0	0	0	0	115.1	G245	G245-S247 PolarHBondContact O-N 3.46Å
248	S	37.6	Very low	38.3	Very low	118 Å²	118	139 Å²	139	83%	0.825	80%	0.795	S	S	*	*			trans	44	131.6	141.7	-146.5	0	0	0	0	124
249	A	35.8	Very low	38.8	Very low	92 Å²	92	136.5 Å²	136.5	76%	0.76	79%	0.791	S	S	*	*			trans	87.1	148	140.6	0	0	0	0	0	122.7
250	A	35.6	Very low	39.3	Very low	95 Å²	95	130.7 Å²	130.7	79%	0.785	78%	0.78	S	S	*	*			trans	67.2	49.4	154.1	0	0	0	0	0	120	K252	A250-K252 PolarHBondContact O-N 3.47Å; A250-K252 VanDerWaalsContact O-N 3.16Å
251	A	36.8	Very low	39.8	Very low	108 Å²	108	133.3 Å²	133.3	89%	0.893	78%	0.781	S	S	*	*			trans	-67.8	107.1	159.6	0	0	0	0	0	111.1
252	K	46.7	Very low	40.5	Very low	194 Å²	194	129 Å²	129	84%	0.843	76%	0.758	S	S	*	*			trans	-81.1	145.3	164.5	-72	-179.1	176.6	179.2	0	109.8	A250 R254	A250-K252 PolarHBondContact O-N 3.47Å; A250-K252 VanDerWaalsContact O-N 3.16Å; K252-R254 PolarHBondContact O-N 3.06Å
253	E	34.4	Very low	40.5	Very low	192 Å²	192	126 Å²	126	90%	0.897	75%	0.75	S	S	*	*			trans	-57.3	134	176.4	-69.5	171.7	102.4	0	0	112.2
254	R	39.8	Very low	40.9	Very low	234 Å²	234	127.1 Å²	127.1	88%	0.883	75%	0.75	S	S	*	*			trans	-137.5	122	155.3	-70.3	-169.1	-179.6	-141.6	2	107.4	K252 P256	K252-R254 PolarHBondContact O-N 3.06Å; R254-P256 WeakPolarHBondContact O-CD 3.34Å
255	V	43.1	Very low	41.8	Very low	127 Å²	127	129.9 Å²	129.9	77%	0.77	75%	0.754	S	S	*	*			trans	-72.7	121.6	170.3	179	0	0	0	0	107.9	T257	V255-T257 PolarHBondContact O-N 3.2Å
256	P	42.6	Very low	42.6	Very low	108 Å²	108	135 Å²	135	70%	0.701	76%	0.757	S	S	*	*			trans	-75.7	111.8	176	-15.2	31.7	0	0	0	110.3	R254 D258	R254-P256 WeakPolarHBondContact O-CD 3.34Å; P256-D258 PolarHBondContact O-N 3.41Å
257	T	37.7	Very low	43.7	Very low	121 Å²	121	129.8 Å²	129.8	74%	0.742	73%	0.725	S	S	*	*			trans	-78.9	56.9	177.7	-27.8	0	0	0	0	111.2	V255 F259	V255-T257 PolarHBondContact O-N 3.2Å; T257-F259 VanDerWaalsContact C-N 3.35Å; T257-F259 VanDerWaalsContact O-CD1 3.26Å; T257-F259 WeakPolarHBondContact O-CD1 3.46Å; T257-F259 PolarHBondContact O-N 3.33Å
258	D	38.1	Very low	45	Very low	103 Å²	103	127.8 Å²	127.8	55%	0.551	71%	0.708	S	S	*	*			trans	-86.7	68	-164.3	-153	-13	0	0	0	113.7	P256 S260	P256-D258 PolarHBondContact O-N 3.41Å; D258-S260 PolarHBondContact O-N 3.37Å; D258-S260 PolarHBondContact OD1-N 3.48Å
259	F	51	Low	46.8	Very low	174 Å²	174	127.1 Å²	127.1	76%	0.763	70%	0.704	S	S	*	*			trans	-80.1	5.5	171.5	69	-90.1	0	0	0	113	T257 L261	T257-F259 VanDerWaalsContact C-N 3.35Å; T257-F259 VanDerWaalsContact O-CD1 3.26Å; T257-F259 WeakPolarHBondContact O-CD1 3.46Å; T257-F259 PolarHBondContact O-N 3.33Å; F259-L261 PolarHBondContact O-N 3.48Å
260	S	43.9	Very low	48.8	Very low	82 Å²	82	125.6 Å²	125.6	57%	0.573	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	4.3	-157.8	-164	0	0	0	0	115.5	D258	D258-S260 PolarHBondContact O-N 3.37Å; D258-S260 PolarHBondContact OD1-N 3.48Å
261	L	51.4	Low	50.8	Low	146 Å²	146	124.8 Å²	124.8	76%	0.764	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	5.4	-178.9	-63.3	-179.7	0	0	0	114.7	F259 S263	F259-L261 PolarHBondContact O-N 3.48Å; L261-S263 PolarHBondContact O-N 3.4Å
262	L	52.9	Low	52.9	Low	68 Å²	68	121.7 Å²	121.7	36%	0.356	64%	0.64	S	S	.	*			trans	-98	66.9	172.6	-68.9	174.2	0	0	0	111.2	L272 P324	L262-L272 HydrophobicContact CD1-CD2 4.35Å; L262-L272 HydrophobicContact CD2-CD2 4.37Å; L262-P324 HydrophobicContact CD2-CG 4.06Å
263	S	40.3	Very low	54.8	Low	97 Å²	97	115.3 Å²	115.3	68%	0.678	62%	0.619	S	S	*	*			trans	-129.5	22.1	179.4	-172	0	0	0	0	114.3	L261	L261-S263 PolarHBondContact O-N 3.4Å
264	D	47.7	Very low	57.4	Low	118 Å²	118	109.2 Å²	109.2	63%	0.631	59%	0.593	S	S	*	*			trans	-82.7	126.2	172.4	-78.9	-40.3	0	0	0	111.9	Q266	D264-Q266 PolarHBondContact O-N 3.48Å
265	K	51.9	Low	60	Low	212 Å²	212	98.2 Å²	98.2	92%	0.922	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.5	34.8	-158.3	-63.2	-176.8	175.5	179.6	0	116.6
266	Q	53.2	Low	62.4	Low	184 Å²	184	97.9 Å²	97.9	86%	0.86	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145.5	2.1	178.4	-146.7	165.3	15.3	0	0	116.2	D264	D264-Q266 PolarHBondContact O-N 3.48Å
267	T	58.1	Low	64.8	Low	38 Å²	38	98.2 Å²	98.2	23%	0.233	54%	0.535	C	S	.	.			trans	-89.2	124.5	171.6	-40.6	0	0	0	0	109.3	Q271 L272 P324	T267-Q271 HydrophobicContact CG2-CB 3.8Å; T267-L272 HydrophobicContact CG2-CD2 3.71Å; T267-L272 HydrophobicContact CG2-CG 3.75Å; T267-P324 HydrophobicContact CG2-CB 4.18Å; T267-P324 VanDerWaalsContact OG1-CB 3.25Å; T267-P324 WeakPolarHBondContact OG1-CB 3.46Å; T267-P324 VanDerWaalsContact OG1-CG 3.29Å; T267-P324 WeakPolarHBondContact OG1-CG 3.45Å
268	T	66.6	Low	67.6	Low	72 Å²	72	92.5 Å²	92.5	44%	0.442	50%	0.5	S	S	.	.			trans	-72.1	154.7	176.2	67.6	0	0	0	0	110.8	A270 Q271 L272	T268-A270 PolarHBondContact O-N 2.78Å; T268-Q271 PolarHBondContact O-N 3.23Å; T268-Q271 VanDerWaalsContact O-N 3.16Å; T268-Q271 WeakPolarHBondContact OG1-CG 3.32Å; T268-Q271 PolarHBondContact OG1-N 2.81Å; T268-Q271 PolarHBondContact OG1-OE1 3.46Å; T268-L272 PolarHBondContact O-N 3.31Å; T268-L272 VanDerWaalsContact O-N 3.14Å
269	S	74.6	Confident	70.3	Confident	105 Å²	105	87.7 Å²	87.7	73%	0.734	47%	0.474	S	S	*	.	H	α-helix	trans	-55.2	-39.3	173.4	47.8	0	0	0	0	111.7	L272 S273	S269-L272 PolarHBondContact O-N 3.28Å; S269-S273 PolarHBondContact O-N 3.31Å; S269-S273 PolarHBondContact O-OG 2.94Å
270	A	77.7	Confident	72.3	Confident	60 Å²	60	84.1 Å²	84.1	50%	0.496	46%	0.46	S	S	.	.	H	α-helix	trans	-59.2	-45.7	175.7	0	0	0	0	0	113.1	T268 L272 S273 D274	T268-A270 PolarHBondContact O-N 2.78Å; A270-L272 VanDerWaalsContact C-N 3.33Å; A270-L272 PolarHBondContact O-N 3.33Å; A270-S273 VanDerWaalsContact CA-OG 3.31Å; A270-S273 WeakPolarHBondContact CA-OG 3.47Å; A270-S273 PolarHBondContact O-N 3.03Å; A270-S273 PolarHBondContact O-OG 3.22Å; A270-D274 PolarHBondContact O-N 3.32Å
271	Q	78	Confident	74.7	Confident	78 Å²	78	81 Å²	81	36%	0.364	44%	0.436	S	S	.	.	H	α-helix	trans	-63.3	-38.2	175.8	-75.7	167.9	-32.9	0	0	112	T267 T268 M275	T267-Q271 HydrophobicContact CG2-CB 3.8Å; T268-Q271 PolarHBondContact O-N 3.23Å; T268-Q271 VanDerWaalsContact O-N 3.16Å; T268-Q271 WeakPolarHBondContact OG1-CG 3.32Å; T268-Q271 PolarHBondContact OG1-N 2.81Å; T268-Q271 PolarHBondContact OG1-OE1 3.46Å; Q271-M275 WeakPolarHBondContact O-CB 3.46Å; Q271-M275 PolarHBondContact O-N 3.22Å
272	L	81.7	Confident	76.9	Confident	43 Å²	43	74 Å²	74	23%	0.225	40%	0.399	C	S	.	.	H	α-helix	trans	-69	-32.8	175.1	-67.5	178.8	0	0	0	112.6	L262 T267 T268 S269 A270 K276	L262-L272 HydrophobicContact CD1-CD2 4.35Å; L262-L272 HydrophobicContact CD2-CD2 4.37Å; T267-L272 HydrophobicContact CG2-CD2 3.71Å; T267-L272 HydrophobicContact CG2-CG 3.75Å; T268-L272 PolarHBondContact O-N 3.31Å; T268-L272 VanDerWaalsContact O-N 3.14Å; S269-L272 PolarHBondContact O-N 3.28Å; A270-L272 VanDerWaalsContact C-N 3.33Å; A270-L272 PolarHBondContact O-N 3.33Å; L272-K276 VanDerWaalsContact O-CG 3.28Å; L272-K276 WeakPolarHBondContact O-CG 3.43Å; L272-K276 PolarHBondContact O-N 3.24Å; L272-K276 VanDerWaalsContact O-N 3.11Å
273	S	86.1	Confident	78.9	Confident	59 Å²	59	74.3 Å²	74.3	41%	0.413	40%	0.396	S	S	.	.	H	α-helix	trans	-71.2	-43.4	172.5	42.7	0	0	0	0	113.1	S269 A270 M275 K276 L277	S269-S273 PolarHBondContact O-N 3.31Å; S269-S273 PolarHBondContact O-OG 2.94Å; A270-S273 VanDerWaalsContact CA-OG 3.31Å; A270-S273 WeakPolarHBondContact CA-OG 3.47Å; A270-S273 PolarHBondContact O-N 3.03Å; A270-S273 PolarHBondContact O-OG 3.22Å; S273-M275 VanDerWaalsContact C-N 3.3Å; S273-M275 PolarHBondContact O-N 3.42Å; S273-K276 WeakPolarHBondContact O-CB 3.38Å; S273-K276 PolarHBondContact O-N 3.31Å; S273-L277 WeakPolarHBondContact O-CG 3.43Å; S273-L277 PolarHBondContact O-N 2.96Å
274	D	89.5	Confident	81.5	Confident	65 Å²	65	76.2 Å²	76.2	35%	0.348	39%	0.388	S	S	.	.	H	α-helix	trans	-63	-36	175.7	167.6	56.1	0	0	0	112.2	A270 F278 K331	A270-D274 PolarHBondContact O-N 3.32Å; D274-F278 WeakPolarHBondContact O-CB 3.36Å; D274-F278 PolarHBondContact O-N 3.45Å; D274-K331 PolarHBondContact O-NZ 3Å; D274-K331 IonicContact OD1-NZ 3.37Å; D274-K331 PolarHBondContact OD1-NZ 3.29Å; D274-K331 IonicContact OD2-NZ 2.89Å; D274-K331 PolarHBondContact OD2-NZ 2.88Å
275	M	94	Very high	83.7	Confident	2 Å²	2	71.6 Å²	71.6	1%	0.01	36%	0.362	C	S	.	.	H	α-helix	trans	-68	-39.5	173.2	-167.3	58	60.2	0	0	112.5	Q271 S273 A279 F317 L320 L327 H328 K331	Q271-M275 WeakPolarHBondContact O-CB 3.46Å; Q271-M275 PolarHBondContact O-N 3.22Å; S273-M275 VanDerWaalsContact C-N 3.3Å; S273-M275 PolarHBondContact O-N 3.42Å; M275-A279 WeakPolarHBondContact O-CB 3.36Å; M275-A279 PolarHBondContact O-N 2.91Å; M275-F317 HydrophobicContact SD-CE2 4.2Å; M275-F317 HydrophobicContact SD-CZ 4.06Å; M275-L320 HydrophobicContact CG-CD2 3.74Å; M275-L327 HydrophobicContact CE-CB 4.07Å; M275-L327 HydrophobicContact CG-CB 4.03Å; M275-L327 HydrophobicContact CG-CD1 4.17Å; M275-L327 HydrophobicContact SD-CB 3.9Å; M275-H328 HydrophobicContact CE-CB 4.4Å; M275-K331 HydrophobicContact CE-CB 3.9Å; M275-K331 HydrophobicContact CE-CD 3.7Å; M275-K331 HydrophobicContact CE-CG 4.42Å; M275-K331 HydrophobicContact SD-CB 4.03Å; M275-K331 HydrophobicContact SD-CD 3.98Å
276	K	93.6	Very high	85.8	Confident	121 Å²	121	61.6 Å²	61.6	53%	0.526	32%	0.318	S	S	.	.	H	α-helix	trans	-62.4	-49.1	173.7	-78.8	171.7	178.9	-175.1	0	112.1	L272 S273 F278 A279 E280 L320	L272-K276 VanDerWaalsContact O-CG 3.28Å; L272-K276 WeakPolarHBondContact O-CG 3.43Å; L272-K276 PolarHBondContact O-N 3.24Å; L272-K276 VanDerWaalsContact O-N 3.11Å; S273-K276 WeakPolarHBondContact O-CB 3.38Å; S273-K276 PolarHBondContact O-N 3.31Å; K276-F278 VanDerWaalsContact C-N 3.32Å; K276-F278 PolarHBondContact O-N 2.88Å; K276-A279 PolarHBondContact O-N 2.8Å; K276-E280 PolarHBondContact O-N 3.12Å; K276-L320 HydrophobicContact CB-CD1 4.31Å; K276-L320 HydrophobicContact CD-CD1 4.48Å; K276-L320 HydrophobicContact CG-CD1 3.36Å
277	L	93.1	Very high	87.6	Confident	115 Å²	115	59 Å²	59	60%	0.602	30%	0.304	S	S	*	.	H	α-helix	trans	-59.1	-44	178.9	-71.3	169.1	0	0	0	111.4	S273 Y281	S273-L277 WeakPolarHBondContact O-CG 3.43Å; S273-L277 PolarHBondContact O-N 2.96Å; L277-Y281 VanDerWaalsContact O-CB 3.32Å; L277-Y281 WeakPolarHBondContact O-CB 3.46Å; L277-Y281 PolarHBondContact O-N 3.26Å
278	F	95.5	Very high	89.2	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-66.1	-42.4	175.6	176.8	-93.6	0	0	0	113.1	D274 K276 E280 Y281 F282 F317 K331 L334 Q335	D274-F278 WeakPolarHBondContact O-CB 3.36Å; D274-F278 PolarHBondContact O-N 3.45Å; K276-F278 VanDerWaalsContact C-N 3.32Å; K276-F278 PolarHBondContact O-N 2.88Å; F278-E280 PolarHBondContact O-N 2.92Å; F278-Y281 PolarHBondContact O-N 2.97Å; F278-F282 HydrophobicContact CE1-CB 4.14Å; F278-F282 HydrophobicContact CZ-CB 4.17Å; F278-F282 HydrophobicContact CZ-CD2 4.27Å; F278-F282 WeakPolarHBondContact O-CB 3.31Å; F278-F282 PolarHBondContact O-N 3.4Å; F278-F317 AromaticContact CD1-CE1 3.82Å; F278-F317 HydrophobicContact CD1-CE1 3.82Å; F278-F317 AromaticContact CD1-CZ 3.66Å; F278-F317 HydrophobicContact CD1-CZ 3.66Å; F278-F317 AromaticContact CE1-CE1 3.62Å; F278-F317 HydrophobicContact CE1-CE1 3.62Å; F278-F317 AromaticContact CE1-CZ 3.58Å; F278-F317 HydrophobicContact CE1-CZ 3.58Å; F278-K331 HydrophobicContact CB-CD 3.93Å; F278-K331 HydrophobicContact CD1-CB 4.11Å; F278-K331 HydrophobicContact CD1-CD 3.88Å; F278-K331 HydrophobicContact CD1-CG 3.65Å; F278-K331 HydrophobicContact CD2-CD 4.35Å; F278-K331 HydrophobicContact CD2-CG 4.2Å; F278-K331 HydrophobicContact CE1-CB 4.11Å; F278-K331 HydrophobicContact CE1-CG 3.84Å; F278-K331 HydrophobicContact CE2-CG 4.38Å; F278-K331 HydrophobicContact CG-CD 3.76Å; F278-K331 HydrophobicContact CG-CG 3.84Å; F278-K331 HydrophobicContact CZ-CG 4.21Å; F278-L334 HydrophobicContact CE1-CB 4.01Å; F278-L334 HydrophobicContact CZ-CB 3.86Å; F278-Q335 HydrophobicContact CE2-CB 4.07Å; F278-Q335 VanDerWaalsContact CE2-OE1 3.24Å; F278-Q335 HydrophobicContact CZ-CB 4.28Å
279	A	95.9	Very high	90.3	Very high	2 Å²	2	58.7 Å²	58.7	2%	0.017	30%	0.295	C	S	.	.	H	α-helix	trans	-63.9	-41.3	-179.6	0	0	0	0	0	112.4	M275 K276 R283 F317 L320	M275-A279 WeakPolarHBondContact O-CB 3.36Å; M275-A279 PolarHBondContact O-N 2.91Å; K276-A279 PolarHBondContact O-N 2.8Å; A279-R283 WeakPolarHBondContact O-CB 3.45Å; A279-R283 PolarHBondContact O-N 3.2Å; A279-F317 HydrophobicContact CB-CE1 4.16Å; A279-L320 HydrophobicContact CB-CD2 3.69Å; A279-L320 HydrophobicContact CB-CG 4.4Å
280	E	93.2	Very high	91.2	Very high	100 Å²	100	56.7 Å²	56.7	47%	0.467	29%	0.291	S	S	.	.	H	α-helix	trans	-69	-41.3	174.3	-72	-58.3	148.4	0	0	112.5	K276 F278 R283 R284	K276-E280 PolarHBondContact O-N 3.12Å; F278-E280 PolarHBondContact O-N 2.92Å; E280-R283 PolarHBondContact O-N 3.08Å; E280-R284 WeakPolarHBondContact O-CB 3.33Å; E280-R284 PolarHBondContact O-N 2.87Å
281	Y	94.2	Very high	92	Very high	16 Å²	16	57.3 Å²	57.3	6%	0.063	28%	0.282	C	S	.	.	H	α-helix	trans	-59.5	-51.8	173.8	175.1	-120	0	0	0	111.3	L277 F278 R283 R284 R285 L338 E342 Y403 P437 L439	L277-Y281 VanDerWaalsContact O-CB 3.32Å; L277-Y281 WeakPolarHBondContact O-CB 3.46Å; L277-Y281 PolarHBondContact O-N 3.26Å; F278-Y281 PolarHBondContact O-N 2.97Å; Y281-R283 PolarHBondContact O-N 3.45Å; Y281-R284 PolarHBondContact O-N 3.5Å; Y281-R285 HydrophobicContact CE2-CB 4.04Å; Y281-R285 HydrophobicContact CE2-CG 4.26Å; Y281-R285 VanDerWaalsContact O-CB 3.31Å; Y281-R285 WeakPolarHBondContact O-CB 3.36Å; Y281-R285 PolarHBondContact O-N 2.63Å; Y281-L338 HydrophobicContact CD1-CD2 3.99Å; Y281-L338 HydrophobicContact CE1-CD2 3.44Å; Y281-L338 VanDerWaalsContact CE1-CD2 3.44Å; Y281-E342 PolarHBondContact OH-OE2 3.17Å; Y281-Y403 PolarHBondContact OH-OH 2.83Å; Y281-P437 HydrophobicContact CD2-CB 4.33Å; Y281-P437 HydrophobicContact CE2-CB 3.66Å; Y281-P437 HydrophobicContact CE2-CG 3.9Å; Y281-L439 HydrophobicContact CE1-CD1 4.29Å
282	F	96.7	Very high	92.9	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-56.4	-49.1	177.7	175.3	-89.7	0	0	0	111.6	F278 R284 R285 R286 V296 I314 E318 L334 W337 L338	F278-F282 HydrophobicContact CE1-CB 4.14Å; F278-F282 HydrophobicContact CZ-CB 4.17Å; F278-F282 HydrophobicContact CZ-CD2 4.27Å; F278-F282 WeakPolarHBondContact O-CB 3.31Å; F278-F282 PolarHBondContact O-N 3.4Å; F282-R284 PolarHBondContact O-N 3Å; F282-R285 PolarHBondContact O-N 2.94Å; F282-R286 HydrophobicContact CE1-CB 4.39Å; F282-R286 HydrophobicContact CZ-CB 4.44Å; F282-R286 WeakPolarHBondContact O-CB 3.32Å; F282-R286 PolarHBondContact O-N 2.72Å; F282-V296 HydrophobicContact CZ-CG1 3.97Å; F282-V296 HydrophobicContact CZ-CG2 4.38Å; F282-I314 HydrophobicContact CE1-CG2 4.13Å; F282-E318 HydrophobicContact CD1-CG 4.37Å; F282-L334 HydrophobicContact CD2-CB 4.06Å; F282-L334 HydrophobicContact CD2-CD2 4.38Å; F282-L334 HydrophobicContact CE1-CD2 4.17Å; F282-L334 HydrophobicContact CE2-CB 4.01Å; F282-L334 HydrophobicContact CE2-CD2 3.64Å; F282-L334 HydrophobicContact CE2-CG 4.39Å; F282-L334 HydrophobicContact CZ-CD2 3.55Å; F282-W337 AromaticContact CE2-CE3 3.73Å; F282-W337 HydrophobicContact CE2-CE3 3.73Å; F282-W337 AromaticContact CE2-CZ3 3.84Å; F282-W337 HydrophobicContact CE2-CZ3 3.84Å; F282-W337 HydrophobicContact CZ-CE3 4.26Å; F282-W337 HydrophobicContact CZ-CZ3 4.15Å; F282-L338 HydrophobicContact CD2-CD1 4.39Å; F282-L338 HydrophobicContact CD2-CD2 4.31Å
283	R	96.1	Very high	93.6	Very high	73 Å²	73	56.7 Å²	56.7	28%	0.275	28%	0.282	S	S	.	.	H	α-helix	trans	-57.4	-50.6	179	179.4	-177.5	-176.9	136.5	0.4	111.2	A279 E280 Y281 F287 E318 H319	A279-R283 WeakPolarHBondContact O-CB 3.45Å; A279-R283 PolarHBondContact O-N 3.2Å; E280-R283 PolarHBondContact O-N 3.08Å; Y281-R283 PolarHBondContact O-N 3.45Å; R283-F287 HydrophobicContact CG-CD2 4.33Å; R283-F287 HydrophobicContact CG-CE2 4.04Å; R283-F287 WeakPolarHBondContact O-CD2 3.45Å; R283-F287 PolarHBondContact O-N 2.89Å; R283-E318 HydrophobicContact CB-CG 4.19Å; R283-E318 HydrophobicContact CG-CG 4.4Å; R283-E318 PolarHBondContact NH1-O 3.26Å; R283-H319 PolarHBondContact NH1-CE1 3.39Å; R283-H319 PolarHBondContact NH1-NE2 3.43Å
284	R	94.5	Very high	94.1	Very high	137 Å²	137	60.6 Å²	60.6	52%	0.517	29%	0.292	S	S	.	.	H	α-helix	trans	-59.8	-53.6	178	-173.6	-169.6	-59.6	143.6	6.5	110.9	E280 Y281 F282 R286 F287 E288	E280-R284 WeakPolarHBondContact O-CB 3.33Å; E280-R284 PolarHBondContact O-N 2.87Å; Y281-R284 PolarHBondContact O-N 3.5Å; F282-R284 PolarHBondContact O-N 3Å; R284-R286 VanDerWaalsContact C-N 3.35Å; R284-R286 PolarHBondContact O-N 2.8Å; R284-F287 WeakPolarHBondContact O-CB 3.35Å; R284-F287 PolarHBondContact O-N 2.89Å; R284-E288 WeakPolarHBondContact CD-OE1 3.46Å; R284-E288 VanDerWaalsContact CG-OE1 3.29Å; R284-E288 WeakPolarHBondContact CG-OE1 3.45Å; R284-E288 PolarHBondContact O-N 2.62Å
285	R	93.7	Very high	94.4	Very high	22 Å²	22	60.9 Å²	60.9	8%	0.083	29%	0.293	C	S	.	.	H	α-helix	trans	-66.4	-35.7	-174.1	-164.4	57.4	167	163.1	2.1	112.4	Y281 F282 F287 E288 L289 L338 E342	Y281-R285 HydrophobicContact CE2-CB 4.04Å; Y281-R285 HydrophobicContact CE2-CG 4.26Å; Y281-R285 VanDerWaalsContact O-CB 3.31Å; Y281-R285 WeakPolarHBondContact O-CB 3.36Å; Y281-R285 PolarHBondContact O-N 2.63Å; F282-R285 PolarHBondContact O-N 2.94Å; R285-F287 VanDerWaalsContact C-N 3.3Å; R285-F287 PolarHBondContact O-N 3.4Å; R285-E288 WeakPolarHBondContact CD-OE2 3.5Å; R285-E288 IonicContact CZ-OE2 3.92Å; R285-E288 IonicContact NE-OE2 2.62Å; R285-E288 IonicContact NH1-OE2 2.84Å; R285-E288 PolarHBondContact NH1-OE2 2.66Å; R285-E288 PolarHBondContact O-N 3.01Å; R285-L289 HydrophobicContact CG-CD1 4.09Å; R285-L289 HydrophobicContact CG-CG 4.36Å; R285-L289 WeakPolarHBondContact O-CB 3.45Å; R285-L289 WeakPolarHBondContact O-CG 3.4Å; R285-L289 PolarHBondContact O-N 2.93Å; R285-L338 HydrophobicContact CB-CD1 4.02Å; R285-L338 HydrophobicContact CB-CD2 4.36Å; R285-L338 HydrophobicContact CG-CD1 3.85Å; R285-L338 HydrophobicContact CG-CD2 4.39Å; R285-L338 HydrophobicContact CG-CG 4.4Å; R285-E342 HydrophobicContact CG-CG 4.23Å; R285-E342 IonicContact CZ-OE1 2.7Å; R285-E342 VanDerWaalsContact NE-CD 3.3Å; R285-E342 IonicContact NE-OE1 3.49Å; R285-E342 PolarHBondContact NE-OE1 3.17Å; R285-E342 IonicContact NE-OE2 3.48Å; R285-E342 IonicContact NH2-OE1 3.45Å; R285-E342 PolarHBondContact NH2-OE1 3.39Å
286	R	95.6	Very high	94.6	Very high	2 Å²	2	60.8 Å²	60.8	1%	0.008	29%	0.293	C	S	.	.	H	α-helix	trans	-56.4	-42.4	170.5	-174.7	-172	56.3	57.1	1.6	112	F282 R284 G290 Y291 V296 E318	F282-R286 HydrophobicContact CE1-CB 4.39Å; F282-R286 HydrophobicContact CZ-CB 4.44Å; F282-R286 WeakPolarHBondContact O-CB 3.32Å; F282-R286 PolarHBondContact O-N 2.72Å; R284-R286 VanDerWaalsContact C-N 3.35Å; R284-R286 PolarHBondContact O-N 2.8Å; R286-G290 PolarHBondContact O-N 3.04Å; R286-Y291 WeakPolarHBondContact CG-O 3.43Å; R286-Y291 PolarHBondContact NH1-O 2.82Å; R286-Y291 PolarHBondContact O-N 3.04Å; R286-V296 HydrophobicContact CG-CG2 3.8Å; R286-E318 IonicContact CZ-OE1 3.6Å; R286-E318 IonicContact NE-OE1 2.88Å; R286-E318 PolarHBondContact NE-OE1 3.39Å; R286-E318 IonicContact NH2-OE1 3.24Å; R286-E318 PolarHBondContact NH2-OE1 3.09Å; R286-E318 IonicContact NH2-OE2 2.7Å; R286-E318 PolarHBondContact NH2-OE2 2.97Å
287	F	92.1	Very high	94.7	Very high	128 Å²	128	55.2 Å²	55.2	56%	0.561	27%	0.269	S	S	*	.	H	α-helix	trans	-70.8	-42.9	176	-75.6	-63.3	0	0	0	112.6	R283 R284 R285 L289 G290	R283-F287 HydrophobicContact CG-CD2 4.33Å; R283-F287 HydrophobicContact CG-CE2 4.04Å; R283-F287 WeakPolarHBondContact O-CD2 3.45Å; R283-F287 PolarHBondContact O-N 2.89Å; R284-F287 WeakPolarHBondContact O-CB 3.35Å; R284-F287 PolarHBondContact O-N 2.89Å; R285-F287 VanDerWaalsContact C-N 3.3Å; R285-F287 PolarHBondContact O-N 3.4Å; F287-L289 VanDerWaalsContact C-N 3.31Å; F287-L289 PolarHBondContact O-N 2.78Å; F287-G290 PolarHBondContact O-N 2.76Å
288	E	90.6	Very high	94.7	Very high	88 Å²	88	52.6 Å²	52.6	41%	0.411	27%	0.265	S	S	.	.	H	α-helix	trans	-58.4	-41.2	176.7	-70	172	-168.8	0	0	112.6	R284 R285 G290	R284-E288 WeakPolarHBondContact CD-OE1 3.46Å; R284-E288 VanDerWaalsContact CG-OE1 3.29Å; R284-E288 WeakPolarHBondContact CG-OE1 3.45Å; R284-E288 PolarHBondContact O-N 2.62Å; R285-E288 WeakPolarHBondContact CD-OE2 3.5Å; R285-E288 IonicContact CZ-OE2 3.92Å; R285-E288 IonicContact NE-OE2 2.62Å; R285-E288 IonicContact NH1-OE2 2.84Å; R285-E288 PolarHBondContact NH1-OE2 2.66Å; R285-E288 PolarHBondContact O-N 3.01Å; E288-G290 PolarHBondContact O-N 2.85Å
289	L	90.3	Very high	94.7	Very high	16 Å²	16	54.6 Å²	54.6	8%	0.084	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-5.6	176.6	-62.2	171.9	0	0	0	113.4	R285 F287 Y291 L338 A341 E342 H345	R285-L289 HydrophobicContact CG-CD1 4.09Å; R285-L289 HydrophobicContact CG-CG 4.36Å; R285-L289 WeakPolarHBondContact O-CB 3.45Å; R285-L289 WeakPolarHBondContact O-CG 3.4Å; R285-L289 PolarHBondContact O-N 2.93Å; F287-L289 VanDerWaalsContact C-N 3.31Å; F287-L289 PolarHBondContact O-N 2.78Å; L289-Y291 HydrophobicContact CB-CD2 3.62Å; L289-Y291 HydrophobicContact CB-CE2 3.85Å; L289-L338 HydrophobicContact CD1-CD1 4.06Å; L289-A341 HydrophobicContact CD1-CB 3.82Å; L289-E342 HydrophobicContact CD1-CG 3.85Å; L289-E342 HydrophobicContact CD2-CG 4.39Å; L289-H345 HydrophobicContact CD2-CB 3.61Å; L289-H345 WeakPolarHBondContact CD2-ND1 3.39Å
290	G	92.3	Very high	94.6	Very high	63 Å²	63	54.6 Å²	54.6	65%	0.649	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	14.6	176.3	0	0	0	0	0	116.2	R286 F287 E288	R286-G290 PolarHBondContact O-N 3.04Å; F287-G290 PolarHBondContact O-N 2.76Å; E288-G290 PolarHBondContact O-N 2.85Å
291	Y	95.5	Very high	94.6	Very high	74 Å²	74	51.8 Å²	51.8	29%	0.29	27%	0.274	S	S	.	.			trans	-87	135.8	-179.6	-70	-87.7	0	0	0	112.3	R286 L289 D295 W337 A341	R286-Y291 WeakPolarHBondContact CG-O 3.43Å; R286-Y291 PolarHBondContact NH1-O 2.82Å; R286-Y291 PolarHBondContact O-N 3.04Å; L289-Y291 HydrophobicContact CB-CD2 3.62Å; L289-Y291 HydrophobicContact CB-CE2 3.85Å; Y291-D295 HydrophobicContact CD1-CB 4Å; Y291-W337 HydrophobicContact CD1-CH2 4.28Å; Y291-W337 AromaticContact CD1-CZ2 3.85Å; Y291-W337 HydrophobicContact CD1-CZ2 3.85Å; Y291-W337 AromaticContact CD2-CH2 3.78Å; Y291-W337 HydrophobicContact CD2-CH2 3.78Å; Y291-W337 HydrophobicContact CD2-CZ2 4.08Å; Y291-W337 HydrophobicContact CE1-CZ2 4.07Å; Y291-W337 HydrophobicContact CE2-CH2 4.27Å; Y291-W337 HydrophobicContact CE2-CZ2 4.31Å; Y291-W337 AromaticContact CG-CH2 3.79Å; Y291-W337 HydrophobicContact CG-CH2 3.79Å; Y291-W337 AromaticContact CG-CZ2 3.85Å; Y291-W337 HydrophobicContact CG-CZ2 3.85Å; Y291-A341 HydrophobicContact CE2-CB 3.87Å
292	T	96.5	Very high	94.4	Very high	71 Å²	71	58.5 Å²	58.5	44%	0.436	31%	0.307	S	S	.	.			trans	-81.1	159.5	167	76.8	0	0	0	0	110.8	K294 D295 V296	T292-K294 PolarHBondContact O-N 3.48Å; T292-K294 VanDerWaalsContact O-N 3.08Å; T292-K294 PolarHBondContact OG1-N 3.36Å; T292-D295 WeakPolarHBondContact CA-OD2 3.35Å; T292-D295 VanDerWaalsContact CB-OD2 3.22Å; T292-D295 WeakPolarHBondContact CB-OD2 3.44Å; T292-D295 WeakPolarHBondContact CG2-OD2 3.29Å; T292-D295 PolarHBondContact N-OD2 2.72Å; T292-D295 PolarHBondContact O-N 3.38Å; T292-D295 PolarHBondContact OG1-N 3.38Å; T292-D295 PolarHBondContact OG1-OD2 3.45Å; T292-V296 PolarHBondContact O-N 3.05Å
293	Q	96.9	Very high	94.1	Very high	37 Å²	37	63.5 Å²	63.5	17%	0.173	33%	0.33	C	S	.	.	H	α-helix	trans	-53.7	-26.5	170.5	-70.6	170.8	-17.5	0	0	113.2	A297 Q311 I314 E318	Q293-A297 WeakPolarHBondContact O-CB 3.31Å; Q293-A297 PolarHBondContact O-N 3.3Å; Q293-A297 VanDerWaalsContact O-N 3.16Å; Q293-Q311 HydrophobicContact CB-CG 3.51Å; Q293-I314 HydrophobicContact CB-CB 4.21Å; Q293-I314 HydrophobicContact CB-CG2 4.26Å; Q293-I314 HydrophobicContact CG-CB 4.37Å; Q293-I314 HydrophobicContact CG-CG2 4.08Å; Q293-E318 PolarHBondContact NE2-OE2 3.17Å
294	K	96.1	Very high	93.8	Very high	140 Å²	140	62.1 Å²	62.1	61%	0.609	33%	0.325	S	S	*	.	H	α-helix	trans	-75	-38.9	177.4	-176.4	-175.3	175	-174.5	0	111.6	T292 A297 A298 Q311	T292-K294 PolarHBondContact O-N 3.48Å; T292-K294 VanDerWaalsContact O-N 3.08Å; T292-K294 PolarHBondContact OG1-N 3.36Å; K294-A297 PolarHBondContact O-N 3.06Å; K294-A298 WeakPolarHBondContact O-CB 3.19Å; K294-A298 PolarHBondContact O-N 2.87Å; K294-Q311 HydrophobicContact CB-CB 4.5Å; K294-Q311 HydrophobicContact CB-CG 4.42Å
295	D	96.7	Very high	93.3	Very high	71 Å²	71	66.2 Å²	66.2	38%	0.38	34%	0.34	S	S	.	.	H	α-helix	trans	-68.8	-40.6	-179.7	-50.3	-50.8	0	0	0	110.7	Y291 T292 A298 A299	Y291-D295 HydrophobicContact CD1-CB 4Å; T292-D295 WeakPolarHBondContact CA-OD2 3.35Å; T292-D295 VanDerWaalsContact CB-OD2 3.22Å; T292-D295 WeakPolarHBondContact CB-OD2 3.44Å; T292-D295 WeakPolarHBondContact CG2-OD2 3.29Å; T292-D295 PolarHBondContact N-OD2 2.72Å; T292-D295 PolarHBondContact O-N 3.38Å; T292-D295 PolarHBondContact OG1-N 3.38Å; T292-D295 PolarHBondContact OG1-OD2 3.45Å; D295-A298 PolarHBondContact O-N 3.14Å; D295-A299 WeakPolarHBondContact O-CB 3.32Å; D295-A299 PolarHBondContact O-N 3.28Å
296	V	96.9	Very high	93	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-60.1	-48.2	170.7	-177.8	0	0	0	0	111.1	F282 R286 T292 A298 A299 L300 I314 L334 W337	F282-V296 HydrophobicContact CZ-CG1 3.97Å; F282-V296 HydrophobicContact CZ-CG2 4.38Å; R286-V296 HydrophobicContact CG-CG2 3.8Å; T292-V296 PolarHBondContact O-N 3.05Å; V296-A298 VanDerWaalsContact C-N 3.33Å; V296-A298 PolarHBondContact O-N 3.21Å; V296-A299 PolarHBondContact O-N 3.38Å; V296-L300 HydrophobicContact CG1-CD1 3.8Å; V296-L300 HydrophobicContact CG1-CG 4.32Å; V296-L300 WeakPolarHBondContact O-CB 3.49Å; V296-L300 WeakPolarHBondContact O-CG 3.41Å; V296-L300 PolarHBondContact O-N 3.4Å; V296-I314 HydrophobicContact CB-CG1 4.41Å; V296-I314 HydrophobicContact CG1-CD1 3.92Å; V296-I314 HydrophobicContact CG1-CG1 4.29Å; V296-L334 HydrophobicContact CG1-CD2 4.1Å; V296-W337 HydrophobicContact CB-CZ2 4.39Å; V296-W337 HydrophobicContact CG1-CD2 4.15Å; V296-W337 HydrophobicContact CG1-CE3 4.29Å; V296-W337 HydrophobicContact CG2-CE3 4.5Å; V296-W337 HydrophobicContact CG2-CH2 3.56Å; V296-W337 HydrophobicContact CG2-CZ2 3.66Å; V296-W337 HydrophobicContact CG2-CZ3 3.99Å
297	A	96.1	Very high	92.4	Very high	4 Å²	4	72.1 Å²	72.1	3%	0.033	37%	0.373	C	S	.	.	H	α-helix	trans	-59.8	-43.1	-179.9	0	0	0	0	0	112.1	Q293 K294 A301 Y309 T310 I314	Q293-A297 WeakPolarHBondContact O-CB 3.31Å; Q293-A297 PolarHBondContact O-N 3.3Å; Q293-A297 VanDerWaalsContact O-N 3.16Å; K294-A297 PolarHBondContact O-N 3.06Å; A297-A301 WeakPolarHBondContact O-CB 3.37Å; A297-A301 PolarHBondContact O-N 3.2Å; A297-Y309 WeakPolarHBondContact O-CB 3.22Å; A297-T310 VanDerWaalsContact CB-C 3.47Å; A297-I314 HydrophobicContact CB-CG1 4.01Å
298	A	93.9	Very high	92	Very high	61 Å²	61	74.2 Å²	74.2	50%	0.504	39%	0.385	S	S	.	.	H	α-helix	trans	-64.4	-46.4	176.6	0	0	0	0	0	112.3	K294 D295 V296 L300 A301 E302	K294-A298 WeakPolarHBondContact O-CB 3.19Å; K294-A298 PolarHBondContact O-N 2.87Å; D295-A298 PolarHBondContact O-N 3.14Å; V296-A298 VanDerWaalsContact C-N 3.33Å; V296-A298 PolarHBondContact O-N 3.21Å; A298-L300 VanDerWaalsContact C-N 3.34Å; A298-L300 PolarHBondContact O-N 3.16Å; A298-A301 PolarHBondContact O-N 3.14Å; A298-E302 PolarHBondContact O-N 3.31Å; A298-E302 VanDerWaalsContact O-N 3.14Å
299	A	94.6	Very high	92.1	Very high	41 Å²	41	70.6 Å²	70.6	34%	0.339	37%	0.367	S	S	.	.	H	α-helix	trans	-62.8	-38.9	178.1	0	0	0	0	0	112.6	D295 V296 E303 W337	D295-A299 WeakPolarHBondContact O-CB 3.32Å; D295-A299 PolarHBondContact O-N 3.28Å; V296-A299 PolarHBondContact O-N 3.38Å; A299-E303 PolarHBondContact O-N 3.5Å; A299-W337 VanDerWaalsContact CB-NE1 3.34Å
300	L	94.7	Very high	92.2	Very high	2 Å²	2	72.8 Å²	72.8	1%	0.01	38%	0.382	C	S	.	.	H	α-helix	trans	-71.3	-30.5	174.9	-71.5	173.7	0	0	0	113	V296 A298 Y304 Y309 I314 L334 W337	V296-L300 HydrophobicContact CG1-CD1 3.8Å; V296-L300 HydrophobicContact CG1-CG 4.32Å; V296-L300 WeakPolarHBondContact O-CB 3.49Å; V296-L300 WeakPolarHBondContact O-CG 3.41Å; V296-L300 PolarHBondContact O-N 3.4Å; A298-L300 VanDerWaalsContact C-N 3.34Å; A298-L300 PolarHBondContact O-N 3.16Å; L300-Y304 HydrophobicContact CB-CD2 4.48Å; L300-Y304 HydrophobicContact CD2-CD2 3.77Å; L300-Y304 HydrophobicContact CD2-CE2 3.72Å; L300-Y304 WeakPolarHBondContact O-CA 3.49Å; L300-Y304 VanDerWaalsContact O-CB 3.28Å; L300-Y304 WeakPolarHBondContact O-CB 3.33Å; L300-Y304 PolarHBondContact O-N 3.4Å; L300-Y309 HydrophobicContact CB-CD1 4.08Å; L300-Y309 HydrophobicContact CB-CD2 3.87Å; L300-Y309 HydrophobicContact CB-CG 3.61Å; L300-Y309 HydrophobicContact CD1-CD1 3.73Å; L300-Y309 HydrophobicContact CD1-CE1 4.16Å; L300-Y309 HydrophobicContact CD1-CG 4.15Å; L300-I314 HydrophobicContact CD1-CD1 3.92Å; L300-L334 HydrophobicContact CD1-CD2 3.66Å; L300-L334 HydrophobicContact CD1-CG 4.46Å; L300-W337 HydrophobicContact CD2-CB 3.84Å; L300-W337 HydrophobicContact CD2-CG 4.24Å; L300-W337 HydrophobicContact CG-CG 4.5Å
301	A	92.1	Very high	92.3	Very high	41 Å²	41	74.5 Å²	74.5	34%	0.339	37%	0.373	S	S	.	.	H	α-helix	trans	-73.1	-29.3	176.8	0	0	0	0	0	113	A297 A298	A297-A301 WeakPolarHBondContact O-CB 3.37Å; A297-A301 PolarHBondContact O-N 3.2Å; A298-A301 PolarHBondContact O-N 3.14Å
302	E	90.2	Very high	92.4	Very high	158 Å²	158	75.1 Å²	75.1	74%	0.738	39%	0.386	S	S	*	.	H	α-helix	trans	-67.2	-47.7	172.9	-167.1	75.5	-142.9	0	0	111.1	A298	A298-E302 PolarHBondContact O-N 3.31Å; A298-E302 VanDerWaalsContact O-N 3.14Å
303	E	89.6	Confident	92.3	Very high	105 Å²	105	72.3 Å²	72.3	49%	0.491	37%	0.369	S	S	.	.	H	α-helix	trans	-72.1	-48.2	179.5	176.9	73.3	178	0	0	112.6	A299 K336	A299-E303 PolarHBondContact O-N 3.5Å; E303-K336 IonicContact OE1-NZ 2.85Å; E303-K336 PolarHBondContact OE1-NZ 3.37Å
304	Y	90.8	Very high	92.3	Very high	43 Å²	43	70.5 Å²	70.5	17%	0.169	36%	0.361	C	S	.	.			trans	-110.4	74.9	-170.1	-62.4	-72.3	0	0	0	112.4	L300 D306 I307 R333 K336	L300-Y304 HydrophobicContact CB-CD2 4.48Å; L300-Y304 HydrophobicContact CD2-CD2 3.77Å; L300-Y304 HydrophobicContact CD2-CE2 3.72Å; L300-Y304 WeakPolarHBondContact O-CA 3.49Å; L300-Y304 VanDerWaalsContact O-CB 3.28Å; L300-Y304 WeakPolarHBondContact O-CB 3.33Å; L300-Y304 PolarHBondContact O-N 3.4Å; Y304-D306 PolarHBondContact O-N 3.44Å; Y304-I307 PolarHBondContact O-N 3.05Å; Y304-R333 HydrophobicContact CD1-CG 4.35Å; Y304-R333 HydrophobicContact CD2-CB 4.28Å; Y304-R333 HydrophobicContact CD2-CG 4.35Å; Y304-R333 HydrophobicContact CE1-CG 3.86Å; Y304-R333 HydrophobicContact CE2-CB 3.66Å; Y304-R333 HydrophobicContact CE2-CG 3.85Å; Y304-K336 WeakPolarHBondContact OH-CD 3.44Å
305	R	84.4	Confident	92.3	Very high	223 Å²	223	65 Å²	65	84%	0.842	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	9.1	179	-64.5	-174.5	-71.2	-152.3	-5.9	115.5
306	D	86	Confident	92.3	Very high	98 Å²	98	66.9 Å²	66.9	52%	0.524	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-21.3	176.4	71.7	-41.3	0	0	0	113.5	Y304 R333	Y304-D306 PolarHBondContact O-N 3.44Å; D306-R333 IonicContact OD1-CZ 3.76Å; D306-R333 IonicContact OD1-NH1 3.59Å; D306-R333 PolarHBondContact OD1-NH1 3.19Å; D306-R333 IonicContact OD1-NH2 3.86Å; D306-R333 PolarHBondContact OD1-NH2 2.83Å; D306-R333 IonicContact OD2-CZ 2.66Å; D306-R333 IonicContact OD2-NH1 3.68Å; D306-R333 PolarHBondContact OD2-NH1 3.31Å; D306-R333 IonicContact OD2-NH2 2.78Å; D306-R333 PolarHBondContact OD2-NH2 3.19Å
307	I	83.1	Confident	92.3	Very high	50 Å²	50	66.9 Å²	66.9	26%	0.256	35%	0.346	S	S	.	.	S	Bend	trans	-143.8	127.9	-177.9	-57.8	175	0	0	0	109.5	Y304 Y309 R326	Y304-I307 PolarHBondContact O-N 3.05Å; I307-Y309 HydrophobicContact CB-CE2 4.05Å; I307-Y309 HydrophobicContact CG2-CE2 4.35Å; I307-Y309 WeakPolarHBondContact O-CD2 3.35Å; I307-Y309 WeakPolarHBondContact O-CE2 3.33Å; I307-Y309 PolarHBondContact O-N 2.9Å; I307-R326 VanDerWaalsContact CD1-NH1 3.27Å
308	E	85.5	Confident	92.4	Very high	173 Å²	173	66.9 Å²	66.9	81%	0.808	35%	0.345	S	S	*	.			trans	-67	101.9	177.2	-65.6	-174.9	174.8	0	0	112.1	T310	E308-T310 PolarHBondContact O-N 3.06Å
309	Y	91	Very high	92.4	Very high	11 Å²	11	68.3 Å²	68.3	4%	0.043	34%	0.342	C	S	.	.			trans	-77.1	121.4	169.4	-72.9	-88.5	0	0	0	110.2	A297 L300 I307 I314 R326 M330 R333	A297-Y309 WeakPolarHBondContact O-CB 3.22Å; L300-Y309 HydrophobicContact CB-CD1 4.08Å; L300-Y309 HydrophobicContact CB-CD2 3.87Å; L300-Y309 HydrophobicContact CB-CG 3.61Å; L300-Y309 HydrophobicContact CD1-CD1 3.73Å; L300-Y309 HydrophobicContact CD1-CE1 4.16Å; L300-Y309 HydrophobicContact CD1-CG 4.15Å; I307-Y309 HydrophobicContact CB-CE2 4.05Å; I307-Y309 HydrophobicContact CG2-CE2 4.35Å; I307-Y309 WeakPolarHBondContact O-CD2 3.35Å; I307-Y309 WeakPolarHBondContact O-CE2 3.33Å; I307-Y309 PolarHBondContact O-N 2.9Å; Y309-I314 HydrophobicContact CD1-CD1 4.28Å; Y309-R326 PolarHBondContact OH-NH1 2.98Å; Y309-R326 PolarHBondContact OH-NH2 2.86Å; Y309-M330 HydrophobicContact CD1-CE 4.49Å; Y309-M330 HydrophobicContact CE1-CE 4.03Å; Y309-M330 HydrophobicContact CE1-CG 4.37Å; Y309-R333 VanDerWaalsContact OH-CD 3.29Å; Y309-R333 WeakPolarHBondContact OH-CD 3.31Å; Y309-R333 PolarHBondContact OH-NH1 3.49Å
310	T	93.1	Very high	92.4	Very high	63 Å²	63	67.5 Å²	67.5	39%	0.387	33%	0.332	S	S	.	.			trans	-126.1	156.6	-177.2	57.5	0	0	0	0	110	A297 E308 P312 S313 I314	A297-T310 VanDerWaalsContact CB-C 3.47Å; E308-T310 PolarHBondContact O-N 3.06Å; T310-P312 VanDerWaalsContact C-N 3.34Å; T310-S313 PolarHBondContact N-OG 3.21Å; T310-S313 WeakPolarHBondContact O-CA 3.09Å; T310-S313 WeakPolarHBondContact O-CB 3.49Å; T310-S313 PolarHBondContact O-N 3.24Å; T310-S313 PolarHBondContact O-OG 2.92Å; T310-I314 PolarHBondContact O-N 3.1Å
311	Q	94.9	Very high	92.4	Very high	99 Å²	99	73.3 Å²	73.3	46%	0.463	36%	0.358	S	S	.	.	H	α-helix	trans	-52.5	-44.3	177.6	-169.4	-162.8	-23.6	0	0	113	Q293 K294 S313 I314 A315	Q293-Q311 HydrophobicContact CB-CG 3.51Å; K294-Q311 HydrophobicContact CB-CB 4.5Å; K294-Q311 HydrophobicContact CB-CG 4.42Å; Q311-S313 PolarHBondContact O-N 2.94Å; Q311-I314 PolarHBondContact O-N 3.27Å; Q311-A315 PolarHBondContact O-N 2.96Å
312	P	96.1	Very high	92.4	Very high	86 Å²	86	73.7 Å²	73.7	56%	0.558	35%	0.352	S	S	*	.	H	α-helix	trans	-63.7	-25.5	174.4	-22.9	36.4	0	0	0	113.9	T310 K316	T310-P312 VanDerWaalsContact C-N 3.34Å; P312-K316 WeakPolarHBondContact O-CB 3.46Å; P312-K316 WeakPolarHBondContact O-CG 3.29Å; P312-K316 PolarHBondContact O-N 2.87Å
313	S	95.3	Very high	92.5	Very high	12 Å²	12	69.3 Å²	69.3	8%	0.084	34%	0.339	C	S	.	.	H	α-helix	trans	-70.8	-40.2	175.3	76.3	0	0	0	0	112	T310 Q311 K316 F317 F322	T310-S313 PolarHBondContact N-OG 3.21Å; T310-S313 WeakPolarHBondContact O-CA 3.09Å; T310-S313 WeakPolarHBondContact O-CB 3.49Å; T310-S313 PolarHBondContact O-N 3.24Å; T310-S313 PolarHBondContact O-OG 2.92Å; Q311-S313 PolarHBondContact O-N 2.94Å; S313-K316 PolarHBondContact O-N 2.94Å; S313-F317 PolarHBondContact O-N 2.83Å; S313-F322 VanDerWaalsContact O-CE2 3.3Å; S313-F322 WeakPolarHBondContact O-CE2 3.5Å
314	I	96.8	Very high	92.5	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-65.9	-44.1	173.4	-49.7	-55.6	0	0	0	109.8	F282 Q293 V296 A297 L300 Y309 T310 Q311 K316 F317 E318 L334	F282-I314 HydrophobicContact CE1-CG2 4.13Å; Q293-I314 HydrophobicContact CB-CB 4.21Å; Q293-I314 HydrophobicContact CB-CG2 4.26Å; Q293-I314 HydrophobicContact CG-CB 4.37Å; Q293-I314 HydrophobicContact CG-CG2 4.08Å; V296-I314 HydrophobicContact CB-CG1 4.41Å; V296-I314 HydrophobicContact CG1-CD1 3.92Å; V296-I314 HydrophobicContact CG1-CG1 4.29Å; A297-I314 HydrophobicContact CB-CG1 4.01Å; L300-I314 HydrophobicContact CD1-CD1 3.92Å; Y309-I314 HydrophobicContact CD1-CD1 4.28Å; T310-I314 PolarHBondContact O-N 3.1Å; Q311-I314 PolarHBondContact O-N 3.27Å; I314-K316 VanDerWaalsContact C-N 3.33Å; I314-K316 PolarHBondContact O-N 3.22Å; I314-F317 WeakPolarHBondContact O-CB 3.03Å; I314-F317 PolarHBondContact O-N 3.4Å; I314-F317 VanDerWaalsContact O-N 3.08Å; I314-E318 WeakPolarHBondContact O-CG 3.45Å; I314-E318 PolarHBondContact O-N 3.41Å; I314-L334 HydrophobicContact CD1-CD2 4.25Å
315	A	96.9	Very high	92.5	Very high	25 Å²	25	67.7 Å²	67.7	21%	0.207	35%	0.346	C	S	.	.	H	α-helix	trans	-59.6	-40	176	0	0	0	0	0	113	Q311 H319	Q311-A315 PolarHBondContact O-N 2.96Å; A315-H319 PolarHBondContact O-N 3.29Å; A315-H319 PolarHBondContact O-ND1 2.91Å
316	K	96.9	Very high	92.8	Very high	109 Å²	109	58.9 Å²	58.9	47%	0.474	31%	0.312	S	S	.	.	H	α-helix	trans	-65	-37.8	173.6	-78.8	179.9	-178	-172.8	0	112.2	P312 S313 I314 H319 L320 H321 F322	P312-K316 WeakPolarHBondContact O-CB 3.46Å; P312-K316 WeakPolarHBondContact O-CG 3.29Å; P312-K316 PolarHBondContact O-N 2.87Å; S313-K316 PolarHBondContact O-N 2.94Å; I314-K316 VanDerWaalsContact C-N 3.33Å; I314-K316 PolarHBondContact O-N 3.22Å; K316-H319 CarbonylContact O-C 3.59Å; K316-H319 PolarHBondContact O-N 2.83Å; K316-L320 PolarHBondContact O-N 2.98Å; K316-L320 VanDerWaalsContact O-N 3.1Å; K316-H321 HydrophobicContact CB-CB 4.17Å; K316-H321 HydrophobicContact CG-CB 4.18Å; K316-H321 PolarHBondContact O-N 2.97Å; K316-F322 HydrophobicContact CB-CD2 4Å; K316-F322 HydrophobicContact CB-CE1 4.37Å; K316-F322 HydrophobicContact CB-CE2 3.45Å; K316-F322 VanDerWaalsContact CB-CE2 3.45Å; K316-F322 HydrophobicContact CB-CZ 3.67Å; K316-F322 HydrophobicContact CD-CE1 4.2Å; K316-F322 HydrophobicContact CD-CZ 4.14Å
317	F	96.7	Very high	93.2	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64.5	-45.8	176.6	-174.4	-89.9	0	0	0	112.1	M275 F278 A279 S313 I314 H319 L320 F322 L327 M330 K331 L334	M275-F317 HydrophobicContact SD-CE2 4.2Å; M275-F317 HydrophobicContact SD-CZ 4.06Å; F278-F317 AromaticContact CD1-CE1 3.82Å; F278-F317 HydrophobicContact CD1-CE1 3.82Å; F278-F317 AromaticContact CD1-CZ 3.66Å; F278-F317 HydrophobicContact CD1-CZ 3.66Å; F278-F317 AromaticContact CE1-CE1 3.62Å; F278-F317 HydrophobicContact CE1-CE1 3.62Å; F278-F317 AromaticContact CE1-CZ 3.58Å; F278-F317 HydrophobicContact CE1-CZ 3.58Å; A279-F317 HydrophobicContact CB-CE1 4.16Å; S313-F317 PolarHBondContact O-N 2.83Å; I314-F317 WeakPolarHBondContact O-CB 3.03Å; I314-F317 PolarHBondContact O-N 3.4Å; I314-F317 VanDerWaalsContact O-N 3.08Å; F317-H319 PolarHBondContact O-N 2.99Å; F317-L320 PolarHBondContact O-N 3.46Å; F317-F322 HydrophobicContact CB-CD2 4.42Å; F317-F322 HydrophobicContact CB-CE2 4.13Å; F317-L327 HydrophobicContact CD2-CD2 3.87Å; F317-L327 HydrophobicContact CE2-CD2 4.02Å; F317-M330 HydrophobicContact CB-CE 3.76Å; F317-M330 HydrophobicContact CD2-CB 3.55Å; F317-M330 HydrophobicContact CD2-CE 4.07Å; F317-M330 HydrophobicContact CD2-CG 4.41Å; F317-M330 HydrophobicContact CD2-SD 4.12Å; F317-M330 HydrophobicContact CE2-CB 3.64Å; F317-M330 HydrophobicContact CG-CE 4.18Å; F317-K331 HydrophobicContact CZ-CB 4.33Å; F317-L334 HydrophobicContact CB-CD1 4.37Å; F317-L334 HydrophobicContact CD1-CD1 3.37Å; F317-L334 HydrophobicContact CD2-CD1 3.74Å; F317-L334 HydrophobicContact CE1-CD1 3.45Å; F317-L334 VanDerWaalsContact CE1-CD1 3.45Å; F317-L334 HydrophobicContact CE2-CD1 3.81Å; F317-L334 HydrophobicContact CG-CD1 3.52Å; F317-L334 HydrophobicContact CZ-CD1 3.67Å
318	E	96.8	Very high	93.7	Very high	4 Å²	4	54.5 Å²	54.5	2%	0.019	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-10	178.4	-68.8	-179.4	153.2	0	0	114.7	F282 R283 R286 Q293 I314	F282-E318 HydrophobicContact CD1-CG 4.37Å; R283-E318 HydrophobicContact CB-CG 4.19Å; R283-E318 HydrophobicContact CG-CG 4.4Å; R283-E318 PolarHBondContact NH1-O 3.26Å; R286-E318 IonicContact CZ-OE1 3.6Å; R286-E318 IonicContact NE-OE1 2.88Å; R286-E318 PolarHBondContact NE-OE1 3.39Å; R286-E318 IonicContact NH2-OE1 3.24Å; R286-E318 PolarHBondContact NH2-OE1 3.09Å; R286-E318 IonicContact NH2-OE2 2.7Å; R286-E318 PolarHBondContact NH2-OE2 2.97Å; Q293-E318 PolarHBondContact NE2-OE2 3.17Å; I314-E318 WeakPolarHBondContact O-CG 3.45Å; I314-E318 PolarHBondContact O-N 3.41Å
319	H	95.3	Very high	94	Very high	92 Å²	92	50.2 Å²	50.2	43%	0.426	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.9	8.7	173.1	-57.9	86.7	0	0	0	112.4	R283 A315 K316 F317 H321	R283-H319 PolarHBondContact NH1-CE1 3.39Å; R283-H319 PolarHBondContact NH1-NE2 3.43Å; A315-H319 PolarHBondContact O-N 3.29Å; A315-H319 PolarHBondContact O-ND1 2.91Å; K316-H319 CarbonylContact O-C 3.59Å; K316-H319 PolarHBondContact O-N 2.83Å; F317-H319 PolarHBondContact O-N 2.99Å; H319-H321 PolarHBondContact O-CD2 2.91Å; H319-H321 PolarHBondContact O-N 3.37Å; H319-H321 PolarHBondContact O-NE2 2.85Å
320	L	94.8	Very high	94.1	Very high	24 Å²	24	49.7 Å²	49.7	13%	0.126	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	24.4	-176.9	-54.1	-179.8	0	0	0	115.4	M275 K276 A279 K316 F317 F322 L327	M275-L320 HydrophobicContact CG-CD2 3.74Å; K276-L320 HydrophobicContact CB-CD1 4.31Å; K276-L320 HydrophobicContact CD-CD1 4.48Å; K276-L320 HydrophobicContact CG-CD1 3.36Å; A279-L320 HydrophobicContact CB-CD2 3.69Å; A279-L320 HydrophobicContact CB-CG 4.4Å; K316-L320 PolarHBondContact O-N 2.98Å; K316-L320 VanDerWaalsContact O-N 3.1Å; F317-L320 PolarHBondContact O-N 3.46Å; L320-F322 PolarHBondContact O-N 2.98Å; L320-L327 HydrophobicContact CB-CD1 4.22Å; L320-L327 HydrophobicContact CB-CD2 4.49Å; L320-L327 HydrophobicContact CD2-CD1 4.23Å; L320-L327 HydrophobicContact CD2-CD2 3.95Å
321	H	94.5	Very high	94.2	Very high	123 Å²	123	48 Å²	48	57%	0.569	25%	0.252	S	S	*	.			trans	-79.8	53	-179.9	-63.7	175	0	0	0	112.6	K316 H319	K316-H321 HydrophobicContact CB-CB 4.17Å; K316-H321 HydrophobicContact CG-CB 4.18Å; K316-H321 PolarHBondContact O-N 2.97Å; H319-H321 PolarHBondContact O-CD2 2.91Å; H319-H321 PolarHBondContact O-N 3.37Å; H319-H321 PolarHBondContact O-NE2 2.85Å
322	F	92.1	Very high	94.1	Very high	49 Å²	49	50 Å²	50	22%	0.215	26%	0.262	C	S	.	.	S	Bend	trans	-143.1	162.6	173.2	-74.2	-68	0	0	0	110.4	S313 K316 F317 L320 R326 L327 M330	S313-F322 VanDerWaalsContact O-CE2 3.3Å; S313-F322 WeakPolarHBondContact O-CE2 3.5Å; K316-F322 HydrophobicContact CB-CD2 4Å; K316-F322 HydrophobicContact CB-CE1 4.37Å; K316-F322 HydrophobicContact CB-CE2 3.45Å; K316-F322 VanDerWaalsContact CB-CE2 3.45Å; K316-F322 HydrophobicContact CB-CZ 3.67Å; K316-F322 HydrophobicContact CD-CE1 4.2Å; K316-F322 HydrophobicContact CD-CZ 4.14Å; F317-F322 HydrophobicContact CB-CD2 4.42Å; F317-F322 HydrophobicContact CB-CE2 4.13Å; L320-F322 PolarHBondContact O-N 2.98Å; F322-R326 HydrophobicContact CB-CB 4.22Å; F322-R326 HydrophobicContact CB-CG 4.14Å; F322-R326 HydrophobicContact CD1-CG 3.77Å; F322-R326 HydrophobicContact CE1-CG 4.29Å; F322-R326 HydrophobicContact CG-CG 3.98Å; F322-L327 HydrophobicContact CB-CD2 3.79Å; F322-L327 HydrophobicContact CB-CG 3.87Å; F322-L327 HydrophobicContact CD2-CD2 4.13Å; F322-L327 HydrophobicContact CG-CD2 4.49Å; F322-M330 HydrophobicContact CD2-SD 3.82Å; F322-M330 HydrophobicContact CE1-SD 4.49Å; F322-M330 HydrophobicContact CE2-CE 3.84Å; F322-M330 HydrophobicContact CE2-SD 3.38Å; F322-M330 WeakPolarHBondContact CE2-SD 3.15Å; F322-M330 HydrophobicContact CZ-CE 4.3Å; F322-M330 HydrophobicContact CZ-SD 3.77Å
323	S	92.1	Very high	94	Very high	66 Å²	66	47.4 Å²	47.4	46%	0.462	24%	0.241	S	C	.	.			trans	-63.6	150.3	170.5	63.9	0	0	0	0	111.2	S325 R326 L327	S323-S325 VanDerWaalsContact C-N 3.26Å; S323-S325 PolarHBondContact O-N 3.28Å; S323-S325 VanDerWaalsContact O-N 3.15Å; S323-R326 PolarHBondContact O-N 2.85Å; S323-L327 PolarHBondContact O-N 3.36Å
324	P	89.5	Confident	94.1	Very high	18 Å²	18	46.9 Å²	46.9	12%	0.117	24%	0.237	C	C	.	.	H	α-helix	trans	-52.3	-39.9	-178.5	-30	36.2	0	0	0	114.1	L262 T267 L327 H328	L262-P324 HydrophobicContact CD2-CG 4.06Å; T267-P324 HydrophobicContact CG2-CB 4.18Å; T267-P324 VanDerWaalsContact OG1-CB 3.25Å; T267-P324 WeakPolarHBondContact OG1-CB 3.46Å; T267-P324 VanDerWaalsContact OG1-CG 3.29Å; T267-P324 WeakPolarHBondContact OG1-CG 3.45Å; P324-L327 PolarHBondContact O-N 3.44Å; P324-H328 PolarHBondContact O-N 2.98Å; P324-H328 PolarHBondContact O-ND1 3.39Å
325	S	89.8	Confident	94	Very high	97 Å²	97	48.6 Å²	48.6	68%	0.678	25%	0.245	S	C	*	.	H	α-helix	trans	-60.1	-46.8	175.6	175.3	0	0	0	0	112.4	S323 L327 H328 Q329	S323-S325 VanDerWaalsContact C-N 3.26Å; S323-S325 PolarHBondContact O-N 3.28Å; S323-S325 VanDerWaalsContact O-N 3.15Å; S325-L327 PolarHBondContact O-N 3.33Å; S325-H328 PolarHBondContact O-N 3.24Å; S325-Q329 PolarHBondContact O-N 2.86Å
326	R	92.1	Very high	93.8	Very high	37 Å²	37	52.6 Å²	52.6	14%	0.14	26%	0.258	C	S	.	.	H	α-helix	trans	-68.8	-33.1	178.3	179.5	58.6	-178.3	157.2	6.1	112.1	I307 Y309 F322 S323 Q329 M330	I307-R326 VanDerWaalsContact CD1-NH1 3.27Å; Y309-R326 PolarHBondContact OH-NH1 2.98Å; Y309-R326 PolarHBondContact OH-NH2 2.86Å; F322-R326 HydrophobicContact CB-CB 4.22Å; F322-R326 HydrophobicContact CB-CG 4.14Å; F322-R326 HydrophobicContact CD1-CG 3.77Å; F322-R326 HydrophobicContact CE1-CG 4.29Å; F322-R326 HydrophobicContact CG-CG 3.98Å; S323-R326 PolarHBondContact O-N 2.85Å; R326-Q329 PolarHBondContact O-N 2.97Å; R326-M330 HydrophobicContact CG-SD 4.21Å; R326-M330 PolarHBondContact NE-SD 3.38Å; R326-M330 VanDerWaalsContact NE-SD 3.43Å; R326-M330 PolarHBondContact NH2-SD 3.41Å; R326-M330 WeakPolarHBondContact O-CB 3.41Å; R326-M330 WeakPolarHBondContact O-CG 3.33Å; R326-M330 PolarHBondContact O-N 3.46Å
327	L	94.2	Very high	93.8	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.01	24%	0.24	C	C	.	.	H	α-helix	trans	-61.3	-48.8	172.4	-70.1	173.4	0	0	0	111.6	M275 F317 L320 F322 S323 P324 S325 Q329 M330 K331	M275-L327 HydrophobicContact CE-CB 4.07Å; M275-L327 HydrophobicContact CG-CB 4.03Å; M275-L327 HydrophobicContact CG-CD1 4.17Å; M275-L327 HydrophobicContact SD-CB 3.9Å; F317-L327 HydrophobicContact CD2-CD2 3.87Å; F317-L327 HydrophobicContact CE2-CD2 4.02Å; L320-L327 HydrophobicContact CB-CD1 4.22Å; L320-L327 HydrophobicContact CB-CD2 4.49Å; L320-L327 HydrophobicContact CD2-CD1 4.23Å; L320-L327 HydrophobicContact CD2-CD2 3.95Å; F322-L327 HydrophobicContact CB-CD2 3.79Å; F322-L327 HydrophobicContact CB-CG 3.87Å; F322-L327 HydrophobicContact CD2-CD2 4.13Å; F322-L327 HydrophobicContact CG-CD2 4.49Å; S323-L327 PolarHBondContact O-N 3.36Å; P324-L327 PolarHBondContact O-N 3.44Å; S325-L327 PolarHBondContact O-N 3.33Å; L327-Q329 PolarHBondContact O-N 2.77Å; L327-M330 PolarHBondContact O-N 2.72Å; L327-K331 PolarHBondContact O-N 2.69Å
328	H	93.7	Very high	93.7	Very high	55 Å²	55	48.8 Å²	48.8	26%	0.255	24%	0.24	S	C	.	.	H	α-helix	trans	-60.8	-45.8	175.9	-70.3	85.6	0	0	0	111.7	M275 P324 S325 M330 K331 H332	M275-H328 HydrophobicContact CE-CB 4.4Å; P324-H328 PolarHBondContact O-N 2.98Å; P324-H328 PolarHBondContact O-ND1 3.39Å; S325-H328 PolarHBondContact O-N 3.24Å; H328-M330 VanDerWaalsContact C-N 3.27Å; H328-M330 PolarHBondContact O-N 3.48Å; H328-K331 PolarHBondContact O-N 3.34Å; H328-H332 PolarHBondContact O-CD2 2.92Å; H328-H332 PolarHBondContact O-N 2.91Å
329	Q	91.5	Very high	93.4	Very high	82 Å²	82	51.2 Å²	51.2	38%	0.383	25%	0.254	S	S	.	.	H	α-helix	trans	-58.7	-36.8	176.7	-165	-167.5	37.9	0	0	112.9	S325 R326 L327	S325-Q329 PolarHBondContact O-N 2.86Å; R326-Q329 PolarHBondContact O-N 2.97Å; L327-Q329 PolarHBondContact O-N 2.77Å
330	M	93.8	Very high	93.2	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-76.3	-39.1	175.9	-73.7	-178	71.9	0	0	112.6	Y309 F317 F322 R326 L327 H328 H332 R333 L334	Y309-M330 HydrophobicContact CD1-CE 4.49Å; Y309-M330 HydrophobicContact CE1-CE 4.03Å; Y309-M330 HydrophobicContact CE1-CG 4.37Å; F317-M330 HydrophobicContact CB-CE 3.76Å; F317-M330 HydrophobicContact CD2-CB 3.55Å; F317-M330 HydrophobicContact CD2-CE 4.07Å; F317-M330 HydrophobicContact CD2-CG 4.41Å; F317-M330 HydrophobicContact CD2-SD 4.12Å; F317-M330 HydrophobicContact CE2-CB 3.64Å; F317-M330 HydrophobicContact CG-CE 4.18Å; F322-M330 HydrophobicContact CD2-SD 3.82Å; F322-M330 HydrophobicContact CE1-SD 4.49Å; F322-M330 HydrophobicContact CE2-CE 3.84Å; F322-M330 HydrophobicContact CE2-SD 3.38Å; F322-M330 WeakPolarHBondContact CE2-SD 3.15Å; F322-M330 HydrophobicContact CZ-CE 4.3Å; F322-M330 HydrophobicContact CZ-SD 3.77Å; R326-M330 HydrophobicContact CG-SD 4.21Å; R326-M330 PolarHBondContact NE-SD 3.38Å; R326-M330 VanDerWaalsContact NE-SD 3.43Å; R326-M330 PolarHBondContact NH2-SD 3.41Å; R326-M330 WeakPolarHBondContact O-CB 3.41Å; R326-M330 WeakPolarHBondContact O-CG 3.33Å; R326-M330 PolarHBondContact O-N 3.46Å; L327-M330 PolarHBondContact O-N 2.72Å; H328-M330 VanDerWaalsContact C-N 3.27Å; H328-M330 PolarHBondContact O-N 3.48Å; M330-H332 PolarHBondContact O-N 3.37Å; M330-R333 PolarHBondContact O-N 3.28Å; M330-R333 VanDerWaalsContact O-N 3.13Å; M330-L334 HydrophobicContact CB-CD1 4.05Å; M330-L334 HydrophobicContact CE-CD1 4.41Å; M330-L334 WeakPolarHBondContact O-CB 3.35Å; M330-L334 VanDerWaalsContact O-CG 3.32Å; M330-L334 WeakPolarHBondContact O-CG 3.27Å; M330-L334 PolarHBondContact O-N 3.06Å
331	K	94.2	Very high	93	Very high	27 Å²	27	50 Å²	50	12%	0.117	25%	0.248	C	C	.	.	H	α-helix	trans	-53.4	-48.6	178.4	174.3	164.6	179.7	171.8	0	112	D274 M275 F278 F317 L327 H328 R333 L334 Q335	D274-K331 PolarHBondContact O-NZ 3Å; D274-K331 IonicContact OD1-NZ 3.37Å; D274-K331 PolarHBondContact OD1-NZ 3.29Å; D274-K331 IonicContact OD2-NZ 2.89Å; D274-K331 PolarHBondContact OD2-NZ 2.88Å; M275-K331 HydrophobicContact CE-CB 3.9Å; M275-K331 HydrophobicContact CE-CD 3.7Å; M275-K331 HydrophobicContact CE-CG 4.42Å; M275-K331 HydrophobicContact SD-CB 4.03Å; M275-K331 HydrophobicContact SD-CD 3.98Å; F278-K331 HydrophobicContact CB-CD 3.93Å; F278-K331 HydrophobicContact CD1-CB 4.11Å; F278-K331 HydrophobicContact CD1-CD 3.88Å; F278-K331 HydrophobicContact CD1-CG 3.65Å; F278-K331 HydrophobicContact CD2-CD 4.35Å; F278-K331 HydrophobicContact CD2-CG 4.2Å; F278-K331 HydrophobicContact CE1-CB 4.11Å; F278-K331 HydrophobicContact CE1-CG 3.84Å; F278-K331 HydrophobicContact CE2-CG 4.38Å; F278-K331 HydrophobicContact CG-CD 3.76Å; F278-K331 HydrophobicContact CG-CG 3.84Å; F278-K331 HydrophobicContact CZ-CG 4.21Å; F317-K331 HydrophobicContact CZ-CB 4.33Å; L327-K331 PolarHBondContact O-N 2.69Å; H328-K331 PolarHBondContact O-N 3.34Å; K331-R333 VanDerWaalsContact C-N 3.32Å; K331-R333 PolarHBondContact O-N 2.98Å; K331-L334 PolarHBondContact O-N 3.12Å; K331-Q335 WeakPolarHBondContact O-CB 3.46Å; K331-Q335 PolarHBondContact O-N 3.05Å
332	H	92.8	Very high	92.7	Very high	143 Å²	143	44.5 Å²	44.5	66%	0.662	22%	0.223	S	C	*	.	H	α-helix	trans	-59.4	-39.3	179	-65.9	-66.7	0	0	0	113.5	H328 M330 K336	H328-H332 PolarHBondContact O-CD2 2.92Å; H328-H332 PolarHBondContact O-N 2.91Å; M330-H332 PolarHBondContact O-N 3.37Å; H332-K336 PolarHBondContact O-N 3Å
333	R	94.5	Very high	92.2	Very high	31 Å²	31	45.8 Å²	45.8	12%	0.117	23%	0.226	C	C	.	.	H	α-helix	trans	-77.1	-37.8	-179.2	-62.5	-177.3	-177.3	-161.6	3.5	112.3	Y304 D306 Y309 M330 K331 W337	Y304-R333 HydrophobicContact CD1-CG 4.35Å; Y304-R333 HydrophobicContact CD2-CB 4.28Å; Y304-R333 HydrophobicContact CD2-CG 4.35Å; Y304-R333 HydrophobicContact CE1-CG 3.86Å; Y304-R333 HydrophobicContact CE2-CB 3.66Å; Y304-R333 HydrophobicContact CE2-CG 3.85Å; D306-R333 IonicContact OD1-CZ 3.76Å; D306-R333 IonicContact OD1-NH1 3.59Å; D306-R333 PolarHBondContact OD1-NH1 3.19Å; D306-R333 IonicContact OD1-NH2 3.86Å; D306-R333 PolarHBondContact OD1-NH2 2.83Å; D306-R333 IonicContact OD2-CZ 2.66Å; D306-R333 IonicContact OD2-NH1 3.68Å; D306-R333 PolarHBondContact OD2-NH1 3.31Å; D306-R333 IonicContact OD2-NH2 2.78Å; D306-R333 PolarHBondContact OD2-NH2 3.19Å; Y309-R333 VanDerWaalsContact OH-CD 3.29Å; Y309-R333 WeakPolarHBondContact OH-CD 3.31Å; Y309-R333 PolarHBondContact OH-NH1 3.49Å; M330-R333 PolarHBondContact O-N 3.28Å; M330-R333 VanDerWaalsContact O-N 3.13Å; K331-R333 VanDerWaalsContact C-N 3.32Å; K331-R333 PolarHBondContact O-N 2.98Å; R333-W337 PolarHBondContact O-N 3.47Å; R333-W337 VanDerWaalsContact O-N 3.1Å
334	L	96.5	Very high	91.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-70.2	-35.2	176.8	-71.6	164.3	0	0	0	112	F278 F282 V296 L300 I314 F317 M330 K331 L338	F278-L334 HydrophobicContact CE1-CB 4.01Å; F278-L334 HydrophobicContact CZ-CB 3.86Å; F282-L334 HydrophobicContact CD2-CB 4.06Å; F282-L334 HydrophobicContact CD2-CD2 4.38Å; F282-L334 HydrophobicContact CE1-CD2 4.17Å; F282-L334 HydrophobicContact CE2-CB 4.01Å; F282-L334 HydrophobicContact CE2-CD2 3.64Å; F282-L334 HydrophobicContact CE2-CG 4.39Å; F282-L334 HydrophobicContact CZ-CD2 3.55Å; V296-L334 HydrophobicContact CG1-CD2 4.1Å; L300-L334 HydrophobicContact CD1-CD2 3.66Å; L300-L334 HydrophobicContact CD1-CG 4.46Å; I314-L334 HydrophobicContact CD1-CD2 4.25Å; F317-L334 HydrophobicContact CB-CD1 4.37Å; F317-L334 HydrophobicContact CD1-CD1 3.37Å; F317-L334 HydrophobicContact CD2-CD1 3.74Å; F317-L334 HydrophobicContact CE1-CD1 3.45Å; F317-L334 VanDerWaalsContact CE1-CD1 3.45Å; F317-L334 HydrophobicContact CE2-CD1 3.81Å; F317-L334 HydrophobicContact CG-CD1 3.52Å; F317-L334 HydrophobicContact CZ-CD1 3.67Å; M330-L334 HydrophobicContact CB-CD1 4.05Å; M330-L334 HydrophobicContact CE-CD1 4.41Å; M330-L334 WeakPolarHBondContact O-CB 3.35Å; M330-L334 VanDerWaalsContact O-CG 3.32Å; M330-L334 WeakPolarHBondContact O-CG 3.27Å; M330-L334 PolarHBondContact O-N 3.06Å; K331-L334 PolarHBondContact O-N 3.12Å; L334-L338 VanDerWaalsContact O-CB 3.28Å; L334-L338 WeakPolarHBondContact O-CB 3.3Å; L334-L338 PolarHBondContact O-N 3.49Å
335	Q	95.1	Very high	91.3	Very high	36 Å²	36	47 Å²	47	17%	0.168	23%	0.227	C	C	.	.	H	α-helix	trans	-60.8	-56	171.5	-174.2	70.4	69.6	0	0	110.1	F278 K331 W337 L338 D339	F278-Q335 HydrophobicContact CE2-CB 4.07Å; F278-Q335 VanDerWaalsContact CE2-OE1 3.24Å; F278-Q335 HydrophobicContact CZ-CB 4.28Å; K331-Q335 WeakPolarHBondContact O-CB 3.46Å; K331-Q335 PolarHBondContact O-N 3.05Å; Q335-W337 VanDerWaalsContact C-N 3.26Å; Q335-W337 PolarHBondContact O-N 2.83Å; Q335-L338 WeakPolarHBondContact O-CA 3.39Å; Q335-L338 WeakPolarHBondContact O-CB 3.44Å; Q335-L338 PolarHBondContact O-N 2.82Å; Q335-D339 PolarHBondContact NE2-OD1 2.77Å; Q335-D339 PolarHBondContact O-N 3.02Å; Q335-D339 VanDerWaalsContact O-OD2 3.13Å
336	K	93.8	Very high	90.6	Very high	110 Å²	110	43.3 Å²	43.3	48%	0.478	20%	0.202	S	C	.	.	H	α-helix	trans	-53.4	-42.7	178.4	-170.8	-165.7	174.9	-172.8	0	112.4	E303 Y304 H332 E340	E303-K336 IonicContact OE1-NZ 2.85Å; E303-K336 PolarHBondContact OE1-NZ 3.37Å; Y304-K336 WeakPolarHBondContact OH-CD 3.44Å; H332-K336 PolarHBondContact O-N 3Å; K336-E340 PolarHBondContact O-N 3Å
337	W	95.7	Very high	89.6	Confident	28 Å²	28	46 Å²	46	11%	0.106	22%	0.218	C	C	.	.	H	α-helix	trans	-65.6	-39.1	175.9	176	89.7	0	0	0	112.4	F282 Y291 V296 A299 L300 R333 Q335 E340 A341	F282-W337 AromaticContact CE2-CE3 3.73Å; F282-W337 HydrophobicContact CE2-CE3 3.73Å; F282-W337 AromaticContact CE2-CZ3 3.84Å; F282-W337 HydrophobicContact CE2-CZ3 3.84Å; F282-W337 HydrophobicContact CZ-CE3 4.26Å; F282-W337 HydrophobicContact CZ-CZ3 4.15Å; Y291-W337 HydrophobicContact CD1-CH2 4.28Å; Y291-W337 AromaticContact CD1-CZ2 3.85Å; Y291-W337 HydrophobicContact CD1-CZ2 3.85Å; Y291-W337 AromaticContact CD2-CH2 3.78Å; Y291-W337 HydrophobicContact CD2-CH2 3.78Å; Y291-W337 HydrophobicContact CD2-CZ2 4.08Å; Y291-W337 HydrophobicContact CE1-CZ2 4.07Å; Y291-W337 HydrophobicContact CE2-CH2 4.27Å; Y291-W337 HydrophobicContact CE2-CZ2 4.31Å; Y291-W337 AromaticContact CG-CH2 3.79Å; Y291-W337 HydrophobicContact CG-CH2 3.79Å; Y291-W337 AromaticContact CG-CZ2 3.85Å; Y291-W337 HydrophobicContact CG-CZ2 3.85Å; V296-W337 HydrophobicContact CB-CZ2 4.39Å; V296-W337 HydrophobicContact CG1-CD2 4.15Å; V296-W337 HydrophobicContact CG1-CE3 4.29Å; V296-W337 HydrophobicContact CG2-CE3 4.5Å; V296-W337 HydrophobicContact CG2-CH2 3.56Å; V296-W337 HydrophobicContact CG2-CZ2 3.66Å; V296-W337 HydrophobicContact CG2-CZ3 3.99Å; A299-W337 VanDerWaalsContact CB-NE1 3.34Å; L300-W337 HydrophobicContact CD2-CB 3.84Å; L300-W337 HydrophobicContact CD2-CG 4.24Å; L300-W337 HydrophobicContact CG-CG 4.5Å; R333-W337 PolarHBondContact O-N 3.47Å; R333-W337 VanDerWaalsContact O-N 3.1Å; Q335-W337 VanDerWaalsContact C-N 3.26Å; Q335-W337 PolarHBondContact O-N 2.83Å; W337-E340 PolarHBondContact O-N 3.4Å; W337-A341 HydrophobicContact CD2-CB 4.5Å; W337-A341 HydrophobicContact CE3-CB 4.35Å; W337-A341 HydrophobicContact CH2-CB 3.75Å; W337-A341 HydrophobicContact CZ2-CB 3.9Å; W337-A341 HydrophobicContact CZ3-CB 4.01Å; W337-A341 WeakPolarHBondContact O-CB 3.32Å; W337-A341 PolarHBondContact O-N 3.08Å
338	L	95.5	Very high	88.6	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-67.1	-45	179.7	-169	66.3	0	0	0	110.9	Y281 F282 R285 L289 L334 Q335 E340 A341 E342	Y281-L338 HydrophobicContact CD1-CD2 3.99Å; Y281-L338 HydrophobicContact CE1-CD2 3.44Å; Y281-L338 VanDerWaalsContact CE1-CD2 3.44Å; F282-L338 HydrophobicContact CD2-CD1 4.39Å; F282-L338 HydrophobicContact CD2-CD2 4.31Å; R285-L338 HydrophobicContact CB-CD1 4.02Å; R285-L338 HydrophobicContact CB-CD2 4.36Å; R285-L338 HydrophobicContact CG-CD1 3.85Å; R285-L338 HydrophobicContact CG-CD2 4.39Å; R285-L338 HydrophobicContact CG-CG 4.4Å; L289-L338 HydrophobicContact CD1-CD1 4.06Å; L334-L338 VanDerWaalsContact O-CB 3.28Å; L334-L338 WeakPolarHBondContact O-CB 3.3Å; L334-L338 PolarHBondContact O-N 3.49Å; Q335-L338 WeakPolarHBondContact O-CA 3.39Å; Q335-L338 WeakPolarHBondContact O-CB 3.44Å; Q335-L338 PolarHBondContact O-N 2.82Å; L338-E340 PolarHBondContact O-N 3.15Å; L338-A341 PolarHBondContact O-N 3.5Å; L338-E342 HydrophobicContact CG-CG 4.4Å; L338-E342 WeakPolarHBondContact O-CG 3.36Å; L338-E342 PolarHBondContact O-N 3.41Å
339	D	90.6	Very high	87.2	Confident	55 Å²	55	53.6 Å²	53.6	29%	0.294	25%	0.254	S	S	.	.	H	α-helix	trans	-57.1	-37.4	176.8	-49	-30.5	0	0	0	111.4	Q335 R343	Q335-D339 PolarHBondContact NE2-OD1 2.77Å; Q335-D339 PolarHBondContact O-N 3.02Å; Q335-D339 VanDerWaalsContact O-OD2 3.13Å; D339-R343 VanDerWaalsContact O-CB 3.3Å; D339-R343 WeakPolarHBondContact O-CB 3.27Å; D339-R343 PolarHBondContact O-N 2.87Å
340	E	90	Very high	85.4	Confident	87 Å²	87	53.3 Å²	53.3	41%	0.407	25%	0.254	S	S	.	.	H	α-helix	trans	-70.8	-44.2	174	-169.8	60.6	-128.6	0	0	112.7	K336 W337 L338 E342 R343 T344	K336-E340 PolarHBondContact O-N 3Å; W337-E340 PolarHBondContact O-N 3.4Å; L338-E340 PolarHBondContact O-N 3.15Å; E340-E342 PolarHBondContact O-N 2.92Å; E340-R343 PolarHBondContact O-N 3.41Å; E340-R343 IonicContact OE1-CZ 3.2Å; E340-R343 IonicContact OE1-NH1 2.8Å; E340-R343 PolarHBondContact OE1-NH1 3.05Å; E340-R343 IonicContact OE1-NH2 2.82Å; E340-R343 IonicContact OE2-CZ 2.72Å; E340-R343 VanDerWaalsContact OE2-CZ 3.24Å; E340-R343 IonicContact OE2-NH1 3.1Å; E340-R343 PolarHBondContact OE2-NH1 3.36Å; E340-R343 IonicContact OE2-NH2 3.83Å; E340-R343 PolarHBondContact OE2-NH2 3.12Å; E340-T344 WeakPolarHBondContact O-CB 3.35Å; E340-T344 WeakPolarHBondContact O-CG2 3.32Å; E340-T344 PolarHBondContact O-N 3.36Å; E340-T344 PolarHBondContact O-OG1 3.07Å; E340-T344 WeakPolarHBondContact OE1-CG2 3.47Å
341	A	90.9	Very high	83.1	Confident	3 Å²	3	56.1 Å²	56.1	3%	0.025	28%	0.277	C	S	.	.	H	α-helix	trans	-64.5	-38.4	178.3	0	0	0	0	0	112.1	L289 Y291 W337 L338 T344 H345	L289-A341 HydrophobicContact CD1-CB 3.82Å; Y291-A341 HydrophobicContact CE2-CB 3.87Å; W337-A341 HydrophobicContact CD2-CB 4.5Å; W337-A341 HydrophobicContact CE3-CB 4.35Å; W337-A341 HydrophobicContact CH2-CB 3.75Å; W337-A341 HydrophobicContact CZ2-CB 3.9Å; W337-A341 HydrophobicContact CZ3-CB 4.01Å; W337-A341 WeakPolarHBondContact O-CB 3.32Å; W337-A341 PolarHBondContact O-N 3.08Å; L338-A341 PolarHBondContact O-N 3.5Å; A341-T344 WeakPolarHBondContact CA-OG1 3.2Å; A341-T344 PolarHBondContact O-OG1 3.11Å; A341-H345 WeakPolarHBondContact O-CB 3.28Å; A341-H345 PolarHBondContact O-N 2.97Å
342	E	88.9	Confident	80.9	Confident	9 Å²	9	59.1 Å²	59.1	4%	0.042	30%	0.298	C	S	.	.	H	α-helix	trans	-68.4	-45.9	176.3	-69.3	-160.8	74	0	0	112	Y281 R285 L289 L338 E340 H345 A346 Y403	Y281-E342 PolarHBondContact OH-OE2 3.17Å; R285-E342 HydrophobicContact CG-CG 4.23Å; R285-E342 IonicContact CZ-OE1 2.7Å; R285-E342 VanDerWaalsContact NE-CD 3.3Å; R285-E342 IonicContact NE-OE1 3.49Å; R285-E342 PolarHBondContact NE-OE1 3.17Å; R285-E342 IonicContact NE-OE2 3.48Å; R285-E342 IonicContact NH2-OE1 3.45Å; R285-E342 PolarHBondContact NH2-OE1 3.39Å; L289-E342 HydrophobicContact CD1-CG 3.85Å; L289-E342 HydrophobicContact CD2-CG 4.39Å; L338-E342 HydrophobicContact CG-CG 4.4Å; L338-E342 WeakPolarHBondContact O-CG 3.36Å; L338-E342 PolarHBondContact O-N 3.41Å; E340-E342 PolarHBondContact O-N 2.92Å; E342-H345 PolarHBondContact O-N 2.05Å; E342-A346 PolarHBondContact O-N 3.24Å; E342-Y403 HydrophobicContact CB-CE2 4.35Å; E342-Y403 VanDerWaalsContact OE1-CE2 3.27Å; E342-Y403 WeakPolarHBondContact OE1-CE2 3.31Å; E342-Y403 PolarHBondContact OE1-OH 2.9Å; E342-Y403 VanDerWaalsContact OE1-OH 3.04Å
343	R	80.6	Confident	78.7	Confident	76 Å²	76	54.2 Å²	54.2	29%	0.287	28%	0.279	S	S	.	.	H	α-helix	trans	-67	-41.2	178.9	178.5	162.7	33.2	64.5	4.4	112.5	D339 E340 H345 A346 I347	D339-R343 VanDerWaalsContact O-CB 3.3Å; D339-R343 WeakPolarHBondContact O-CB 3.27Å; D339-R343 PolarHBondContact O-N 2.87Å; E340-R343 PolarHBondContact O-N 3.41Å; E340-R343 IonicContact OE1-CZ 3.2Å; E340-R343 IonicContact OE1-NH1 2.8Å; E340-R343 PolarHBondContact OE1-NH1 3.05Å; E340-R343 IonicContact OE1-NH2 2.82Å; E340-R343 IonicContact OE2-CZ 2.72Å; E340-R343 VanDerWaalsContact OE2-CZ 3.24Å; E340-R343 IonicContact OE2-NH1 3.1Å; E340-R343 PolarHBondContact OE2-NH1 3.36Å; E340-R343 IonicContact OE2-NH2 3.83Å; E340-R343 PolarHBondContact OE2-NH2 3.12Å; R343-H345 VanDerWaalsContact C-N 3.33Å; R343-H345 PolarHBondContact O-N 2.92Å; R343-A346 PolarHBondContact O-N 3.18Å; R343-I347 HydrophobicContact CG-CD1 4.21Å; R343-I347 WeakPolarHBondContact O-CD1 3.48Å; R343-I347 VanDerWaalsContact O-CG1 3.32Å; R343-I347 WeakPolarHBondContact O-CG1 3.21Å; R343-I347 PolarHBondContact O-N 3.34Å; R343-I347 VanDerWaalsContact O-N 3.12Å
344	T	81.6	Confident	76.4	Confident	57 Å²	57	57.8 Å²	57.8	35%	0.35	30%	0.304	S	S	.	.	H	α-helix	trans	-66.6	-33.9	174	51.7	0	0	0	0	112.6	E340 A341 K348	E340-T344 WeakPolarHBondContact O-CB 3.35Å; E340-T344 WeakPolarHBondContact O-CG2 3.32Å; E340-T344 PolarHBondContact O-N 3.36Å; E340-T344 PolarHBondContact O-OG1 3.07Å; E340-T344 WeakPolarHBondContact OE1-CG2 3.47Å; A341-T344 WeakPolarHBondContact CA-OG1 3.2Å; A341-T344 PolarHBondContact O-OG1 3.11Å; T344-K348 WeakPolarHBondContact O-CB 3.11Å; T344-K348 PolarHBondContact O-N 2.77Å; T344-K348 VanDerWaalsContact O-N 3.08Å
345	H	81.3	Confident	73.9	Confident	52 Å²	52	64.7 Å²	64.7	24%	0.241	34%	0.341	C	S	.	.	H	α-helix	trans	-68	-41.5	172.7	-176.1	-113.8	0	0	0	112.8	L289 A341 E342 R343 K348 N349	L289-H345 HydrophobicContact CD2-CB 3.61Å; L289-H345 WeakPolarHBondContact CD2-ND1 3.39Å; A341-H345 WeakPolarHBondContact O-CB 3.28Å; A341-H345 PolarHBondContact O-N 2.97Å; E342-H345 PolarHBondContact O-N 2.05Å; R343-H345 VanDerWaalsContact C-N 3.33Å; R343-H345 PolarHBondContact O-N 2.92Å; H345-K348 WeakPolarHBondContact O-CB 3.42Å; H345-K348 PolarHBondContact O-N 3.44Å; H345-N349 PolarHBondContact CE1-ND2 2.82Å; H345-N349 PolarHBondContact NE2-ND2 3.28Å; H345-N349 VanDerWaalsContact O-CG 3.28Å; H345-N349 PolarHBondContact O-N 3.04Å; H345-N349 PolarHBondContact O-ND2 2.94Å
346	A	74.6	Confident	71.6	Confident	20 Å²	20	67.7 Å²	67.7	17%	0.165	37%	0.366	C	S	.	.	H	α-helix	trans	-58.2	-52.7	175	0	0	0	0	0	111.6	E342 R343 K348 N349 M350	E342-A346 PolarHBondContact O-N 3.24Å; R343-A346 PolarHBondContact O-N 3.18Å; A346-K348 VanDerWaalsContact C-N 3.29Å; A346-K348 PolarHBondContact O-N 2.97Å; A346-N349 PolarHBondContact O-N 3.23Å; A346-N349 VanDerWaalsContact O-N 3.16Å; A346-M350 HydrophobicContact CB-CE 3.92Å; A346-M350 WeakPolarHBondContact O-CG 3.35Å; A346-M350 PolarHBondContact O-N 2.91Å
347	I	72.6	Confident	69.1	Low	92 Å²	92	66.3 Å²	66.3	47%	0.472	38%	0.375	S	S	.	.	H	α-helix	trans	-57	-42	177.1	-66.3	164.1	0	0	0	111.4	R343 N349 A351	R343-I347 HydrophobicContact CG-CD1 4.21Å; R343-I347 WeakPolarHBondContact O-CD1 3.48Å; R343-I347 VanDerWaalsContact O-CG1 3.32Å; R343-I347 WeakPolarHBondContact O-CG1 3.21Å; R343-I347 PolarHBondContact O-N 3.34Å; R343-I347 VanDerWaalsContact O-N 3.12Å; I347-N349 PolarHBondContact O-N 3.11Å; I347-A351 PolarHBondContact O-N 3.44Å; I347-A351 VanDerWaalsContact O-N 3.14Å
348	K	72	Confident	66.6	Low	139 Å²	139	74.6 Å²	74.6	60%	0.604	41%	0.412	S	S	*	.	H	α-helix	trans	-61.8	-42.9	178.9	179.6	-172.6	173.3	-166.1	0	111.9	T344 H345 A346 A351	T344-K348 WeakPolarHBondContact O-CB 3.11Å; T344-K348 PolarHBondContact O-N 2.77Å; T344-K348 VanDerWaalsContact O-N 3.08Å; H345-K348 WeakPolarHBondContact O-CB 3.42Å; H345-K348 PolarHBondContact O-N 3.44Å; A346-K348 VanDerWaalsContact C-N 3.29Å; A346-K348 PolarHBondContact O-N 2.97Å; K348-A351 PolarHBondContact O-N 2.7Å
349	N	63.9	Low	63.8	Low	79 Å²	79	83.6 Å²	83.6	42%	0.422	45%	0.451	S	S	.	.	H	α-helix	trans	-69.5	-38.2	-176.9	-66.4	-16.4	0	0	0	111.5	H345 A346 I347 A351 V352	H345-N349 PolarHBondContact CE1-ND2 2.82Å; H345-N349 PolarHBondContact NE2-ND2 3.28Å; H345-N349 VanDerWaalsContact O-CG 3.28Å; H345-N349 PolarHBondContact O-N 3.04Å; H345-N349 PolarHBondContact O-ND2 2.94Å; A346-N349 PolarHBondContact O-N 3.23Å; A346-N349 VanDerWaalsContact O-N 3.16Å; I347-N349 PolarHBondContact O-N 3.11Å; N349-A351 PolarHBondContact O-N 3.42Å; N349-V352 PolarHBondContact O-N 2.99Å
350	M	53.6	Low	61.4	Low	76 Å²	76	89.9 Å²	89.9	37%	0.374	48%	0.476	S	S	.	.	H	α-helix	trans	-66.6	-35.5	175.5	-63.4	154	-160.7	0	0	112.7	A346 V352 S353 S399	A346-M350 HydrophobicContact CB-CE 3.92Å; A346-M350 WeakPolarHBondContact O-CG 3.35Å; A346-M350 PolarHBondContact O-N 2.91Å; M350-V352 VanDerWaalsContact C-N 3.29Å; M350-V352 PolarHBondContact O-N 3.19Å; M350-S353 PolarHBondContact O-N 3.46Å; M350-S399 WeakPolarHBondContact CE-O 3.43Å
351	A	47.2	Very low	58.9	Low	59 Å²	59	93.4 Å²	93.4	49%	0.488	50%	0.498	S	S	.	.	H	α-helix	trans	-65	-30.3	179.1	0	0	0	0	0	113.4	I347 K348 N349 S353 V354	I347-A351 PolarHBondContact O-N 3.44Å; I347-A351 VanDerWaalsContact O-N 3.14Å; K348-A351 PolarHBondContact O-N 2.7Å; N349-A351 PolarHBondContact O-N 3.42Å; A351-S353 PolarHBondContact O-N 3.35Å; A351-V354 PolarHBondContact O-N 3.42Å
352	V	48.2	Very low	56.2	Low	90 Å²	90	96 Å²	96	55%	0.545	52%	0.524	S	S	.	.	H	α-helix	trans	-69.1	-31.2	-177.5	173.2	0	0	0	0	112.5	N349 M350 V354	N349-V352 PolarHBondContact O-N 2.99Å; M350-V352 VanDerWaalsContact C-N 3.29Å; M350-V352 PolarHBondContact O-N 3.19Å; V352-V354 PolarHBondContact O-N 3.09Å
353	S	46.1	Very low	53.5	Low	39 Å²	39	103.9 Å²	103.9	27%	0.273	57%	0.567	S	S	.	*	H	α-helix	trans	-69.3	-20.4	-179	-57.4	0	0	0	0	113.4	M350 A351	M350-S353 PolarHBondContact O-N 3.46Å; A351-S353 PolarHBondContact O-N 3.35Å
354	V	45.7	Very low	51.3	Low	106 Å²	106	103.9 Å²	103.9	64%	0.642	59%	0.591	S	S	*	*	H	α-helix	trans	-75.1	-42	-177.7	-173.1	0	0	0	0	112.5	A351 V352 S356	A351-V354 PolarHBondContact O-N 3.42Å; V352-V354 PolarHBondContact O-N 3.09Å; V354-S356 PolarHBondContact O-N 3.06Å
355	D	44.8	Very low	48.9	Very low	146 Å²	146	110.4 Å²	110.4	78%	0.781	62%	0.617	S	S	*	*	H	α-helix	trans	-70.2	-19.2	-175.8	-87.7	-23.4	0	0	0	113.8
356	S	45.3	Very low	46.8	Very low	99 Å²	99	115.7 Å²	115.7	69%	0.692	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	-20.4	-173.7	-59.3	0	0	0	0	114.2	V354 K358	V354-S356 PolarHBondContact O-N 3.06Å; S356-K358 PolarHBondContact O-N 3.04Å
357	A	42.8	Very low	44.8	Very low	81 Å²	81	122 Å²	122	67%	0.669	67%	0.673	S	S	*	*	S	Bend	trans	-76.2	-21.2	-173	0	0	0	0	0	114.6	K359	A357-K359 PolarHBondContact O-N 3.24Å
358	K	41.7	Very low	42.9	Very low	202 Å²	202	123.9 Å²	123.9	88%	0.878	68%	0.681	S	S	*	*	S	Bend	trans	-79.8	34.6	-163.2	-155.3	176.9	-179.1	171.6	0	115.5	S356	S356-K358 PolarHBondContact O-N 3.04Å
359	K	36.6	Very low	40.9	Very low	189 Å²	189	122.7 Å²	122.7	82%	0.822	68%	0.681	S	S	*	*			trans	-155	60	-175.1	-152.1	-179.2	-178.9	-179.2	0	117.6	A357	A357-K359 PolarHBondContact O-N 3.24Å
360	K	40.8	Very low	39.3	Very low	186 Å²	186	124.1 Å²	124.1	81%	0.809	69%	0.692	S	S	*	*	S	Bend	trans	-165.1	122.5	152.7	-110.2	168.5	-175.1	-178.6	0	110.7
361	N	38.7	Very low	38.5	Very low	162 Å²	162	125.4 Å²	125.4	87%	0.866	70%	0.7	S	S	*	*			trans	63.3	163.7	166	-48.4	-1.2	0	0	0	113.7
362	G	33.1	Very low	37.7	Very low	57 Å²	57	126.2 Å²	126.2	59%	0.588	70%	0.702	S	S	*	*			cis	150.5	91.9	-6.7	0	0	0	0	0	109.9
363	D	31.6	Very low	37.2	Very low	175 Å²	175	127 Å²	127	94%	0.936	70%	0.703	S	S	*	*			trans	48.8	81.7	155.6	-40.6	-30.1	0	0	0	116.8
364	G	34.2	Very low	37.1	Very low	76 Å²	76	132.1 Å²	132.1	78%	0.784	72%	0.723	S	S	*	*			trans	-169	167.3	176.3	0	0	0	0	0	113.9
365	E	31.4	Very low	37	Very low	193 Å²	193	129 Å²	129	90%	0.902	71%	0.708	S	S	*	*			trans	-86.2	-160.4	178.7	-68.2	-179.6	82.8	0	0	112.4
366	E	37.6	Very low	36.9	Very low	163 Å²	163	126.6 Å²	126.6	76%	0.762	69%	0.693	S	S	*	*			trans	54	90.2	178.4	73.6	-174.4	144.9	0	0	117.9	M368	E366-M368 PolarHBondContact O-N 2.97Å
367	N	32.5	Very low	37.2	Very low	154 Å²	154	128 Å²	128	82%	0.824	69%	0.693	S	S	*	*			trans	-76.8	57.3	170.6	-166.5	11.9	0	0	0	111.9	L369	N367-L369 PolarHBondContact O-N 3.25Å
368	M	32.2	Very low	37.5	Very low	130 Å²	130	125.3 Å²	125.3	64%	0.64	67%	0.668	S	S	*	*			trans	-65.4	120.6	175.4	-174.4	85.4	75.4	0	0	109.6	E366 V370	E366-M368 PolarHBondContact O-N 2.97Å; M368-V370 HydrophobicContact CB-CG2 4.35Å; M368-V370 HydrophobicContact CG-CG2 3.85Å; M368-V370 PolarHBondContact O-N 2.94Å
369	L	31	Very low	37.6	Very low	115 Å²	115	119.7 Å²	119.7	60%	0.602	65%	0.652	S	S	*	*			trans	-78.1	75.3	174.2	-73.8	172.4	0	0	0	110.6	R38 N367 L371	R38-L369 VanDerWaalsContact NH1-CD1 3.34Å; R38-L369 VanDerWaalsContact NH2-CD1 3.34Å; N367-L369 PolarHBondContact O-N 3.25Å; L369-L371 PolarHBondContact O-N 3.49Å
370	V	31	Very low	38.3	Very low	109 Å²	109	113.6 Å²	113.6	66%	0.661	63%	0.628	S	S	*	*			trans	-64.2	98	171.7	-178.2	0	0	0	0	108.9	M368 S372	M368-V370 HydrophobicContact CB-CG2 4.35Å; M368-V370 HydrophobicContact CG-CG2 3.85Å; M368-V370 PolarHBondContact O-N 2.94Å; V370-S372 PolarHBondContact O-N 2.81Å
371	L	35.5	Very low	38.6	Very low	103 Å²	103	109.8 Å²	109.8	54%	0.539	63%	0.625	S	S	.	*			trans	-64.4	124.2	160.3	-67.8	169.6	0	0	0	107.1	L369 N373 E392 L396	L369-L371 PolarHBondContact O-N 3.49Å; L371-N373 PolarHBondContact O-N 2.76Å; L371-N373 VanDerWaalsContact O-N 3.17Å; L371-E392 WeakPolarHBondContact CD1-OE1 3.26Å; L371-L396 HydrophobicContact CD1-CD2 3.95Å
372	S	31.6	Very low	39.4	Very low	75 Å²	75	109.8 Å²	109.8	52%	0.524	62%	0.617	S	S	.	*			trans	-59	121.9	-174.6	-61.1	0	0	0	0	110.9	V370 E374	V370-S372 PolarHBondContact O-N 2.81Å; S372-E374 PolarHBondContact O-N 3.18Å
373	N	37.8	Very low	40.5	Very low	107 Å²	107	108.3 Å²	108.3	57%	0.572	59%	0.594	S	S	*	*	S	Bend	trans	-69.3	34.3	-169.4	-84.9	-30	0	0	0	115.6	L371 A375 M376	L371-N373 PolarHBondContact O-N 2.76Å; L371-N373 VanDerWaalsContact O-N 3.17Å; N373-A375 PolarHBondContact O-N 2.9Å; N373-M376 HydrophobicContact CB-CB 4.5Å; N373-M376 HydrophobicContact CB-CG 3.72Å; N373-M376 VanDerWaalsContact O-CB 3.23Å; N373-M376 WeakPolarHBondContact O-CB 3.2Å; N373-M376 WeakPolarHBondContact O-CG 3.48Å; N373-M376 PolarHBondContact O-N 2.89Å; N373-M376 VanDerWaalsContact O-N 3.11Å; N373-M376 WeakPolarHBondContact OD1-CE 3.32Å
374	E	42.8	Very low	41.6	Very low	147 Å²	147	105.4 Å²	105.4	69%	0.687	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	4.2	-179.6	-59.7	-170	117.3	0	0	113.5	S372 H434	S372-E374 PolarHBondContact O-N 3.18Å; E374-H434 PolarHBondContact O-CE1 2.7Å
375	A	43.7	Very low	42.6	Very low	40 Å²	40	109 Å²	109	33%	0.331	59%	0.586	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.2	0.6	161	0	0	0	0	0	112.9	N373 D377 R395	N373-A375 PolarHBondContact O-N 2.9Å; A375-D377 PolarHBondContact O-N 2.71Å; A375-R395 HydrophobicContact CB-CG 4.36Å
376	M	43.2	Very low	44.4	Very low	95 Å²	95	100.5 Å²	100.5	47%	0.468	55%	0.547	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	89.5	177.6	-63.2	-63.7	-179.6	0	0	111	N373	N373-M376 HydrophobicContact CB-CB 4.5Å; N373-M376 HydrophobicContact CB-CG 3.72Å; N373-M376 VanDerWaalsContact O-CB 3.23Å; N373-M376 WeakPolarHBondContact O-CB 3.2Å; N373-M376 WeakPolarHBondContact O-CG 3.48Å; N373-M376 PolarHBondContact O-N 2.89Å; N373-M376 VanDerWaalsContact O-N 3.11Å; N373-M376 WeakPolarHBondContact OD1-CE 3.32Å
377	D	50.5	Low	46.2	Very low	130 Å²	130	96.5 Å²	96.5	70%	0.695	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-166.7	12.5	140	-109.3	-12.9	0	0	0	113.3	A375 P379 Q433	A375-D377 PolarHBondContact O-N 2.71Å; D377-P379 WeakPolarHBondContact O-CD 3.3Å; D377-Q433 VanDerWaalsContact CB-NE2 3.27Å; D377-Q433 PolarHBondContact O-NE2 3.19Å; D377-Q433 PolarHBondContact O-OE1 3.3Å
378	V	49.6	Very low	48.4	Very low	24 Å²	24	95.1 Å²	95.1	15%	0.145	52%	0.523	C	S	.	.	S	Bend	trans	-69.8	115.2	167.7	-176.7	0	0	0	0	107.2	L380 Q433	V378-L380 PolarHBondContact O-N 2.98Å; V378-L380 VanDerWaalsContact O-N 3.08Å; V378-Q433 VanDerWaalsContact N-OE1 3.11Å
379	P	45.4	Very low	50.7	Low	83 Å²	83	93.3 Å²	93.3	54%	0.539	52%	0.524	S	S	.	.			trans	-70.9	113.4	-177.3	-18.8	34.5	0	0	0	109.9	D377 S381 K382	D377-P379 WeakPolarHBondContact O-CD 3.3Å; P379-S381 WeakPolarHBondContact CB-OG 3.33Å; P379-S381 PolarHBondContact O-N 3.37Å; P379-K382 PolarHBondContact O-N 2.78Å
380	L	50.1	Low	53.3	Low	62 Å²	62	88.3 Å²	88.3	33%	0.325	50%	0.498	S	S	.	.	G	3₁₀ helix	trans	-56.8	-17	175.3	-109	69.9	0	0	0	112.7	V378 K382 Y383 L386	V378-L380 PolarHBondContact O-N 2.98Å; V378-L380 VanDerWaalsContact O-N 3.08Å; L380-K382 PolarHBondContact O-N 3.43Å; L380-Y383 CarbonylContact O-C 3.49Å; L380-Y383 PolarHBondContact O-N 3.3Å; L380-L386 HydrophobicContact CD1-CD2 4.3Å; L380-L386 HydrophobicContact CG-CD2 4.16Å
381	S	48.3	Very low	55.8	Low	105 Å²	105	83.1 Å²	83.1	73%	0.734	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-59	-9.6	174.8	62.2	0	0	0	0	115.6	P379	P379-S381 WeakPolarHBondContact CB-OG 3.33Å; P379-S381 PolarHBondContact O-N 3.37Å
382	K	53.8	Low	58.1	Low	163 Å²	163	81 Å²	81	71%	0.709	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-92.1	-7.3	168	-80.9	-164.7	171.9	-171.4	0	114.8	P379 L380	P379-K382 PolarHBondContact O-N 2.78Å; L380-K382 PolarHBondContact O-N 3.43Å
383	Y	56.7	Low	60.8	Low	25 Å²	25	79.9 Å²	79.9	10%	0.098	44%	0.439	C	S	.	.			trans	-131.5	71.3	178.5	-57.4	-80.8	0	0	0	109.8	L380 N385 L386 H425 W426	L380-Y383 CarbonylContact O-C 3.49Å; L380-Y383 PolarHBondContact O-N 3.3Å; Y383-N385 PolarHBondContact O-N 3.07Å; Y383-L386 WeakPolarHBondContact O-CB 3.27Å; Y383-L386 PolarHBondContact O-N 2.75Å; Y383-H425 AromaticContact CZ-ND1 3.89Å; Y383-H425 PolarHBondContact OH-ND1 2.73Å; Y383-W426 AromaticContact CD2-CD1 3.98Å; Y383-W426 HydrophobicContact CE1-CB 4.37Å; Y383-W426 HydrophobicContact CE2-CB 4.27Å; Y383-W426 AromaticContact CE2-CD1 3.7Å; Y383-W426 HydrophobicContact CE2-CG 4.36Å; Y383-W426 VanDerWaalsContact OH-CA 3.26Å; Y383-W426 WeakPolarHBondContact OH-CA 3.02Å; Y383-W426 PolarHBondContact OH-N 2.72Å; Y383-W426 VanDerWaalsContact OH-N 3.13Å
384	P	54.3	Low	63.3	Low	115 Å²	115	74.9 Å²	74.9	75%	0.747	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-8.9	-171.3	26.6	-36	0	0	0	115.2
385	N	56.7	Low	65.3	Low	150 Å²	150	69.8 Å²	69.8	80%	0.802	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	6.3	176.4	-60.9	-25.6	0	0	0	113.2	Y383 D387	Y383-N385 PolarHBondContact O-N 3.07Å; N385-D387 PolarHBondContact O-N 3.24Å
386	L	67.4	Low	67.4	Low	16 Å²	16	71.7 Å²	71.7	8%	0.084	39%	0.39	C	S	.	.			trans	-82.2	106.4	-179.6	-173.8	71.1	0	0	0	110.3	L380 Y383 A391 L394 L418	L380-L386 HydrophobicContact CD1-CD2 4.3Å; L380-L386 HydrophobicContact CG-CD2 4.16Å; Y383-L386 WeakPolarHBondContact O-CB 3.27Å; Y383-L386 PolarHBondContact O-N 2.75Å; L386-A391 HydrophobicContact CD2-CB 3.76Å; L386-A391 HydrophobicContact CG-CB 3.94Å; L386-L394 HydrophobicContact CD1-CD1 3.97Å; L386-L418 HydrophobicContact CD1-CD1 3.62Å; L386-L418 HydrophobicContact CD1-CD2 4.18Å; L386-L418 HydrophobicContact CD1-CG 4.39Å
387	D	76.8	Confident	69.5	Low	78 Å²	78	67.6 Å²	67.6	42%	0.417	37%	0.372	S	S	.	.			trans	-70.6	156.9	173	72.4	-83	0	0	0	111.8	N385 S389 S390 A391	N385-D387 PolarHBondContact O-N 3.24Å; D387-S389 PolarHBondContact O-N 2.93Å; D387-S389 WeakPolarHBondContact OD2-CA 3.38Å; D387-S389 WeakPolarHBondContact OD2-CB 3.39Å; D387-S389 PolarHBondContact OD2-N 2.87Å; D387-S390 PolarHBondContact O-N 3.39Å; D387-S390 WeakPolarHBondContact OD1-CB 3.49Å; D387-S390 PolarHBondContact OD1-OG 2.84Å; D387-S390 PolarHBondContact OD2-N 3.18Å; D387-A391 WeakPolarHBondContact O-CB 3.21Å; D387-A391 PolarHBondContact O-N 2.77Å
388	D	77.6	Confident	71.2	Confident	125 Å²	125	62.4 Å²	62.4	67%	0.668	34%	0.343	S	S	*	.	H	α-helix	trans	-61.8	-28.4	-176.9	-77.6	-48.5	0	0	0	113.8	E392	D388-E392 WeakPolarHBondContact O-CB 3.31Å; D388-E392 PolarHBondContact O-N 2.83Å
389	S	82.2	Confident	72.7	Confident	93 Å²	93	63.4 Å²	63.4	65%	0.65	35%	0.35	S	S	*	.	H	α-helix	trans	-74.1	-44.5	178.5	-170.1	0	0	0	0	110.7	D387 E392 R393	D387-S389 PolarHBondContact O-N 2.93Å; D387-S389 WeakPolarHBondContact OD2-CA 3.38Å; D387-S389 WeakPolarHBondContact OD2-CB 3.39Å; D387-S389 PolarHBondContact OD2-N 2.87Å; S389-E392 PolarHBondContact O-N 3.21Å; S389-R393 VanDerWaalsContact O-CB 3.31Å; S389-R393 WeakPolarHBondContact O-CB 3.45Å; S389-R393 PolarHBondContact O-N 3.08Å
390	S	83.8	Confident	74.4	Confident	9 Å²	9	62.3 Å²	62.3	6%	0.063	35%	0.348	C	S	.	.	H	α-helix	trans	-63.5	-41.7	170.9	-66.2	0	0	0	0	112.2	D387 E392 R393 L394 T416	D387-S390 PolarHBondContact O-N 3.39Å; D387-S390 WeakPolarHBondContact OD1-CB 3.49Å; D387-S390 PolarHBondContact OD1-OG 2.84Å; D387-S390 PolarHBondContact OD2-N 3.18Å; S390-E392 PolarHBondContact O-N 3.04Å; S390-R393 PolarHBondContact O-N 3.46Å; S390-L394 WeakPolarHBondContact O-CG 3.19Å; S390-L394 PolarHBondContact O-N 2.84Å; S390-T416 WeakPolarHBondContact OG-CA 3.34Å; S390-T416 WeakPolarHBondContact OG-CB 3.32Å; S390-T416 PolarHBondContact OG-O 3.33Å
391	A	84.7	Confident	75.8	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.008	34%	0.338	C	S	.	.	H	α-helix	trans	-58.3	-47.3	175.4	0	0	0	0	0	111.2	L386 D387 L394 R395	L386-A391 HydrophobicContact CD2-CB 3.76Å; L386-A391 HydrophobicContact CG-CB 3.94Å; D387-A391 WeakPolarHBondContact O-CB 3.21Å; D387-A391 PolarHBondContact O-N 2.77Å; A391-L394 PolarHBondContact O-N 3.16Å; A391-R395 WeakPolarHBondContact O-CG 3.28Å; A391-R395 PolarHBondContact O-N 3.48Å
392	E	84.2	Confident	77.4	Confident	58 Å²	58	55.9 Å²	55.9	27%	0.271	31%	0.308	S	S	.	.	H	α-helix	trans	-66.9	-37	176.1	-168.7	56.2	-150.6	0	0	111.9	L371 D388 S389 S390 L394 R395 L396	L371-E392 WeakPolarHBondContact CD1-OE1 3.26Å; D388-E392 WeakPolarHBondContact O-CB 3.31Å; D388-E392 PolarHBondContact O-N 2.83Å; S389-E392 PolarHBondContact O-N 3.21Å; S390-E392 PolarHBondContact O-N 3.04Å; E392-L394 VanDerWaalsContact C-N 3.31Å; E392-L394 PolarHBondContact O-N 3.3Å; E392-R395 PolarHBondContact O-N 3.45Å; E392-R395 WeakPolarHBondContact OE2-CD 3.41Å; E392-R395 IonicContact OE2-CZ 3.71Å; E392-R395 IonicContact OE2-NE 3.95Å; E392-R395 IonicContact OE2-NH1 2.74Å; E392-R395 PolarHBondContact OE2-NH1 2.67Å; E392-L396 HydrophobicContact CG-CD1 4.36Å; E392-L396 WeakPolarHBondContact O-CB 3.48Å; E392-L396 WeakPolarHBondContact O-CG 3.43Å; E392-L396 PolarHBondContact O-N 3.41Å
393	R	87.6	Confident	78.8	Confident	52 Å²	52	49.8 Å²	49.8	20%	0.196	28%	0.28	C	S	.	.	H	α-helix	trans	-65.5	-35.1	177.5	-172.1	58.9	-170.6	76.2	14.9	112.7	S389 S390 A397 E415 T416	S389-R393 VanDerWaalsContact O-CB 3.31Å; S389-R393 WeakPolarHBondContact O-CB 3.45Å; S389-R393 PolarHBondContact O-N 3.08Å; S390-R393 PolarHBondContact O-N 3.46Å; R393-A397 WeakPolarHBondContact O-CB 3.47Å; R393-A397 PolarHBondContact O-N 3.24Å; R393-E415 WeakPolarHBondContact CD-OE1 3.39Å; R393-E415 HydrophobicContact CG-CG 4.28Å; R393-E415 IonicContact CZ-OE1 3.96Å; R393-E415 IonicContact CZ-OE2 3.24Å; R393-E415 IonicContact NE-OE1 3.03Å; R393-E415 PolarHBondContact NE-OE1 2.59Å; R393-E415 IonicContact NE-OE2 2.84Å; R393-E415 PolarHBondContact NE-OE2 3.26Å; R393-E415 IonicContact NH2-OE1 2.67Å; R393-E415 IonicContact NH2-OE2 2.87Å; R393-E415 PolarHBondContact NH2-OE2 3.29Å; R393-T416 HydrophobicContact CB-CG2 4.32Å; R393-T416 HydrophobicContact CG-CG2 4.38Å
394	L	89.5	Confident	80.1	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-69.5	-42.1	170.2	-68.8	179.3	0	0	0	112.2	L386 S390 A391 E392 L396 A397 Y398 L412 T416 L418 I423 W426 F427	L386-L394 HydrophobicContact CD1-CD1 3.97Å; S390-L394 WeakPolarHBondContact O-CG 3.19Å; S390-L394 PolarHBondContact O-N 2.84Å; A391-L394 PolarHBondContact O-N 3.16Å; E392-L394 VanDerWaalsContact C-N 3.31Å; E392-L394 PolarHBondContact O-N 3.3Å; L394-L396 VanDerWaalsContact C-N 3.33Å; L394-L396 PolarHBondContact O-N 3.26Å; L394-A397 WeakPolarHBondContact O-CB 3.47Å; L394-A397 PolarHBondContact O-N 3.48Å; L394-A397 VanDerWaalsContact O-N 3.1Å; L394-Y398 WeakPolarHBondContact O-CB 3.2Å; L394-Y398 PolarHBondContact O-N 2.94Å; L394-L412 HydrophobicContact CD2-CD1 4.49Å; L394-T416 HydrophobicContact CD2-CG2 4.45Å; L394-T416 HydrophobicContact CG-CG2 4.41Å; L394-L418 HydrophobicContact CD1-CD1 3.73Å; L394-I423 HydrophobicContact CD2-CG1 4.21Å; L394-I423 HydrophobicContact CD2-CG2 4.27Å; L394-W426 VanDerWaalsContact C-CH2 3.42Å; L394-W426 HydrophobicContact CB-CD2 4.18Å; L394-W426 HydrophobicContact CB-CE3 4.01Å; L394-W426 HydrophobicContact CB-CH2 3.62Å; L394-W426 HydrophobicContact CB-CZ2 3.73Å; L394-W426 HydrophobicContact CB-CZ3 3.75Å; L394-W426 HydrophobicContact CD1-CD2 3.84Å; L394-W426 HydrophobicContact CD1-CE3 4.21Å; L394-W426 HydrophobicContact CD1-CG 4.01Å; L394-W426 WeakPolarHBondContact O-CH2 3.3Å; L394-F427 HydrophobicContact CD2-CE2 4.05Å
395	R	86.2	Confident	81.4	Confident	41 Å²	41	47.3 Å²	47.3	16%	0.155	27%	0.266	C	S	.	.	H	α-helix	trans	-59.1	-42.4	172.8	-69.1	176.7	-157.8	116.9	4.3	111.9	A375 A391 E392 A397 Y398 S399 W426	A375-R395 HydrophobicContact CB-CG 4.36Å; A391-R395 WeakPolarHBondContact O-CG 3.28Å; A391-R395 PolarHBondContact O-N 3.48Å; E392-R395 PolarHBondContact O-N 3.45Å; E392-R395 WeakPolarHBondContact OE2-CD 3.41Å; E392-R395 IonicContact OE2-CZ 3.71Å; E392-R395 IonicContact OE2-NE 3.95Å; E392-R395 IonicContact OE2-NH1 2.74Å; E392-R395 PolarHBondContact OE2-NH1 2.67Å; R395-A397 VanDerWaalsContact C-N 3.31Å; R395-A397 PolarHBondContact O-N 3.22Å; R395-Y398 PolarHBondContact O-N 3.16Å; R395-S399 PolarHBondContact O-N 3.36Å; R395-S399 PolarHBondContact O-OG 3.14Å; R395-S399 VanDerWaalsContact O-OG 3.06Å; R395-W426 HydrophobicContact CG-CZ2 4.4Å
396	L	87	Confident	82.8	Confident	79 Å²	79	46.4 Å²	46.4	41%	0.414	26%	0.26	S	S	.	.	H	α-helix	trans	-66.6	-30.6	174.5	-71.6	172.6	0	0	0	112.9	L371 E392 L394 S399 A400	L371-L396 HydrophobicContact CD1-CD2 3.95Å; E392-L396 HydrophobicContact CG-CD1 4.36Å; E392-L396 WeakPolarHBondContact O-CB 3.48Å; E392-L396 WeakPolarHBondContact O-CG 3.43Å; E392-L396 PolarHBondContact O-N 3.41Å; L394-L396 VanDerWaalsContact C-N 3.33Å; L394-L396 PolarHBondContact O-N 3.26Å; L396-S399 WeakPolarHBondContact CA-OG 3.28Å; L396-S399 PolarHBondContact O-OG 3.47Å; L396-S399 VanDerWaalsContact O-OG 3.14Å; L396-A400 PolarHBondContact O-N 3.35Å
397	A	86.8	Confident	83.8	Confident	10 Å²	10	53.2 Å²	53.2	8%	0.083	29%	0.292	C	S	.	.	H	α-helix	trans	-75	-45	174.2	0	0	0	0	0	112	R393 L394 R395 S399 A400 N401 L412 F427	R393-A397 WeakPolarHBondContact O-CB 3.47Å; R393-A397 PolarHBondContact O-N 3.24Å; L394-A397 WeakPolarHBondContact O-CB 3.47Å; L394-A397 PolarHBondContact O-N 3.48Å; L394-A397 VanDerWaalsContact O-N 3.1Å; R395-A397 VanDerWaalsContact C-N 3.31Å; R395-A397 PolarHBondContact O-N 3.22Å; A397-S399 VanDerWaalsContact C-N 3.29Å; A397-S399 PolarHBondContact O-N 3.34Å; A397-A400 WeakPolarHBondContact O-CB 3.19Å; A397-A400 PolarHBondContact O-N 2.92Å; A397-N401 PolarHBondContact O-N 3.44Å; A397-L412 HydrophobicContact CB-CD1 3.65Å; A397-L412 HydrophobicContact CB-CD2 3.65Å; A397-L412 HydrophobicContact CB-CG 4.3Å; A397-F427 HydrophobicContact CB-CZ 3.75Å
398	Y	87	Confident	84.3	Confident	21 Å²	21	53.4 Å²	53.4	8%	0.082	29%	0.29	C	S	.	.	H	α-helix	trans	-59.6	-38.1	175.6	-170.3	-103.1	0	0	0	112.9	L394 R395 A400 N401 A402 W426 F427 C430 R431 H434	L394-Y398 WeakPolarHBondContact O-CB 3.2Å; L394-Y398 PolarHBondContact O-N 2.94Å; R395-Y398 PolarHBondContact O-N 3.16Å; Y398-A400 VanDerWaalsContact C-N 3.34Å; Y398-N401 CarbonylContact O-C 3.48Å; Y398-A402 HydrophobicContact CD2-CB 4.38Å; Y398-A402 HydrophobicContact CE2-CB 3.95Å; Y398-W426 HydrophobicContact CD2-CZ3 4.24Å; Y398-W426 HydrophobicContact CG-CH2 4.39Å; Y398-W426 HydrophobicContact CG-CZ3 4.3Å; Y398-F427 AromaticContact CD2-CD1 3.64Å; Y398-F427 HydrophobicContact CD2-CD1 3.64Å; Y398-F427 AromaticContact CD2-CE1 3.92Å; Y398-F427 HydrophobicContact CD2-CE1 3.92Å; Y398-F427 HydrophobicContact CD2-CG 4.48Å; Y398-F427 HydrophobicContact CE2-CD1 4.39Å; Y398-C430 HydrophobicContact CD1-CB 4.48Å; Y398-C430 HydrophobicContact CD2-CB 3.8Å; Y398-C430 HydrophobicContact CE1-CB 4.1Å; Y398-C430 HydrophobicContact CE2-CB 3.36Å; Y398-C430 HydrophobicContact CG-CB 4.36Å; Y398-C430 PolarHBondContact OH-O 2.62Å; Y398-R431 HydrophobicContact CE2-CG 4.05Å; Y398-R431 WeakPolarHBondContact OH-CA 3.37Å; Y398-R431 PolarHBondContact OH-N 3.25Å; Y398-H434 AromaticContact CE1-CD2 3.66Å; Y398-H434 AromaticContact CZ-CD2 3.91Å; Y398-H434 PolarHBondContact OH-CD2 3.45Å
399	S	80.3	Confident	84.8	Confident	44 Å²	44	48.7 Å²	48.7	31%	0.308	26%	0.264	S	S	.	.	H	α-helix	trans	-71.6	-26	175	59.2	0	0	0	0	113.3	M350 R395 L396 A397	M350-S399 WeakPolarHBondContact CE-O 3.43Å; R395-S399 PolarHBondContact O-N 3.36Å; R395-S399 PolarHBondContact O-OG 3.14Å; R395-S399 VanDerWaalsContact O-OG 3.06Å; L396-S399 WeakPolarHBondContact CA-OG 3.28Å; L396-S399 PolarHBondContact O-OG 3.47Å; L396-S399 VanDerWaalsContact O-OG 3.14Å; A397-S399 VanDerWaalsContact C-N 3.29Å; A397-S399 PolarHBondContact O-N 3.34Å
400	A	82.7	Confident	85.2	Confident	60 Å²	60	47.7 Å²	47.7	50%	0.496	25%	0.252	S	S	.	.	H	α-helix	trans	-78.9	-43.8	172	0	0	0	0	0	112.9	L396 A397 Y398	L396-A400 PolarHBondContact O-N 3.35Å; A397-A400 WeakPolarHBondContact O-CB 3.19Å; A397-A400 PolarHBondContact O-N 2.92Å; Y398-A400 VanDerWaalsContact C-N 3.34Å
401	N	78.4	Confident	85.5	Confident	21 Å²	21	52.8 Å²	52.8	11%	0.112	27%	0.273	C	S	.	.			trans	-152.5	116.5	-179.9	-177.9	10.5	0	0	0	110.9	A397 Y398 Y403 E408 F427	A397-N401 PolarHBondContact O-N 3.44Å; Y398-N401 CarbonylContact O-C 3.48Å; N401-Y403 VanDerWaalsContact C-N 3.26Å; N401-Y403 PolarHBondContact ND2-O 3.02Å; N401-Y403 PolarHBondContact O-N 2.97Å; N401-Y403 PolarHBondContact OD1-N 3.48Å; N401-Y403 PolarHBondContact OD1-O 3.23Å; N401-E408 PolarHBondContact ND2-OE2 3.32Å; N401-F427 WeakPolarHBondContact O-CE1 3.44Å
402	A	82.7	Confident	85.8	Confident	11 Å²	11	53 Å²	53	9%	0.091	27%	0.273	C	S	.	.	S	Bend	trans	-75.1	-11.1	177.6	0	0	0	0	0	114.2	Y398 R431	Y398-A402 HydrophobicContact CD2-CB 4.38Å; Y398-A402 HydrophobicContact CE2-CB 3.95Å; A402-R431 WeakPolarHBondContact O-CD 3.47Å; A402-R431 PolarHBondContact O-NH1 3.49Å
403	Y	82	Confident	86.1	Confident	35 Å²	35	51.1 Å²	51.1	14%	0.137	27%	0.268	C	S	.	.	S	Bend	trans	-127.8	73.9	177.4	-57.9	-83.3	0	0	0	109.7	Y281 E342 N401 I436 P437 L439	Y281-Y403 PolarHBondContact OH-OH 2.83Å; E342-Y403 HydrophobicContact CB-CE2 4.35Å; E342-Y403 VanDerWaalsContact OE1-CE2 3.27Å; E342-Y403 WeakPolarHBondContact OE1-CE2 3.31Å; E342-Y403 PolarHBondContact OE1-OH 2.9Å; E342-Y403 VanDerWaalsContact OE1-OH 3.04Å; N401-Y403 VanDerWaalsContact C-N 3.26Å; N401-Y403 PolarHBondContact ND2-O 3.02Å; N401-Y403 PolarHBondContact O-N 2.97Å; N401-Y403 PolarHBondContact OD1-N 3.48Å; N401-Y403 PolarHBondContact OD1-O 3.23Å; Y403-I436 HydrophobicContact CE2-CG2 4.31Å; Y403-I436 WeakPolarHBondContact OH-CG2 3.28Å; Y403-P437 PolarHBondContact OH-O 3Å; Y403-L439 HydrophobicContact CD1-CB 4.48Å; Y403-L439 HydrophobicContact CD1-CD1 3.75Å; Y403-L439 HydrophobicContact CE1-CB 4.39Å; Y403-L439 HydrophobicContact CE1-CD1 3.47Å; Y403-L439 VanDerWaalsContact CE1-CD1 3.47Å; Y403-L439 HydrophobicContact CE2-CD1 4.45Å; Y403-L439 HydrophobicContact CG-CD1 4.33Å
404	P	84.1	Confident	86.2	Confident	19 Å²	19	56.2 Å²	56.2	12%	0.123	29%	0.294	C	S	.	.			trans	-61.5	140.6	-176.8	28.1	-37	0	0	0	110.8	E408 M409 F427	P404-E408 VanDerWaalsContact CA-OE2 3.28Å; P404-E408 WeakPolarHBondContact CA-OE2 3.41Å; P404-E408 HydrophobicContact CB-CB 3.93Å; P404-M409 HydrophobicContact CB-CG 3.92Å; P404-M409 HydrophobicContact CG-CG 3.75Å; P404-M409 HydrophobicContact CG-SD 4.35Å; P404-F427 HydrophobicContact CB-CE1 4.28Å; P404-F427 HydrophobicContact CB-CZ 4.33Å; P404-F427 HydrophobicContact CG-CD1 3.59Å; P404-F427 HydrophobicContact CG-CD2 4Å; P404-F427 HydrophobicContact CG-CE1 3.63Å; P404-F427 HydrophobicContact CG-CE2 4.05Å; P404-F427 HydrophobicContact CG-CG 3.78Å; P404-F427 HydrophobicContact CG-CZ 3.86Å
405	T	82.9	Confident	86.1	Confident	69 Å²	69	60.8 Å²	60.8	42%	0.423	32%	0.315	S	S	.	.			trans	-67.5	167.3	171.7	74.3	0	0	0	0	110.8	E407 E408 M409	T405-E407 PolarHBondContact O-N 2.94Å; T405-E407 PolarHBondContact OG1-N 3.36Å; T405-E408 PolarHBondContact N-OE2 2.91Å; T405-E408 PolarHBondContact O-N 3.1Å; T405-E408 WeakPolarHBondContact OG1-CG 3.39Å; T405-E408 PolarHBondContact OG1-N 2.87Å; T405-E408 VanDerWaalsContact OG1-N 3.09Å; T405-M409 WeakPolarHBondContact O-CB 3.37Å; T405-M409 WeakPolarHBondContact O-CG 3.45Å; T405-M409 PolarHBondContact O-N 3.05Å
406	I	84.5	Confident	86.2	Confident	131 Å²	131	59.5 Å²	59.5	67%	0.672	31%	0.312	S	S	*	.	H	α-helix	trans	-58.5	-36.7	174.1	-58.6	174.4	0	0	0	110.6	M409 N410	I406-M409 PolarHBondContact O-N 3.1Å; I406-N410 WeakPolarHBondContact O-CB 3.41Å; I406-N410 PolarHBondContact O-N 3.36Å; I406-N410 PolarHBondContact O-ND2 3.08Å; I406-N410 PolarHBondContact O-OD1 2.92Å
407	E	88	Confident	86.1	Confident	160 Å²	160	59.2 Å²	59.2	75%	0.748	33%	0.328	S	S	*	.	H	α-helix	trans	-67.2	-43.5	176.3	-61.7	175.1	178.3	0	0	111.8	T405 N410 F411	T405-E407 PolarHBondContact O-N 2.94Å; T405-E407 PolarHBondContact OG1-N 3.36Å; E407-N410 PolarHBondContact O-N 3.48Å; E407-F411 PolarHBondContact O-N 3.4Å
408	E	87.4	Confident	86.2	Confident	82 Å²	82	60.1 Å²	60.1	38%	0.383	33%	0.332	S	S	.	.	H	α-helix	trans	-65.1	-38.4	174.6	-68.6	177.2	136.4	0	0	111.6	N401 P404 T405 F411 L412	N401-E408 PolarHBondContact ND2-OE2 3.32Å; P404-E408 VanDerWaalsContact CA-OE2 3.28Å; P404-E408 WeakPolarHBondContact CA-OE2 3.41Å; P404-E408 HydrophobicContact CB-CB 3.93Å; T405-E408 PolarHBondContact N-OE2 2.91Å; T405-E408 PolarHBondContact O-N 3.1Å; T405-E408 WeakPolarHBondContact OG1-CG 3.39Å; T405-E408 PolarHBondContact OG1-N 2.87Å; T405-E408 VanDerWaalsContact OG1-N 3.09Å; E408-F411 PolarHBondContact O-N 3.33Å; E408-L412 WeakPolarHBondContact O-CB 3.37Å; E408-L412 WeakPolarHBondContact O-CG 3.49Å; E408-L412 PolarHBondContact O-N 2.87Å
409	M	88.6	Confident	86.2	Confident	25 Å²	25	62.7 Å²	62.7	12%	0.123	35%	0.35	C	S	.	.	H	α-helix	trans	-65.8	-40.3	174.7	-72.6	173.2	49.2	0	0	112.5	P404 T405 I406 L412 A413 T420 I423	P404-M409 HydrophobicContact CB-CG 3.92Å; P404-M409 HydrophobicContact CG-CG 3.75Å; P404-M409 HydrophobicContact CG-SD 4.35Å; T405-M409 WeakPolarHBondContact O-CB 3.37Å; T405-M409 WeakPolarHBondContact O-CG 3.45Å; T405-M409 PolarHBondContact O-N 3.05Å; I406-M409 PolarHBondContact O-N 3.1Å; M409-L412 PolarHBondContact O-N 3.28Å; M409-A413 PolarHBondContact O-N 3.37Å; M409-T420 WeakPolarHBondContact CE-O 3.25Å; M409-I423 HydrophobicContact CG-CG2 4.29Å
410	N	90.1	Very high	86.6	Confident	73 Å²	73	63.3 Å²	63.3	39%	0.39	35%	0.352	S	S	.	.	H	α-helix	trans	-64.4	-45	175.1	-68.9	-10.7	0	0	0	110.9	I406 E407 L412 A413 E414 T420	I406-N410 WeakPolarHBondContact O-CB 3.41Å; I406-N410 PolarHBondContact O-N 3.36Å; I406-N410 PolarHBondContact O-ND2 3.08Å; I406-N410 PolarHBondContact O-OD1 2.92Å; E407-N410 PolarHBondContact O-N 3.48Å; N410-L412 VanDerWaalsContact C-N 3.3Å; N410-L412 PolarHBondContact O-N 2.99Å; N410-A413 WeakPolarHBondContact O-CB 3.22Å; N410-A413 PolarHBondContact O-N 3.07Å; N410-A413 VanDerWaalsContact O-N 3.09Å; N410-E414 PolarHBondContact O-N 3.02Å; N410-T420 VanDerWaalsContact OD1-CG2 3.3Å; N410-T420 WeakPolarHBondContact OD1-CG2 3.38Å
411	F	91.5	Very high	86.8	Confident	115 Å²	115	63.6 Å²	63.6	50%	0.504	35%	0.354	S	S	.	.	H	α-helix	trans	-62.1	-37.4	176.4	-172.3	-95.8	0	0	0	112.2	E407 E408 E414 E415	E407-F411 PolarHBondContact O-N 3.4Å; E408-F411 PolarHBondContact O-N 3.33Å; F411-E414 PolarHBondContact O-N 3.08Å; F411-E415 VanDerWaalsContact CE1-OE2 3.22Å; F411-E415 WeakPolarHBondContact CE1-OE2 3.37Å; F411-E415 WeakPolarHBondContact O-CB 3.44Å; F411-E415 PolarHBondContact O-N 3.44Å
412	L	90.4	Very high	87.2	Confident	5 Å²	5	65.5 Å²	65.5	3%	0.026	36%	0.364	C	S	.	.	H	α-helix	trans	-69.8	-32.9	173.3	-68.1	167.5	0	0	0	112.5	L394 A397 E408 M409 N410 E415 T416 I423 F427	L394-L412 HydrophobicContact CD2-CD1 4.49Å; A397-L412 HydrophobicContact CB-CD1 3.65Å; A397-L412 HydrophobicContact CB-CD2 3.65Å; A397-L412 HydrophobicContact CB-CG 4.3Å; E408-L412 WeakPolarHBondContact O-CB 3.37Å; E408-L412 WeakPolarHBondContact O-CG 3.49Å; E408-L412 PolarHBondContact O-N 2.87Å; M409-L412 PolarHBondContact O-N 3.28Å; N410-L412 VanDerWaalsContact C-N 3.3Å; N410-L412 PolarHBondContact O-N 2.99Å; L412-E415 PolarHBondContact O-N 3.03Å; L412-T416 WeakPolarHBondContact O-CB 3.37Å; L412-T416 WeakPolarHBondContact O-CG2 3.37Å; L412-T416 PolarHBondContact O-N 3.16Å; L412-T416 PolarHBondContact O-OG1 3.41Å; L412-I423 HydrophobicContact CB-CD1 3.88Å; L412-I423 HydrophobicContact CB-CG2 4.46Å; L412-I423 HydrophobicContact CD1-CG2 4.41Å; L412-F427 HydrophobicContact CD1-CE2 3.83Å; L412-F427 HydrophobicContact CD1-CZ 3.87Å
413	A	90.1	Very high	87.4	Confident	19 Å²	19	65 Å²	65	16%	0.157	36%	0.36	C	S	.	.	H	α-helix	trans	-64.6	-43	172.8	0	0	0	0	0	111.3	M409 N410 E415 G417 L418 T420 I423	M409-A413 PolarHBondContact O-N 3.37Å; N410-A413 WeakPolarHBondContact O-CB 3.22Å; N410-A413 PolarHBondContact O-N 3.07Å; N410-A413 VanDerWaalsContact O-N 3.09Å; A413-E415 PolarHBondContact O-N 3.33Å; A413-G417 WeakPolarHBondContact O-CA 3.34Å; A413-G417 PolarHBondContact O-N 2.92Å; A413-L418 VanDerWaalsContact CB-O 3.29Å; A413-L418 WeakPolarHBondContact CB-O 3.44Å; A413-T420 HydrophobicContact CB-CG2 3.85Å; A413-I423 VanDerWaalsContact CA-CD1 3.5Å; A413-I423 HydrophobicContact CB-CD1 3.86Å; A413-I423 VanDerWaalsContact N-CD1 3.28Å
414	E	90	Very high	87.7	Confident	160 Å²	160	64.9 Å²	64.9	75%	0.748	36%	0.364	S	S	*	.	H	α-helix	trans	-63.1	-38.7	173.7	-69.6	175.5	-171.5	0	0	112.7	N410 F411	N410-E414 PolarHBondContact O-N 3.02Å; F411-E414 PolarHBondContact O-N 3.08Å
415	E	87.4	Confident	87.7	Confident	96 Å²	96	68.2 Å²	68.2	45%	0.449	38%	0.378	S	S	.	.	H	α-helix	trans	-84.1	-18.2	-176.8	-160	176.3	172.8	0	0	114.2	R393 F411 L412 A413	R393-E415 WeakPolarHBondContact CD-OE1 3.39Å; R393-E415 HydrophobicContact CG-CG 4.28Å; R393-E415 IonicContact CZ-OE1 3.96Å; R393-E415 IonicContact CZ-OE2 3.24Å; R393-E415 IonicContact NE-OE1 3.03Å; R393-E415 PolarHBondContact NE-OE1 2.59Å; R393-E415 IonicContact NE-OE2 2.84Å; R393-E415 PolarHBondContact NE-OE2 3.26Å; R393-E415 IonicContact NH2-OE1 2.67Å; R393-E415 IonicContact NH2-OE2 2.87Å; R393-E415 PolarHBondContact NH2-OE2 3.29Å; F411-E415 VanDerWaalsContact CE1-OE2 3.22Å; F411-E415 WeakPolarHBondContact CE1-OE2 3.37Å; F411-E415 WeakPolarHBondContact O-CB 3.44Å; F411-E415 PolarHBondContact O-N 3.44Å; L412-E415 PolarHBondContact O-N 3.03Å; A413-E415 PolarHBondContact O-N 3.33Å
416	T	87.5	Confident	88	Confident	14 Å²	14	65.6 Å²	65.6	9%	0.086	36%	0.36	C	S	.	.	H	α-helix	trans	-117.4	-11	-178.8	63.6	0	0	0	0	114.9	S390 R393 L394 L412 L418	S390-T416 WeakPolarHBondContact OG-CA 3.34Å; S390-T416 WeakPolarHBondContact OG-CB 3.32Å; S390-T416 PolarHBondContact OG-O 3.33Å; R393-T416 HydrophobicContact CB-CG2 4.32Å; R393-T416 HydrophobicContact CG-CG2 4.38Å; L394-T416 HydrophobicContact CD2-CG2 4.45Å; L394-T416 HydrophobicContact CG-CG2 4.41Å; L412-T416 WeakPolarHBondContact O-CB 3.37Å; L412-T416 WeakPolarHBondContact O-CG2 3.37Å; L412-T416 PolarHBondContact O-N 3.16Å; L412-T416 PolarHBondContact O-OG1 3.41Å; T416-L418 PolarHBondContact O-N 3.32Å; T416-L418 WeakPolarHBondContact OG1-CD1 3.4Å; T416-L418 WeakPolarHBondContact OG1-CG 3.32Å
417	G	86.5	Confident	88.2	Confident	73 Å²	73	59.4 Å²	59.4	75%	0.753	33%	0.328	S	S	*	.			trans	70	2.9	-175.1	0	0	0	0	0	115.2	A413	A413-G417 WeakPolarHBondContact O-CA 3.34Å; A413-G417 PolarHBondContact O-N 2.92Å
418	L	87.2	Confident	87.9	Confident	30 Å²	30	52.2 Å²	52.2	16%	0.157	30%	0.296	C	S	.	.			trans	-79	160.4	177.4	-59.1	171.3	0	0	0	111.6	L386 L394 A413 T416 D422 I423	L386-L418 HydrophobicContact CD1-CD1 3.62Å; L386-L418 HydrophobicContact CD1-CD2 4.18Å; L386-L418 HydrophobicContact CD1-CG 4.39Å; L394-L418 HydrophobicContact CD1-CD1 3.73Å; A413-L418 VanDerWaalsContact CB-O 3.29Å; A413-L418 WeakPolarHBondContact CB-O 3.44Å; T416-L418 PolarHBondContact O-N 3.32Å; T416-L418 WeakPolarHBondContact OG1-CD1 3.4Å; T416-L418 WeakPolarHBondContact OG1-CG 3.32Å; L418-D422 HydrophobicContact CB-CB 4.39Å; L418-I423 HydrophobicContact CB-CD1 4.09Å; L418-I423 HydrophobicContact CB-CG1 3.95Å; L418-I423 HydrophobicContact CD1-CG1 4.06Å
419	T	88.7	Confident	87.6	Confident	75 Å²	75	49.4 Å²	49.4	46%	0.46	29%	0.287	S	S	.	.			trans	-73.2	152.7	168.5	77.9	0	0	0	0	110.8	A421 D422 I423	T419-A421 PolarHBondContact O-N 3.49Å; T419-A421 PolarHBondContact OG1-N 3.16Å; T419-D422 VanDerWaalsContact CB-OD2 3.31Å; T419-D422 WeakPolarHBondContact CB-OD2 3.46Å; T419-D422 WeakPolarHBondContact CG2-OD2 3.29Å; T419-D422 PolarHBondContact N-OD2 3.15Å; T419-D422 PolarHBondContact O-N 3.45Å; T419-D422 VanDerWaalsContact O-N 3.14Å; T419-D422 PolarHBondContact OG1-N 2.77Å; T419-D422 PolarHBondContact OG1-OD2 2.99Å; T419-I423 WeakPolarHBondContact O-CG1 3.21Å; T419-I423 PolarHBondContact O-N 2.98Å; T419-I423 VanDerWaalsContact O-N 3.08Å
420	T	88	Confident	87.4	Confident	57 Å²	57	48.4 Å²	48.4	35%	0.35	28%	0.282	S	S	.	.	H	α-helix	trans	-59.7	-26.9	172.1	51.4	0	0	0	0	112.2	M409 N410 A413 S424	M409-T420 WeakPolarHBondContact CE-O 3.25Å; N410-T420 VanDerWaalsContact OD1-CG2 3.3Å; N410-T420 WeakPolarHBondContact OD1-CG2 3.38Å; A413-T420 HydrophobicContact CB-CG2 3.85Å; T420-S424 WeakPolarHBondContact O-CB 3.38Å; T420-S424 PolarHBondContact O-N 3.45Å
421	A	86.8	Confident	87	Confident	65 Å²	65	46 Å²	46	54%	0.537	27%	0.267	S	S	.	.	H	α-helix	trans	-70.3	-44.8	173.8	0	0	0	0	0	112.2	T419 I423 S424 H425	T419-A421 PolarHBondContact O-N 3.49Å; T419-A421 PolarHBondContact OG1-N 3.16Å; A421-I423 VanDerWaalsContact C-N 3.31Å; A421-I423 PolarHBondContact O-N 2.93Å; A421-S424 PolarHBondContact O-N 3.43Å; A421-H425 WeakPolarHBondContact O-CB 3.29Å; A421-H425 PolarHBondContact O-N 3.44Å
422	D	87	Confident	86.1	Confident	62 Å²	62	46.2 Å²	46.2	33%	0.332	27%	0.265	S	S	.	.	H	α-helix	trans	-59.1	-45.3	174.9	-62.6	-56.9	0	0	0	110.8	L418 T419 H425 W426	L418-D422 HydrophobicContact CB-CB 4.39Å; T419-D422 VanDerWaalsContact CB-OD2 3.31Å; T419-D422 WeakPolarHBondContact CB-OD2 3.46Å; T419-D422 WeakPolarHBondContact CG2-OD2 3.29Å; T419-D422 PolarHBondContact N-OD2 3.15Å; T419-D422 PolarHBondContact O-N 3.45Å; T419-D422 VanDerWaalsContact O-N 3.14Å; T419-D422 PolarHBondContact OG1-N 2.77Å; T419-D422 PolarHBondContact OG1-OD2 2.99Å; D422-H425 PolarHBondContact O-N 3.35Å; D422-W426 VanDerWaalsContact O-CB 3.28Å; D422-W426 WeakPolarHBondContact O-CB 3.42Å; D422-W426 PolarHBondContact O-N 3.33Å
423	I	87.6	Confident	85.3	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61.7	-49	176.6	-66	168.2	0	0	0	110.1	L394 M409 L412 A413 L418 T419 A421 H425 W426 F427	L394-I423 HydrophobicContact CD2-CG1 4.21Å; L394-I423 HydrophobicContact CD2-CG2 4.27Å; M409-I423 HydrophobicContact CG-CG2 4.29Å; L412-I423 HydrophobicContact CB-CD1 3.88Å; L412-I423 HydrophobicContact CB-CG2 4.46Å; L412-I423 HydrophobicContact CD1-CG2 4.41Å; A413-I423 VanDerWaalsContact CA-CD1 3.5Å; A413-I423 HydrophobicContact CB-CD1 3.86Å; A413-I423 VanDerWaalsContact N-CD1 3.28Å; L418-I423 HydrophobicContact CB-CD1 4.09Å; L418-I423 HydrophobicContact CB-CG1 3.95Å; L418-I423 HydrophobicContact CD1-CG1 4.06Å; T419-I423 WeakPolarHBondContact O-CG1 3.21Å; T419-I423 PolarHBondContact O-N 2.98Å; T419-I423 VanDerWaalsContact O-N 3.08Å; A421-I423 VanDerWaalsContact C-N 3.31Å; A421-I423 PolarHBondContact O-N 2.93Å; I423-H425 VanDerWaalsContact C-N 3.3Å; I423-H425 PolarHBondContact O-N 3.23Å; I423-W426 PolarHBondContact O-N 3.47Å; I423-F427 HydrophobicContact CG2-CD2 3.69Å; I423-F427 HydrophobicContact CG2-CE2 3.73Å; I423-F427 VanDerWaalsContact O-CD2 3.32Å; I423-F427 WeakPolarHBondContact O-CD2 3.45Å; I423-F427 PolarHBondContact O-N 2.97Å
424	S	86.6	Confident	84.2	Confident	32 Å²	32	52.7 Å²	52.7	22%	0.224	29%	0.292	C	S	.	.	H	α-helix	trans	-56.1	-45.6	176.8	-156.4	0	0	0	0	111.8	T420 A421 S428	T420-S424 WeakPolarHBondContact O-CB 3.38Å; T420-S424 PolarHBondContact O-N 3.45Å; A421-S424 PolarHBondContact O-N 3.43Å; S424-S428 WeakPolarHBondContact O-CB 3.45Å; S424-S428 PolarHBondContact O-N 3.06Å; S424-S428 PolarHBondContact O-OG 3.02Å
425	H	85.3	Confident	83.1	Confident	90 Å²	90	53.9 Å²	53.9	42%	0.417	29%	0.294	S	S	.	.	H	α-helix	trans	-69.6	-35.5	179.9	-172.6	-105.9	0	0	0	112.5	Y383 A421 D422 I423 S428 A429 R432	Y383-H425 AromaticContact CZ-ND1 3.89Å; Y383-H425 PolarHBondContact OH-ND1 2.73Å; A421-H425 WeakPolarHBondContact O-CB 3.29Å; A421-H425 PolarHBondContact O-N 3.44Å; D422-H425 PolarHBondContact O-N 3.35Å; I423-H425 VanDerWaalsContact C-N 3.3Å; I423-H425 PolarHBondContact O-N 3.23Å; H425-S428 PolarHBondContact O-N 2.85Å; H425-A429 WeakPolarHBondContact O-CB 3.5Å; H425-A429 PolarHBondContact O-N 3.48Å; H425-R432 PolarHBondContact NE2-NH2 3.39Å
426	W	88.7	Confident	82.1	Confident	13 Å²	13	51 Å²	51	5%	0.049	28%	0.281	C	S	.	.	H	α-helix	trans	-64.7	-51.1	173.9	-177.9	99.1	0	0	0	111.1	Y383 L394 R395 Y398 D422 I423 S428 A429 C430	Y383-W426 AromaticContact CD2-CD1 3.98Å; Y383-W426 HydrophobicContact CE1-CB 4.37Å; Y383-W426 HydrophobicContact CE2-CB 4.27Å; Y383-W426 AromaticContact CE2-CD1 3.7Å; Y383-W426 HydrophobicContact CE2-CG 4.36Å; Y383-W426 VanDerWaalsContact OH-CA 3.26Å; Y383-W426 WeakPolarHBondContact OH-CA 3.02Å; Y383-W426 PolarHBondContact OH-N 2.72Å; Y383-W426 VanDerWaalsContact OH-N 3.13Å; L394-W426 VanDerWaalsContact C-CH2 3.42Å; L394-W426 HydrophobicContact CB-CD2 4.18Å; L394-W426 HydrophobicContact CB-CE3 4.01Å; L394-W426 HydrophobicContact CB-CH2 3.62Å; L394-W426 HydrophobicContact CB-CZ2 3.73Å; L394-W426 HydrophobicContact CB-CZ3 3.75Å; L394-W426 HydrophobicContact CD1-CD2 3.84Å; L394-W426 HydrophobicContact CD1-CE3 4.21Å; L394-W426 HydrophobicContact CD1-CG 4.01Å; L394-W426 WeakPolarHBondContact O-CH2 3.3Å; R395-W426 HydrophobicContact CG-CZ2 4.4Å; Y398-W426 HydrophobicContact CD2-CZ3 4.24Å; Y398-W426 HydrophobicContact CG-CH2 4.39Å; Y398-W426 HydrophobicContact CG-CZ3 4.3Å; D422-W426 VanDerWaalsContact O-CB 3.28Å; D422-W426 WeakPolarHBondContact O-CB 3.42Å; D422-W426 PolarHBondContact O-N 3.33Å; I423-W426 PolarHBondContact O-N 3.47Å; W426-S428 VanDerWaalsContact C-N 3.26Å; W426-S428 PolarHBondContact O-N 3.09Å; W426-A429 WeakPolarHBondContact O-CB 3.45Å; W426-A429 PolarHBondContact O-N 3.29Å; W426-C430 VanDerWaalsContact CH2-SG 3.56Å; W426-C430 VanDerWaalsContact CZ2-SG 3.56Å; W426-C430 PolarHBondContact O-N 2.95Å; W426-C430 PolarHBondContact O-SG 2.84Å
427	F	88.8	Confident	80.6	Confident	1 Å²	1	51.8 Å²	51.8	0%	0.004	29%	0.287	C	S	.	.	H	α-helix	trans	-58.3	-39.6	176.1	-90	-96.6	0	0	0	111.8	L394 A397 Y398 N401 P404 L412 I423 C430 R431	L394-F427 HydrophobicContact CD2-CE2 4.05Å; A397-F427 HydrophobicContact CB-CZ 3.75Å; Y398-F427 AromaticContact CD2-CD1 3.64Å; Y398-F427 HydrophobicContact CD2-CD1 3.64Å; Y398-F427 AromaticContact CD2-CE1 3.92Å; Y398-F427 HydrophobicContact CD2-CE1 3.92Å; Y398-F427 HydrophobicContact CD2-CG 4.48Å; Y398-F427 HydrophobicContact CE2-CD1 4.39Å; N401-F427 WeakPolarHBondContact O-CE1 3.44Å; P404-F427 HydrophobicContact CB-CE1 4.28Å; P404-F427 HydrophobicContact CB-CZ 4.33Å; P404-F427 HydrophobicContact CG-CD1 3.59Å; P404-F427 HydrophobicContact CG-CD2 4Å; P404-F427 HydrophobicContact CG-CE1 3.63Å; P404-F427 HydrophobicContact CG-CE2 4.05Å; P404-F427 HydrophobicContact CG-CG 3.78Å; P404-F427 HydrophobicContact CG-CZ 3.86Å; L412-F427 HydrophobicContact CD1-CE2 3.83Å; L412-F427 HydrophobicContact CD1-CZ 3.87Å; I423-F427 HydrophobicContact CG2-CD2 3.69Å; I423-F427 HydrophobicContact CG2-CE2 3.73Å; I423-F427 VanDerWaalsContact O-CD2 3.32Å; I423-F427 WeakPolarHBondContact O-CD2 3.45Å; I423-F427 PolarHBondContact O-N 2.97Å; F427-C430 PolarHBondContact O-N 3.13Å; F427-R431 WeakPolarHBondContact O-CG 3.32Å; F427-R431 PolarHBondContact O-N 2.64Å
428	S	81.1	Confident	79.3	Confident	9 Å²	9	50.9 Å²	50.9	6%	0.063	27%	0.265	C	S	.	.	H	α-helix	trans	-69	-35.5	176.3	-48	0	0	0	0	112.3	S424 H425 W426 R431 R432 D438	S424-S428 WeakPolarHBondContact O-CB 3.45Å; S424-S428 PolarHBondContact O-N 3.06Å; S424-S428 PolarHBondContact O-OG 3.02Å; H425-S428 PolarHBondContact O-N 2.85Å; W426-S428 VanDerWaalsContact C-N 3.26Å; W426-S428 PolarHBondContact O-N 3.09Å; S428-R431 PolarHBondContact O-N 3.06Å; S428-R431 PolarHBondContact OG-NH2 3.46Å; S428-R432 WeakPolarHBondContact O-CB 3.45Å; S428-R432 VanDerWaalsContact O-CG 3.32Å; S428-R432 WeakPolarHBondContact O-CG 3.12Å; S428-R432 PolarHBondContact O-N 2.98Å; S428-R432 PolarHBondContact O-NE 3.21Å; S428-D438 WeakPolarHBondContact CA-OD1 3.38Å; S428-D438 WeakPolarHBondContact CB-OD1 3.39Å
429	A	82.3	Confident	77.9	Confident	23 Å²	23	52 Å²	52	19%	0.19	27%	0.271	C	S	.	.	H	α-helix	trans	-65.3	-44.5	173.2	0	0	0	0	0	111.7	H425 W426 R431 R432 Q433	H425-A429 WeakPolarHBondContact O-CB 3.5Å; H425-A429 PolarHBondContact O-N 3.48Å; W426-A429 WeakPolarHBondContact O-CB 3.45Å; W426-A429 PolarHBondContact O-N 3.29Å; A429-R431 PolarHBondContact O-N 3.21Å; A429-R432 PolarHBondContact O-N 3.43Å; A429-Q433 WeakPolarHBondContact O-CB 3.45Å; A429-Q433 PolarHBondContact O-N 3.49Å
430	C	83.5	Confident	75.9	Confident	4 Å²	4	51.5 Å²	51.5	3%	0.027	27%	0.269	C	S	.	.	H	α-helix	trans	-57.9	-47.5	173.1	-60.8	0	0	0	0	111.3	Y398 W426 F427 Q433 H434	Y398-C430 HydrophobicContact CD1-CB 4.48Å; Y398-C430 HydrophobicContact CD2-CB 3.8Å; Y398-C430 HydrophobicContact CE1-CB 4.1Å; Y398-C430 HydrophobicContact CE2-CB 3.36Å; Y398-C430 HydrophobicContact CG-CB 4.36Å; Y398-C430 PolarHBondContact OH-O 2.62Å; W426-C430 VanDerWaalsContact CH2-SG 3.56Å; W426-C430 VanDerWaalsContact CZ2-SG 3.56Å; W426-C430 PolarHBondContact O-N 2.95Å; W426-C430 PolarHBondContact O-SG 2.84Å; F427-C430 PolarHBondContact O-N 3.13Å; C430-Q433 PolarHBondContact O-N 3.21Å; C430-H434 PolarHBondContact O-CD2 3.37Å; C430-H434 PolarHBondContact O-N 2.7Å
431	R	82.8	Confident	73.9	Confident	22 Å²	22	55.6 Å²	55.6	8%	0.083	28%	0.284	C	S	.	.	H	α-helix	trans	-58.7	-52.4	177.5	-76	-169.3	-57.9	-98.1	-0.5	111.9	Y398 A402 F427 S428 A429 Q433 H434 K435 I436 D438	Y398-R431 HydrophobicContact CE2-CG 4.05Å; Y398-R431 WeakPolarHBondContact OH-CA 3.37Å; Y398-R431 PolarHBondContact OH-N 3.25Å; A402-R431 WeakPolarHBondContact O-CD 3.47Å; A402-R431 PolarHBondContact O-NH1 3.49Å; F427-R431 WeakPolarHBondContact O-CG 3.32Å; F427-R431 PolarHBondContact O-N 2.64Å; S428-R431 PolarHBondContact O-N 3.06Å; S428-R431 PolarHBondContact OG-NH2 3.46Å; A429-R431 PolarHBondContact O-N 3.21Å; R431-Q433 VanDerWaalsContact C-N 3.27Å; R431-Q433 PolarHBondContact O-N 3.19Å; R431-H434 CarbonylContact O-C 3.25Å; R431-H434 PolarHBondContact O-N 2.88Å; R431-K435 PolarHBondContact O-N 3.34Å; R431-I436 CarbonylContact C-O 3.39Å; R431-I436 VanDerWaalsContact C-O 3.23Å; R431-I436 HydrophobicContact CB-CB 3.97Å; R431-I436 HydrophobicContact CB-CG2 4.11Å; R431-I436 HydrophobicContact CG-CB 4.11Å; R431-I436 HydrophobicContact CG-CG2 3.84Å; R431-I436 PolarHBondContact O-N 3.19Å; R431-I436 VanDerWaalsContact O-O 3.08Å; R431-D438 IonicContact CZ-OD1 2.73Å; R431-D438 IonicContact NE-OD1 3.82Å; R431-D438 PolarHBondContact NE-OD1 3.44Å; R431-D438 IonicContact NH2-OD1 2.72Å; R431-D438 PolarHBondContact NH2-OD1 2.82Å
432	R	72.6	Confident	71.4	Confident	121 Å²	121	59 Å²	59	46%	0.457	29%	0.293	S	S	.	.	H	α-helix	trans	-54.4	-41.6	176.8	-73.3	-176.7	-67.1	-99.9	11.1	112.5	H425 S428 A429 K435 D438	H425-R432 PolarHBondContact NE2-NH2 3.39Å; S428-R432 WeakPolarHBondContact O-CB 3.45Å; S428-R432 VanDerWaalsContact O-CG 3.32Å; S428-R432 WeakPolarHBondContact O-CG 3.12Å; S428-R432 PolarHBondContact O-N 2.98Å; S428-R432 PolarHBondContact O-NE 3.21Å; A429-R432 PolarHBondContact O-N 3.43Å; R432-K435 PolarHBondContact O-N 3.14Å; R432-D438 IonicContact CZ-OD2 3.94Å; R432-D438 IonicContact NH1-OD2 3.57Å; R432-D438 PolarHBondContact NH1-OD2 3.44Å
433	Q	72.5	Confident	68.7	Low	79 Å²	79	62.2 Å²	62.2	37%	0.369	31%	0.311	S	S	.	.	H	α-helix	trans	-66.5	-46.7	177.4	176.7	153.3	34.5	0	0	113.1	D377 V378 A429 C430 R431 K435	D377-Q433 VanDerWaalsContact CB-NE2 3.27Å; D377-Q433 PolarHBondContact O-NE2 3.19Å; D377-Q433 PolarHBondContact O-OE1 3.3Å; V378-Q433 VanDerWaalsContact N-OE1 3.11Å; A429-Q433 WeakPolarHBondContact O-CB 3.45Å; A429-Q433 PolarHBondContact O-N 3.49Å; C430-Q433 PolarHBondContact O-N 3.21Å; R431-Q433 VanDerWaalsContact C-N 3.27Å; R431-Q433 PolarHBondContact O-N 3.19Å; Q433-K435 PolarHBondContact O-N 2.84Å; Q433-K435 VanDerWaalsContact O-N 3.12Å
434	H	68.2	Low	65.9	Low	81 Å²	81	68.7 Å²	68.7	38%	0.375	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	8.9	175.7	-67.8	-68.4	0	0	0	113.4	E374 Y398 C430 R431 I436	E374-H434 PolarHBondContact O-CE1 2.7Å; Y398-H434 AromaticContact CE1-CD2 3.66Å; Y398-H434 AromaticContact CZ-CD2 3.91Å; Y398-H434 PolarHBondContact OH-CD2 3.45Å; C430-H434 PolarHBondContact O-CD2 3.37Å; C430-H434 PolarHBondContact O-N 2.7Å; R431-H434 CarbonylContact O-C 3.25Å; R431-H434 PolarHBondContact O-N 2.88Å; H434-I436 HydrophobicContact CB-CD1 4.22Å; H434-I436 HydrophobicContact CB-CG1 4.15Å; H434-I436 PolarHBondContact O-N 3.01Å
435	K	66.5	Low	63.5	Low	184 Å²	184	72.2 Å²	72.2	80%	0.8	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	27	-176.3	-55.4	-178	-178	179.6	0	113.5	R431 R432 Q433	R431-K435 PolarHBondContact O-N 3.34Å; R432-K435 PolarHBondContact O-N 3.14Å; Q433-K435 PolarHBondContact O-N 2.84Å; Q433-K435 VanDerWaalsContact O-N 3.12Å
436	I	65	Low	60.9	Low	35 Å²	35	74.7 Å²	74.7	18%	0.179	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-83	127.5	169	-61.7	-179.8	0	0	0	107	Y403 R431 H434	Y403-I436 HydrophobicContact CE2-CG2 4.31Å; Y403-I436 WeakPolarHBondContact OH-CG2 3.28Å; R431-I436 CarbonylContact C-O 3.39Å; R431-I436 VanDerWaalsContact C-O 3.23Å; R431-I436 HydrophobicContact CB-CB 3.97Å; R431-I436 HydrophobicContact CB-CG2 4.11Å; R431-I436 HydrophobicContact CG-CB 4.11Å; R431-I436 HydrophobicContact CG-CG2 3.84Å; R431-I436 PolarHBondContact O-N 3.19Å; R431-I436 VanDerWaalsContact O-O 3.08Å; H434-I436 HydrophobicContact CB-CD1 4.22Å; H434-I436 HydrophobicContact CB-CG1 4.15Å; H434-I436 PolarHBondContact O-N 3.01Å
437	P	57.1	Low	58.2	Low	31 Å²	31	82.5 Å²	82.5	20%	0.201	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-63.9	145.4	176.1	-24.3	36.6	0	0	0	112.2	Y281 Y403	Y281-P437 HydrophobicContact CD2-CB 4.33Å; Y281-P437 HydrophobicContact CE2-CB 3.66Å; Y281-P437 HydrophobicContact CE2-CG 3.9Å; Y403-P437 PolarHBondContact OH-O 3Å
438	D	59.4	Low	55.6	Low	55 Å²	55	89.2 Å²	89.2	29%	0.294	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-72.1	138.9	165.3	-76.8	-43.8	0	0	0	109.6	S428 R431 R432	S428-D438 WeakPolarHBondContact CA-OD1 3.38Å; S428-D438 WeakPolarHBondContact CB-OD1 3.39Å; R431-D438 IonicContact CZ-OD1 2.73Å; R431-D438 IonicContact NE-OD1 3.82Å; R431-D438 PolarHBondContact NE-OD1 3.44Å; R431-D438 IonicContact NH2-OD1 2.72Å; R431-D438 PolarHBondContact NH2-OD1 2.82Å; R432-D438 IonicContact CZ-OD2 3.94Å; R432-D438 IonicContact NH1-OD2 3.57Å; R432-D438 PolarHBondContact NH1-OD2 3.44Å
439	L	58.2	Low	53.5	Low	54 Å²	54	92.5 Å²	92.5	28%	0.283	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-61.7	142.6	172.7	-118.2	73.2	0	0	0	109.2	Y281 Y403 Q441	Y281-L439 HydrophobicContact CE1-CD1 4.29Å; Y403-L439 HydrophobicContact CD1-CB 4.48Å; Y403-L439 HydrophobicContact CD1-CD1 3.75Å; Y403-L439 HydrophobicContact CE1-CB 4.39Å; Y403-L439 HydrophobicContact CE1-CD1 3.47Å; Y403-L439 VanDerWaalsContact CE1-CD1 3.47Å; Y403-L439 HydrophobicContact CE2-CD1 4.45Å; Y403-L439 HydrophobicContact CG-CD1 4.33Å; L439-Q441 PolarHBondContact O-N 3.47Å
440	P	45.8	Very low	51.3	Low	64 Å²	64	99.2 Å²	99.2	42%	0.416	53%	0.525	S	S	.	.			trans	-64.1	107.4	179.6	25.7	-33.7	0	0	0	110.7	N442	P440-N442 PolarHBondContact O-N 2.88Å
441	Q	45.4	Very low	48.8	Very low	142 Å²	142	102.8 Å²	102.8	66%	0.664	56%	0.563	S	S	*	*			trans	-70.1	124.4	177.2	-67.1	-174.3	-53.1	0	0	110.3	L439 N443	L439-Q441 PolarHBondContact O-N 3.47Å; Q441-N443 VanDerWaalsContact C-N 3.32Å; Q441-N443 WeakPolarHBondContact CB-OD1 3.43Å; Q441-N443 PolarHBondContact O-N 2.89Å
442	N	35.2	Very low	46.6	Very low	136 Å²	136	111.6 Å²	111.6	73%	0.727	61%	0.605	S	S	*	*			trans	-77.6	81.9	175.3	-179.1	25.9	0	0	0	109.8	P440 N444	P440-N442 PolarHBondContact O-N 2.88Å; N442-N444 PolarHBondContact O-N 2.72Å
443	N	31.2	Very low	44.8	Very low	131 Å²	131	114.3 Å²	114.3	70%	0.701	62%	0.623	S	S	*	*			trans	-73.6	68	-175.8	-71.3	-2.3	0	0	0	112.7	Q441	Q441-N443 VanDerWaalsContact C-N 3.32Å; Q441-N443 WeakPolarHBondContact CB-OD1 3.43Å; Q441-N443 PolarHBondContact O-N 2.89Å
444	N	28.3	Very low	43.2	Very low	135 Å²	135	119 Å²	119	72%	0.722	65%	0.65	S	S	*	*			trans	-112.5	69	169	-87.3	-16.8	0	0	0	110.1	N442	N442-N444 PolarHBondContact O-N 2.72Å
445	S	35.9	Very low	41.6	Very low	106 Å²	106	120.6 Å²	120.6	74%	0.741	67%	0.67	S	S	*	*	S	Bend	trans	-137.6	90.8	173.3	-67.8	0	0	0	0	110.4
446	N	30.5	Very low	40.2	Very low	143 Å²	143	121.3 Å²	121.3	77%	0.765	68%	0.676	S	S	*	*			trans	29.5	95.1	154.6	-51.3	-1.9	0	0	0	118.1
447	N	32	Very low	38.7	Very low	176 Å²	176	124.8 Å²	124.8	94%	0.941	70%	0.703	S	S	*	*			trans	-91.3	89.1	155.1	-83.6	-7.5	0	0	0	109.2
448	D	35.3	Very low	37.7	Very low	142 Å²	142	127.6 Å²	127.6	76%	0.759	73%	0.729	S	S	*	*			trans	-102	128.2	170.8	-87.7	-55.8	0	0	0	111.2
449	A	36.4	Very low	36.5	Very low	78 Å²	78	131.3 Å²	131.3	65%	0.645	75%	0.754	S	S	*	*	S	Bend	trans	57	127.2	161.1	0	0	0	0	0	120.6
450	N	35.8	Very low	35.3	Very low	165 Å²	165	136.8 Å²	136.8	88%	0.882	78%	0.782	S	S	*	*			trans	69.3	128.1	160.7	-43.3	-34.7	0	0	0	116.3
451	G	31.7	Very low	34.7	Very low	79 Å²	79	142.1 Å²	142.1	81%	0.814	80%	0.802	S	S	*	*			cis	123.9	89.8	-5.3	0	0	0	0	0	113.1
452	E	36.6	Very low	34.1	Very low	207 Å²	207	140.8 Å²	140.8	97%	0.967	81%	0.808	S	S	*	*			trans	-153.6	163.9	147.7	-131.7	173.5	-156.8	0	0	110.2
453	E	35	Very low	34.1	Very low	177 Å²	177	137.4 Å²	137.4	83%	0.827	80%	0.799	S	S	*	*			trans	-119.1	114.9	-158.2	179.6	178.1	-154.1	0	0	111.6
454	L	37.9	Very low	34.2	Very low	179 Å²	179	139.3 Å²	139.3	94%	0.937	80%	0.804	S	S	*	*			trans	-135	121.1	163	-82.4	178.3	0	0	0	110.4
455	S	35.6	Very low	34.4	Very low	114 Å²	114	143.3 Å²	143.3	80%	0.797	82%	0.815	S	S	*	*			trans	-92.7	127	-176.3	58.9	0	0	0	0	112
456	E	36.3	Very low	34.3	Very low	199 Å²	199	141.7 Å²	141.7	93%	0.93	81%	0.808	S	S	*	*			trans	-133	143.3	147.8	-164.9	161	-164.4	0	0	108.9
457	S	34.4	Very low	34.4	Very low	107 Å²	107	143.5 Å²	143.5	75%	0.748	82%	0.817	S	S	*	*			trans	-121.2	158	-165.1	64.9	0	0	0	0	112.4
458	A	35	Very low	34.4	Very low	91 Å²	91	146 Å²	146	75%	0.752	83%	0.829	S	S	*	*			trans	75.4	144.2	-174.6	0	0	0	0	0	113.7
459	T	34.2	Very low	34.4	Very low	133 Å²	133	146.2 Å²	146.2	82%	0.816	83%	0.832	S	S	*	*			cis	-143.5	155.6	3.7	-23.7	0	0	0	0	111.6	E461	T459-E461 PolarHBondContact O-N 3.17Å
460	L	32.1	Very low	34.3	Very low	168 Å²	168	149.7 Å²	149.7	88%	0.88	84%	0.842	S	S	*	*			trans	-69.2	92	167.3	-85.6	164	0	0	0	110.5	S462	L460-S462 PolarHBondContact O-N 2.89Å
461	E	35.1	Very low	34.2	Very low	177 Å²	177	148.9 Å²	148.9	83%	0.827	84%	0.84	S	S	*	*			trans	-94.1	80.7	169.4	-148.5	172.4	-154.5	0	0	110.8	T459 A463	T459-E461 PolarHBondContact O-N 3.17Å; E461-A463 HydrophobicContact CG-CB 4.14Å; E461-A463 PolarHBondContact O-N 2.88Å
462	S	31.5	Very low	34.3	Very low	113 Å²	113	153 Å²	153	79%	0.79	84%	0.841	S	S	*	*			trans	-76.3	59.3	163.4	-65.4	0	0	0	0	110.8	L460 E464	L460-S462 PolarHBondContact O-N 2.89Å; S462-E464 PolarHBondContact O-N 3.43Å
463	A	34.8	Very low	34.2	Very low	65 Å²	65	149.6 Å²	149.6	54%	0.537	83%	0.834	S	S	.	*			trans	-75.1	108.1	168.1	0	0	0	0	0	108.4	E461	E461-A463 HydrophobicContact CG-CB 4.14Å; E461-A463 PolarHBondContact O-N 2.88Å
464	E	33.7	Very low	34.1	Very low	172 Å²	172	147.8 Å²	147.8	80%	0.804	83%	0.834	S	S	*	*				64.3	52.3	78.9	-157.4	177.3	-157.6	0	0	113.2	S462 A466	S462-E464 PolarHBondContact O-N 3.43Å; E464-A466 PolarHBondContact O-N 3.46Å
465	F	33	Very low	33.9	Very low	218 Å²	218	145.6 Å²	145.6	96%	0.956	83%	0.827	S	S	*	*			trans	-86.5	86.9	145.1	-111.2	-88.6	0	0	0	108.9
466	A	34.3	Very low	33.7	Very low	72 Å²	72	148 Å²	148	60%	0.595	83%	0.829	S	S	*	*			trans	-66	157.5	176.7	0	0	0	0	0	112.1	E464 L468	E464-A466 PolarHBondContact O-N 3.46Å; A466-L468 PolarHBondContact O-N 3.33Å
467	L	31.5	Very low	33.5	Very low	181 Å²	181	143.8 Å²	143.8	95%	0.948	82%	0.821	S	S	*	*			trans	-59.1	119.7	-177	-69.6	158.3	0	0	0	113.1
468	L	32.7	Very low	33.4	Very low	228 Å²	228	147.1 Å²	147.1	100%	1.194	83%	0.827	S	S	*	*			trans	-143.7	0	159.5	-88.1	175.4	0	0	0	109.9	A466	A466-L468 PolarHBondContact O-N 3.33Å

Retrieved 468 of 468 residues in 196.3 ms (Link to these results)

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