A0A3B3VEG0_9TELE Loading...

Palmitoyltransferase

AlphaFold DB , UniProt , Accession A0A3B3VEG0, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 622 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	36.8	Very low	33.7	Very low	221 Å²	221	118.5 Å²	118.5	100%	1.089	60%	0.603	S	S	*	*				0	-35.6	0	-158.4	170.4	136	0	0	110.3
2	A	28.7	Very low	33.9	Very low	59 Å²	59	110.8 Å²	110.8	49%	0.488	57%	0.571	S	S	.	*			trans	-86.3	-45.8	165.2	0	0	0	0	0	112.8	A4 M5 E6	A2-A4 PolarHBondContact O-N 2.71Å; A2-M5 WeakPolarHBondContact O-CB 3.49Å; A2-M5 PolarHBondContact O-N 3.03Å; A2-E6 PolarHBondContact O-N 3.17Å
3	D	26.6	Very low	33.6	Very low	121 Å²	121	109.2 Å²	109.2	65%	0.647	60%	0.599	S	S	*	*	H	α-helix	trans	-62.2	-34.3	-170	-55.6	-10.8	0	0	0	115.7	E7	D3-E7 PolarHBondContact O-N 3.39Å
4	A	33.8	Very low	33.5	Very low	76 Å²	76	107.9 Å²	107.9	63%	0.628	60%	0.6	S	S	*	*	H	α-helix	trans	-79.8	-18.6	177.9	0	0	0	0	0	113.4	A2	A2-A4 PolarHBondContact O-N 2.71Å
5	M	34.5	Very low	33.5	Very low	101 Å²	101	109.4 Å²	109.4	50%	0.498	61%	0.612	S	S	.	*	H	α-helix	trans	-79.1	-42	169.2	-94	176.2	57	0	0	110.1	A2 E7 Y8 E9	A2-M5 WeakPolarHBondContact O-CB 3.49Å; A2-M5 PolarHBondContact O-N 3.03Å; M5-E7 VanDerWaalsContact C-N 3.33Å; M5-E7 PolarHBondContact O-N 3.48Å; M5-Y8 PolarHBondContact O-N 2.81Å; M5-E9 WeakPolarHBondContact O-CG 3.38Å; M5-E9 PolarHBondContact O-N 2.96Å
6	E	32.2	Very low	33.1	Very low	98 Å²	98	110.3 Å²	110.3	46%	0.458	62%	0.624	S	S	.	*	H	α-helix	trans	-62.7	-35.8	177.5	-79.2	-168.9	165.2	0	0	113.3	A2 Y8 E9 K10	A2-E6 PolarHBondContact O-N 3.17Å; E6-Y8 VanDerWaalsContact C-N 3.31Å; E6-Y8 PolarHBondContact O-N 3.2Å; E6-E9 PolarHBondContact O-N 3.47Å; E6-K10 WeakPolarHBondContact O-CB 3.45Å; E6-K10 PolarHBondContact O-N 2.93Å
7	E	33.3	Very low	33.1	Very low	153 Å²	153	109.6 Å²	109.6	72%	0.715	62%	0.617	S	S	*	*	H	α-helix	trans	-69.3	-29.6	179	-127.4	173.6	-169.2	0	0	112.4	D3 M5	D3-E7 PolarHBondContact O-N 3.39Å; M5-E7 VanDerWaalsContact C-N 3.33Å; M5-E7 PolarHBondContact O-N 3.48Å
8	Y	36.6	Very low	33	Very low	69 Å²	69	112.2 Å²	112.2	27%	0.271	63%	0.628	S	S	.	*	H	α-helix	trans	-81.3	-32.6	174.8	-150.4	-78.2	0	0	0	112	M5 E6 H214 K247	M5-Y8 PolarHBondContact O-N 2.81Å; E6-Y8 VanDerWaalsContact C-N 3.31Å; E6-Y8 PolarHBondContact O-N 3.2Å; Y8-H214 AromaticContact CE1-CD2 3.6Å; Y8-H214 AromaticContact CE1-NE2 3.61Å; Y8-H214 AromaticContact CZ-CD2 3.64Å; Y8-H214 PolarHBondContact OH-CD2 3.12Å; Y8-K247 HydrophobicContact CE2-CD 4.04Å; Y8-K247 VanDerWaalsContact CE2-CE 3.44Å
9	E	37.7	Very low	32.6	Very low	72 Å²	72	114.8 Å²	114.8	34%	0.336	64%	0.635	S	S	.	*	H	α-helix	trans	-73.3	-25.2	176.6	-75.2	170.9	-177.1	0	0	113.4	M5 E6 I17	M5-E9 WeakPolarHBondContact O-CG 3.38Å; M5-E9 PolarHBondContact O-N 2.96Å; E6-E9 PolarHBondContact O-N 3.47Å; E9-I17 HydrophobicContact CG-CD1 4.13Å; E9-I17 VanDerWaalsContact OE1-CD1 3.27Å; E9-I17 WeakPolarHBondContact OE1-CD1 3.47Å
10	K	34.8	Very low	32.5	Very low	169 Å²	169	114.1 Å²	114.1	74%	0.735	64%	0.635	S	S	*	*	H	α-helix	trans	-81.8	-26.5	178.6	-85	175.6	179.1	160.7	0	115	E6	E6-K10 WeakPolarHBondContact O-CB 3.45Å; E6-K10 PolarHBondContact O-N 2.93Å
11	E	35.6	Very low	32.1	Very low	164 Å²	164	117.5 Å²	117.5	77%	0.766	65%	0.647	S	S	*	*	H	α-helix	trans	-86.3	-22.9	176.9	-73.5	-172.1	154.6	0	0	112.8
12	A	36.2	Very low	31.7	Very low	27 Å²	27	114.9 Å²	114.9	22%	0.223	63%	0.632	C	S	.	*	S	Bend	trans	-84.3	123.8	168.8	0	0	0	0	0	108.5	C14	A12-C14 HydrophobicContact CB-CB 4.26Å; A12-C14 PolarHBondContact O-N 3.2Å
13	G	29.8	Very low	31.9	Very low	90 Å²	90	119.1 Å²	119.1	93%	0.928	65%	0.645	S	S	*	*			trans	-66.8	42	169.9	0	0	0	0	0	113.5
14	C	32.5	Very low	31.8	Very low	91 Å²	91	121.8 Å²	121.8	62%	0.615	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-89.6	131.4	179.7	-69.8	0	0	0	0	109.8	A12	A12-C14 HydrophobicContact CB-CB 4.26Å; A12-C14 PolarHBondContact O-N 3.2Å
15	V	33.6	Very low	31.4	Very low	130 Å²	130	123.9 Å²	123.9	79%	0.788	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-59.9	148.7	174.1	-179.7	0	0	0	0	109.9
16	P	27	Very low	31	Very low	123 Å²	123	127 Å²	127	80%	0.799	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-60.3	136.8	-165.9	-22	32.3	0	0	0	114.7
17	I	34.1	Very low	30.7	Very low	100 Å²	100	126.7 Å²	126.7	51%	0.513	68%	0.68	S	S	.	*	P	Polyproline II helix	trans	-76.6	129.1	172	-68.9	163	0	0	0	109.4	E9	E9-I17 HydrophobicContact CG-CD1 4.13Å; E9-I17 VanDerWaalsContact OE1-CD1 3.27Å; E9-I17 WeakPolarHBondContact OE1-CD1 3.47Å
18	L	30.8	Very low	30.4	Very low	155 Å²	155	128.1 Å²	128.1	81%	0.812	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-70.8	130.6	166.5	-80.8	159.6	0	0	0	109.7
19	H	24.7	Very low	29.8	Very low	162 Å²	162	132.9 Å²	132.9	75%	0.75	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-60	148.7	-174.8	-92.5	-75.1	0	0	0	114.1	E21	H19-E21 PolarHBondContact O-N 2.95Å
20	P	30.2	Very low	29.3	Very low	100 Å²	100	136.9 Å²	136.9	65%	0.649	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-71.9	6	-176.7	-16.5	31.4	0	0	0	117
21	E	25.7	Very low	29	Very low	187 Å²	187	135.9 Å²	135.9	87%	0.874	73%	0.726	S	S	*	*	G	3₁₀ helix	trans	-91.3	3.9	180	-71.4	-161.6	158.9	0	0	114.7	H19	H19-E21 PolarHBondContact O-N 2.95Å
22	E	28.6	Very low	28.6	Very low	165 Å²	165	131.1 Å²	131.1	77%	0.771	72%	0.721	S	S	*	*	G	3₁₀ helix	trans	-101.8	4.3	173.4	-70.2	-168.1	159	0	0	115	K24	E22-K24 PolarHBondContact O-N 3.23Å
23	I	32.9	Very low	28.4	Very low	149 Å²	149	139.6 Å²	139.6	76%	0.764	75%	0.749	S	S	*	*			trans	-90.9	78	170	-51.7	177.1	0	0	0	108.7
24	K	23.5	Very low	28.5	Very low	176 Å²	176	142.1 Å²	142.1	77%	0.765	75%	0.747	S	S	*	*			trans	-64.9	138.3	161	-76.4	-179.5	-179.7	173.1	0	108.6	E22 Q26	E22-K24 PolarHBondContact O-N 3.23Å; K24-Q26 PolarHBondContact O-N 3.47Å
25	P	25.6	Very low	28.4	Very low	121 Å²	121	145.8 Å²	145.8	79%	0.786	75%	0.754	S	S	*	*			trans	-58.7	115.8	168.9	24.1	-30.1	0	0	0	107.6	S27	P25-S27 VanDerWaalsContact C-N 3.26Å; P25-S27 PolarHBondContact O-N 3.01Å
26	Q	26.9	Very low	28.3	Very low	167 Å²	167	147.4 Å²	147.4	78%	0.78	76%	0.759	S	S	*	*			trans	-66.9	93.2	173.1	-79.9	-174.4	-15.2	0	0	108.2	K24 H28 Y29	K24-Q26 PolarHBondContact O-N 3.47Å; Q26-H28 PolarHBondContact O-N 3.46Å; Q26-Y29 HydrophobicContact CG-CE2 4.22Å
27	S	24.9	Very low	28.9	Very low	91 Å²	91	148.3 Å²	148.3	64%	0.636	76%	0.762	S	S	*	*			trans	-48.1	133.7	150.4	53.2	0	0	0	0	108.1	P25 Y29	P25-S27 VanDerWaalsContact C-N 3.26Å; P25-S27 PolarHBondContact O-N 3.01Å; S27-Y29 PolarHBondContact O-N 3.4Å
28	H	26.2	Very low	29.2	Very low	182 Å²	182	148.2 Å²	148.2	84%	0.843	77%	0.77	S	S	*	*			trans	-28.7	109.4	164.9	-75.7	-78.9	0	0	0	111.6	Q26 N30	Q26-H28 PolarHBondContact O-N 3.46Å; H28-N30 PolarHBondContact O-N 3.13Å
29	Y	25.1	Very low	29.5	Very low	170 Å²	170	152.8 Å²	152.8	67%	0.667	78%	0.776	S	S	*	*			trans	-71.9	75	167.7	-86.9	-85.2	0	0	0	108.5	Q26 S27 H31	Q26-Y29 HydrophobicContact CG-CE2 4.22Å; S27-Y29 PolarHBondContact O-N 3.4Å; Y29-H31 VanDerWaalsContact C-N 3.35Å; Y29-H31 AromaticContact CD1-CD2 3.81Å; Y29-H31 AromaticContact CD1-NE2 3.87Å; Y29-H31 PolarHBondContact O-N 3.25Å
30	N	26.7	Very low	30.2	Very low	156 Å²	156	154.5 Å²	154.5	83%	0.834	78%	0.782	S	S	*	*			trans	-79.8	91.5	150.5	-109	1.3	0	0	0	105.9	H28 G32	H28-N30 PolarHBondContact O-N 3.13Å; N30-G32 PolarHBondContact O-N 3.02Å
31	H	28.7	Very low	30.7	Very low	147 Å²	147	157.5 Å²	157.5	68%	0.681	79%	0.792	S	S	*	*			trans	-72.2	83.6	160.1	-98.8	-64.7	0	0	0	108	Y29 Y33	Y29-H31 VanDerWaalsContact C-N 3.35Å; Y29-H31 AromaticContact CD1-CD2 3.81Å; Y29-H31 AromaticContact CD1-NE2 3.87Å; Y29-H31 PolarHBondContact O-N 3.25Å; H31-Y33 PolarHBondContact O-N 3.21Å
32	G	28	Very low	31.9	Very low	65 Å²	65	157 Å²	157	67%	0.67	79%	0.79	S	S	*	*			trans	-70.8	104.7	157.2	0	0	0	0	0	107.8	N30 T34	N30-G32 PolarHBondContact O-N 3.02Å; G32-T34 PolarHBondContact O-N 2.91Å
33	Y	31	Very low	33.4	Very low	205 Å²	205	155.3 Å²	155.3	80%	0.804	79%	0.79	S	S	*	*			trans	-64.5	109.5	164.5	-84.2	-94.2	0	0	0	108.2	H31 E35	H31-Y33 PolarHBondContact O-N 3.21Å; Y33-E35 VanDerWaalsContact C-N 3.32Å; Y33-E35 PolarHBondContact O-N 3.03Å; Y33-E35 VanDerWaalsContact O-N 3.14Å
34	T	31.3	Very low	35.4	Very low	143 Å²	143	151.6 Å²	151.6	88%	0.877	77%	0.772	S	S	*	*			trans	-72.4	95.2	154.2	37.6	0	0	0	0	107.3	G32 N36	G32-T34 PolarHBondContact O-N 2.91Å; T34-N36 PolarHBondContact O-N 3.1Å
35	E	32.2	Very low	38.3	Very low	167 Å²	167	148.4 Å²	148.4	78%	0.78	76%	0.763	S	S	*	*			trans	-64.4	119.4	168.8	-76.9	-174.3	148.4	0	0	109.9	Y33 V37	Y33-E35 VanDerWaalsContact C-N 3.32Å; Y33-E35 PolarHBondContact O-N 3.03Å; Y33-E35 VanDerWaalsContact O-N 3.14Å; E35-V37 PolarHBondContact O-N 3.18Å
36	N	30.3	Very low	41.4	Very low	164 Å²	164	147.5 Å²	147.5	88%	0.877	75%	0.745	S	S	*	*			trans	-66.6	119.9	151.5	-95.7	-27.8	0	0	0	107.6	T34 S38	T34-N36 PolarHBondContact O-N 3.1Å; N36-S38 PolarHBondContact O-N 3.31Å
37	V	40.4	Very low	44.4	Very low	142 Å²	142	142.1 Å²	142.1	86%	0.861	73%	0.725	S	S	*	*	S	Bend	trans	-58.5	99	177.8	178.5	0	0	0	0	109.8	E35	E35-V37 PolarHBondContact O-N 3.18Å
38	S	40.4	Very low	47.6	Very low	99 Å²	99	143.2 Å²	143.2	69%	0.692	73%	0.728	S	S	*	*			trans	165.9	91.1	144.9	45	0	0	0	0	110.5	N36	N36-S38 PolarHBondContact O-N 3.31Å
39	R	35.5	Very low	50.9	Low	250 Å²	250	135.9 Å²	135.9	94%	0.943	69%	0.693	S	S	*	*			trans	-166.7	140.3	154.6	-105.9	147.3	-168.4	-161.4	3.4	111.7
40	K	39.4	Very low	54.3	Low	198 Å²	198	132 Å²	132	86%	0.861	68%	0.684	S	S	*	*			trans	-55.5	134.7	-177.9	-68.1	169.9	173.3	176.8	0	111.1	H42	K40-H42 PolarHBondContact O-N 3.29Å
41	N	41.9	Very low	57.7	Low	163 Å²	163	125 Å²	125	87%	0.872	65%	0.647	S	S	*	*			trans	-58.2	96.1	167.2	-72.4	-20.3	0	0	0	110.2
42	H	49.8	Very low	61	Low	178 Å²	178	119.3 Å²	119.3	82%	0.824	62%	0.622	S	S	*	*			trans	-96.2	107.7	160.4	-126.8	-67.5	0	0	0	106.3	K40 D44	K40-H42 PolarHBondContact O-N 3.29Å; H42-D44 PolarHBondContact O-N 2.97Å
43	V	60.9	Low	64.3	Low	128 Å²	128	119.4 Å²	119.4	78%	0.776	60%	0.604	S	S	*	*			trans	-69.3	110.8	166.3	179.9	0	0	0	0	105.6	D45	V43-D45 PolarHBondContact O-N 2.98Å
44	D	74	Confident	67.5	Low	71 Å²	71	109.7 Å²	109.7	38%	0.38	57%	0.566	S	S	.	*			trans	-67.9	112.9	172.9	-170	1.6	0	0	0	107.2	H42 Y46 W49	H42-D44 PolarHBondContact O-N 2.97Å; D44-Y46 PolarHBondContact O-N 2.99Å; D44-Y46 PolarHBondContact OD1-N 3.47Å; D44-W49 PolarHBondContact OD2-NE1 3.04Å
45	D	84.7	Confident	70.7	Confident	109 Å²	109	102.9 Å²	102.9	58%	0.583	52%	0.524	S	S	*	.			trans	-82.7	5.8	-177.4	66.2	0.4	0	0	0	112.4	V43 S47	V43-D45 PolarHBondContact O-N 2.98Å; D45-S47 VanDerWaalsContact CG-OG 3.28Å; D45-S47 PolarHBondContact O-N 2.94Å; D45-S47 WeakPolarHBondContact OD1-CB 3.25Å; D45-S47 PolarHBondContact OD1-N 2.81Å; D45-S47 PolarHBondContact OD1-OG 3.16Å; D45-S47 PolarHBondContact OD2-OG 2.7Å
46	Y	90.6	Very high	73.8	Confident	103 Å²	103	97.3 Å²	97.3	40%	0.404	50%	0.498	S	S	.	.	S	Bend	trans	62.5	3.9	-179.6	-39.2	-64.8	0	0	0	114.2	D44 T48 W49 I59	D44-Y46 PolarHBondContact O-N 2.99Å; D44-Y46 PolarHBondContact OD1-N 3.47Å; Y46-T48 PolarHBondContact O-N 3.15Å; Y46-W49 HydrophobicContact CD1-CD2 4.24Å; Y46-W49 AromaticContact CD1-CE2 3.84Å; Y46-W49 HydrophobicContact CD1-CE3 4.5Å; Y46-W49 HydrophobicContact CD1-CH2 4.12Å; Y46-W49 AromaticContact CD1-CZ2 3.8Å; Y46-W49 HydrophobicContact CD1-CZ2 3.8Å; Y46-W49 HydrophobicContact CD1-CZ3 4.44Å; Y46-W49 HydrophobicContact CE1-CH2 4.36Å; Y46-W49 HydrophobicContact CE1-CZ2 4.19Å; Y46-W49 WeakPolarHBondContact O-CB 3.42Å; Y46-W49 PolarHBondContact O-N 3.1Å; Y46-W49 VanDerWaalsContact O-N 3.12Å; Y46-I59 HydrophobicContact CD1-CD1 4.5Å; Y46-I59 HydrophobicContact CD2-CD1 4.27Å; Y46-I59 HydrophobicContact CD2-CG2 4.03Å; Y46-I59 HydrophobicContact CE2-CD1 4.31Å; Y46-I59 HydrophobicContact CG-CD1 4.36Å; Y46-I59 HydrophobicContact CG-CG1 4.31Å; Y46-I59 HydrophobicContact CG-CG2 4.19Å
47	S	89.8	Confident	77	Confident	53 Å²	53	95.9 Å²	95.9	37%	0.371	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-22.5	-176	65.1	0	0	0	0	113.4	D45 R62	D45-S47 VanDerWaalsContact CG-OG 3.28Å; D45-S47 PolarHBondContact O-N 2.94Å; D45-S47 WeakPolarHBondContact OD1-CB 3.25Å; D45-S47 PolarHBondContact OD1-N 2.81Å; D45-S47 PolarHBondContact OD1-OG 3.16Å; D45-S47 PolarHBondContact OD2-OG 2.7Å; S47-R62 PolarHBondContact O-NE 2.94Å; S47-R62 PolarHBondContact O-NH1 2.96Å; S47-R62 PolarHBondContact O-NH2 2.89Å
48	T	92.6	Very high	79.6	Confident	114 Å²	114	90.4 Å²	90.4	70%	0.699	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-6.5	-179.9	59.5	0	0	0	0	113.4	Y46	Y46-T48 PolarHBondContact O-N 3.15Å
49	W	96.2	Very high	82.4	Confident	28 Å²	28	87.5 Å²	87.5	11%	0.106	43%	0.43	C	S	.	.			trans	-72.6	139.8	-177.5	-70.2	27.4	0	0	0	110.3	D44 Y46 K53 Y57 I59 R62	D44-W49 PolarHBondContact OD2-NE1 3.04Å; Y46-W49 HydrophobicContact CD1-CD2 4.24Å; Y46-W49 AromaticContact CD1-CE2 3.84Å; Y46-W49 HydrophobicContact CD1-CE3 4.5Å; Y46-W49 HydrophobicContact CD1-CH2 4.12Å; Y46-W49 AromaticContact CD1-CZ2 3.8Å; Y46-W49 HydrophobicContact CD1-CZ2 3.8Å; Y46-W49 HydrophobicContact CD1-CZ3 4.44Å; Y46-W49 HydrophobicContact CE1-CH2 4.36Å; Y46-W49 HydrophobicContact CE1-CZ2 4.19Å; Y46-W49 WeakPolarHBondContact O-CB 3.42Å; Y46-W49 PolarHBondContact O-N 3.1Å; Y46-W49 VanDerWaalsContact O-N 3.12Å; W49-K53 HydrophobicContact CB-CD 4.43Å; W49-K53 HydrophobicContact CD2-CD 3.66Å; W49-K53 HydrophobicContact CD2-CG 4.08Å; W49-K53 VanDerWaalsContact CE2-NZ 3.34Å; W49-K53 HydrophobicContact CE3-CB 4.27Å; W49-K53 HydrophobicContact CE3-CD 3.7Å; W49-K53 HydrophobicContact CE3-CG 3.58Å; W49-K53 HydrophobicContact CG-CD 4Å; W49-K53 HydrophobicContact CZ3-CD 4.19Å; W49-K53 HydrophobicContact CZ3-CG 3.94Å; W49-Y57 HydrophobicContact CE3-CD2 4.39Å; W49-Y57 HydrophobicContact CH2-CD1 4.03Å; W49-Y57 HydrophobicContact CH2-CD2 4.06Å; W49-Y57 HydrophobicContact CH2-CE1 4.25Å; W49-Y57 HydrophobicContact CH2-CE2 4.27Å; W49-Y57 AromaticContact CH2-CG 3.93Å; W49-Y57 HydrophobicContact CH2-CG 3.93Å; W49-Y57 HydrophobicContact CZ3-CD1 4.04Å; W49-Y57 AromaticContact CZ3-CD2 3.47Å; W49-Y57 HydrophobicContact CZ3-CD2 3.47Å; W49-Y57 VanDerWaalsContact CZ3-CD2 3.47Å; W49-Y57 HydrophobicContact CZ3-CE2 4.04Å; W49-Y57 AromaticContact CZ3-CG 3.46Å; W49-Y57 HydrophobicContact CZ3-CG 3.46Å; W49-Y57 VanDerWaalsContact CZ3-CG 3.46Å; W49-I59 HydrophobicContact CE3-CG1 4.49Å; W49-I59 HydrophobicContact CZ3-CG1 4.41Å; W49-R62 PolarHBondContact O-NE 3.02Å; W49-R62 PolarHBondContact O-NH2 2.8Å; W49-R62 VanDerWaalsContact O-NH2 3.15Å
50	D	96.6	Very high	85.3	Confident	88 Å²	88	78.7 Å²	78.7	47%	0.471	40%	0.399	S	S	.	.			trans	-69.5	164.5	170.2	69.3	73.4	0	0	0	111	V52 K53 A54	D50-V52 VanDerWaalsContact C-N 3.3Å; D50-V52 PolarHBondContact O-N 3.4Å; D50-V52 WeakPolarHBondContact OD1-CA 3.16Å; D50-V52 WeakPolarHBondContact OD1-CB 3.27Å; D50-V52 PolarHBondContact OD1-N 2.87Å; D50-K53 PolarHBondContact O-N 3.38Å; D50-K53 PolarHBondContact OD1-N 2.89Å; D50-A54 VanDerWaalsContact O-CB 3.29Å; D50-A54 WeakPolarHBondContact O-CB 3.36Å; D50-A54 PolarHBondContact O-N 2.92Å
51	I	97.9	Very high	88.1	Confident	9 Å²	9	75.1 Å²	75.1	5%	0.046	39%	0.385	C	S	.	.	H	α-helix	trans	-67.2	-29.7	-174.1	-168.1	162.3	0	0	0	113.1	T55 L66 V67 F71 L83	I51-T55 VanDerWaalsContact O-CB 3.23Å; I51-T55 WeakPolarHBondContact O-CB 3.45Å; I51-T55 PolarHBondContact O-N 3.47Å; I51-T55 PolarHBondContact O-OG1 3.23Å; I51-L66 HydrophobicContact CB-CB 4.36Å; I51-L66 HydrophobicContact CB-CD1 3.65Å; I51-L66 HydrophobicContact CD1-CB 3.95Å; I51-L66 HydrophobicContact CG1-CB 4.38Å; I51-L66 HydrophobicContact CG1-CD1 4.29Å; I51-V67 HydrophobicContact CD1-CG2 3.69Å; I51-F71 HydrophobicContact CD1-CB 4.13Å; I51-F71 HydrophobicContact CD1-CD1 3.67Å; I51-F71 HydrophobicContact CD1-CE1 4.24Å; I51-F71 HydrophobicContact CD1-CG 3.84Å; I51-F71 HydrophobicContact CG2-CD1 4.23Å; I51-F71 HydrophobicContact CG2-CD2 3.9Å; I51-F71 HydrophobicContact CG2-CE1 3.91Å; I51-F71 HydrophobicContact CG2-CE2 3.54Å; I51-F71 HydrophobicContact CG2-CG 4.24Å; I51-F71 HydrophobicContact CG2-CZ 3.56Å; I51-L83 HydrophobicContact CD1-CD1 3.49Å; I51-L83 VanDerWaalsContact CD1-CD1 3.49Å; I51-L83 HydrophobicContact CG1-CD1 3.82Å; I51-L83 HydrophobicContact CG1-CD2 4.06Å; I51-L83 HydrophobicContact CG2-CD2 3.94Å
52	V	97.9	Very high	90.7	Very high	28 Å²	28	69 Å²	69	17%	0.17	35%	0.35	C	S	.	.	H	α-helix	trans	-70.3	-50.2	178.4	172.3	0	0	0	0	109.2	D50 A54 T55 Q56 D77 L83 W86	D50-V52 VanDerWaalsContact C-N 3.3Å; D50-V52 PolarHBondContact O-N 3.4Å; D50-V52 WeakPolarHBondContact OD1-CA 3.16Å; D50-V52 WeakPolarHBondContact OD1-CB 3.27Å; D50-V52 PolarHBondContact OD1-N 2.87Å; V52-A54 PolarHBondContact O-N 2.79Å; V52-T55 WeakPolarHBondContact O-CA 3.31Å; V52-T55 WeakPolarHBondContact O-CB 3.5Å; V52-T55 PolarHBondContact O-N 2.92Å; V52-T55 VanDerWaalsContact O-N 3.11Å; V52-Q56 HydrophobicContact CG1-CG 4.46Å; V52-Q56 WeakPolarHBondContact O-CG 3.43Å; V52-Q56 PolarHBondContact O-N 3.25Å; V52-D77 HydrophobicContact CG2-CB 4.43Å; V52-L83 HydrophobicContact CG2-CD2 4.04Å; V52-W86 HydrophobicContact CG1-CD2 4.17Å; V52-W86 HydrophobicContact CG1-CG 4.06Å
53	K	97.4	Very high	93	Very high	68 Å²	68	60.5 Å²	60.5	30%	0.296	31%	0.311	S	S	.	.	H	α-helix	trans	-61.5	-45.7	176.6	-166.2	-174	177.1	-168.6	0	111.2	W49 D50 T55 Q56 Y57	W49-K53 HydrophobicContact CB-CD 4.43Å; W49-K53 HydrophobicContact CD2-CD 3.66Å; W49-K53 HydrophobicContact CD2-CG 4.08Å; W49-K53 VanDerWaalsContact CE2-NZ 3.34Å; W49-K53 HydrophobicContact CE3-CB 4.27Å; W49-K53 HydrophobicContact CE3-CD 3.7Å; W49-K53 HydrophobicContact CE3-CG 3.58Å; W49-K53 HydrophobicContact CG-CD 4Å; W49-K53 HydrophobicContact CZ3-CD 4.19Å; W49-K53 HydrophobicContact CZ3-CG 3.94Å; D50-K53 PolarHBondContact O-N 3.38Å; D50-K53 PolarHBondContact OD1-N 2.89Å; K53-T55 PolarHBondContact O-N 2.92Å; K53-Q56 PolarHBondContact O-N 2.75Å; K53-Y57 HydrophobicContact CG-CD2 4.06Å; K53-Y57 HydrophobicContact CG-CE2 4.03Å; K53-Y57 VanDerWaalsContact O-CD2 3.29Å; K53-Y57 WeakPolarHBondContact O-CD2 3.35Å; K53-Y57 PolarHBondContact O-N 3.1Å; K53-Y57 VanDerWaalsContact O-N 3.14Å
54	A	98.1	Very high	94.8	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-58.1	-38.7	174.8	0	0	0	0	0	111.7	D50 V52 G58 I59 R62 C63	D50-A54 VanDerWaalsContact O-CB 3.29Å; D50-A54 WeakPolarHBondContact O-CB 3.36Å; D50-A54 PolarHBondContact O-N 2.92Å; V52-A54 PolarHBondContact O-N 2.79Å; A54-G58 PolarHBondContact O-N 3.13Å; A54-I59 HydrophobicContact CB-CB 4.38Å; A54-I59 PolarHBondContact O-N 2.75Å; A54-R62 HydrophobicContact CB-CB 4.14Å; A54-R62 HydrophobicContact CB-CG 3.74Å; A54-C63 VanDerWaalsContact CB-SG 3.56Å
55	T	98.4	Very high	95.9	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-65.6	-50.7	176.4	-63.2	0	0	0	0	112.1	I51 V52 K53 Y57 G58 C63 W86 A87 R92 L95 Y99	I51-T55 VanDerWaalsContact O-CB 3.23Å; I51-T55 WeakPolarHBondContact O-CB 3.45Å; I51-T55 PolarHBondContact O-N 3.47Å; I51-T55 PolarHBondContact O-OG1 3.23Å; V52-T55 WeakPolarHBondContact O-CA 3.31Å; V52-T55 WeakPolarHBondContact O-CB 3.5Å; V52-T55 PolarHBondContact O-N 2.92Å; V52-T55 VanDerWaalsContact O-N 3.11Å; K53-T55 PolarHBondContact O-N 2.92Å; T55-Y57 VanDerWaalsContact C-N 3.25Å; T55-Y57 PolarHBondContact O-N 2.75Å; T55-G58 PolarHBondContact O-N 2.9Å; T55-C63 PolarHBondContact N-SG 3.23Å; T55-W86 HydrophobicContact CG2-CB 3.77Å; T55-A87 HydrophobicContact CG2-CB 3.78Å; T55-R92 WeakPolarHBondContact O-CG 3.42Å; T55-L95 HydrophobicContact CG2-CD1 4.16Å; T55-Y99 HydrophobicContact CG2-CE2 3.85Å; T55-Y99 PolarHBondContact OG1-OH 2.92Å
56	Q	97.3	Very high	96.5	Very high	50 Å²	50	57.2 Å²	57.2	23%	0.234	28%	0.278	C	S	.	.	H	α-helix	trans	-55.9	-42.6	-178.9	-72.1	169.9	-12.7	0	0	111.4	V52 K53 W86 N90 R92	V52-Q56 HydrophobicContact CG1-CG 4.46Å; V52-Q56 WeakPolarHBondContact O-CG 3.43Å; V52-Q56 PolarHBondContact O-N 3.25Å; K53-Q56 PolarHBondContact O-N 2.75Å; Q56-W86 HydrophobicContact CG-CB 4.28Å; Q56-W86 HydrophobicContact CG-CD2 4.12Å; Q56-W86 HydrophobicContact CG-CE3 3.8Å; Q56-W86 HydrophobicContact CG-CG 4.35Å; Q56-W86 VanDerWaalsContact NE2-CZ3 3.28Å; Q56-N90 WeakPolarHBondContact O-CB 3.34Å; Q56-R92 VanDerWaalsContact O-CZ 3.29Å; Q56-R92 PolarHBondContact O-NE 3.3Å; Q56-R92 PolarHBondContact O-NH2 3.02Å
57	Y	96.6	Very high	96.9	Very high	134 Å²	134	53.1 Å²	53.1	53%	0.525	26%	0.263	S	S	.	.	H	α-helix	trans	-84.5	-8.7	179.2	-74.3	-98.4	0	0	0	114.3	W49 K53 T55 R92	W49-Y57 HydrophobicContact CE3-CD2 4.39Å; W49-Y57 HydrophobicContact CH2-CD1 4.03Å; W49-Y57 HydrophobicContact CH2-CD2 4.06Å; W49-Y57 HydrophobicContact CH2-CE1 4.25Å; W49-Y57 HydrophobicContact CH2-CE2 4.27Å; W49-Y57 AromaticContact CH2-CG 3.93Å; W49-Y57 HydrophobicContact CH2-CG 3.93Å; W49-Y57 HydrophobicContact CZ3-CD1 4.04Å; W49-Y57 AromaticContact CZ3-CD2 3.47Å; W49-Y57 HydrophobicContact CZ3-CD2 3.47Å; W49-Y57 VanDerWaalsContact CZ3-CD2 3.47Å; W49-Y57 HydrophobicContact CZ3-CE2 4.04Å; W49-Y57 AromaticContact CZ3-CG 3.46Å; W49-Y57 HydrophobicContact CZ3-CG 3.46Å; W49-Y57 VanDerWaalsContact CZ3-CG 3.46Å; K53-Y57 HydrophobicContact CG-CD2 4.06Å; K53-Y57 HydrophobicContact CG-CE2 4.03Å; K53-Y57 VanDerWaalsContact O-CD2 3.29Å; K53-Y57 WeakPolarHBondContact O-CD2 3.35Å; K53-Y57 PolarHBondContact O-N 3.1Å; K53-Y57 VanDerWaalsContact O-N 3.14Å; T55-Y57 VanDerWaalsContact C-N 3.25Å; T55-Y57 PolarHBondContact O-N 2.75Å; Y57-R92 PolarHBondContact O-NH2 3.16Å
58	G	96.8	Very high	97.2	Very high	27 Å²	27	55.9 Å²	55.9	28%	0.278	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.8	28.2	176.7	0	0	0	0	0	114.4	A54 T55 F60	A54-G58 PolarHBondContact O-N 3.13Å; T55-G58 PolarHBondContact O-N 2.9Å; G58-F60 VanDerWaalsContact C-N 3.31Å; G58-F60 PolarHBondContact O-N 2.99Å
59	I	97.6	Very high	97.4	Very high	39 Å²	39	54.5 Å²	54.5	20%	0.2	27%	0.271	C	S	.	.			trans	-78.1	83.7	177.9	-46.9	-56.3	0	0	0	108.7	Y46 W49 A54 E61 R62 C63	Y46-I59 HydrophobicContact CD1-CD1 4.5Å; Y46-I59 HydrophobicContact CD2-CD1 4.27Å; Y46-I59 HydrophobicContact CD2-CG2 4.03Å; Y46-I59 HydrophobicContact CE2-CD1 4.31Å; Y46-I59 HydrophobicContact CG-CD1 4.36Å; Y46-I59 HydrophobicContact CG-CG1 4.31Å; Y46-I59 HydrophobicContact CG-CG2 4.19Å; W49-I59 HydrophobicContact CE3-CG1 4.49Å; W49-I59 HydrophobicContact CZ3-CG1 4.41Å; A54-I59 HydrophobicContact CB-CB 4.38Å; A54-I59 PolarHBondContact O-N 2.75Å; I59-E61 PolarHBondContact O-N 2.9Å; I59-R62 HydrophobicContact CB-CB 4.16Å; I59-R62 HydrophobicContact CG2-CB 3.6Å; I59-R62 PolarHBondContact O-N 3.07Å; I59-C63 PolarHBondContact O-N 3.07Å; I59-C63 VanDerWaalsContact O-N 3.1Å; I59-C63 PolarHBondContact O-SG 3.18Å
60	F	97.3	Very high	97.5	Very high	65 Å²	65	56.2 Å²	56.2	29%	0.285	30%	0.297	S	S	.	.	H	α-helix	trans	-56.3	-50.8	-170	-175.4	-91	0	0	0	113.3	G58 R62 C63 R64 D94 L95 Y98	G58-F60 VanDerWaalsContact C-N 3.31Å; G58-F60 PolarHBondContact O-N 2.99Å; F60-R62 VanDerWaalsContact C-N 3.31Å; F60-R62 PolarHBondContact O-N 3.04Å; F60-C63 WeakPolarHBondContact O-CB 3.36Å; F60-C63 PolarHBondContact O-N 2.99Å; F60-R64 HydrophobicContact CE1-CB 4.49Å; F60-R64 WeakPolarHBondContact O-CB 3.17Å; F60-R64 PolarHBondContact O-N 2.9Å; F60-D94 HydrophobicContact CD2-CB 4.13Å; F60-D94 HydrophobicContact CE2-CB 4.18Å; F60-L95 HydrophobicContact CD2-CD2 3.68Å; F60-L95 HydrophobicContact CD2-CG 4.16Å; F60-L95 HydrophobicContact CE2-CD2 4.26Å; F60-L95 HydrophobicContact CG-CD2 4.4Å; F60-Y98 HydrophobicContact CE2-CG 4.18Å; F60-Y98 HydrophobicContact CZ-CD2 4.19Å; F60-Y98 HydrophobicContact CZ-CG 4.18Å
61	E	97.1	Very high	97.5	Very high	122 Å²	122	55.2 Å²	55.2	57%	0.57	29%	0.289	S	S	*	.	H	α-helix	trans	-61.2	-39.9	-177.7	-64.7	-54.9	142.5	0	0	112	I59 R64 E65	I59-E61 PolarHBondContact O-N 2.9Å; E61-R64 PolarHBondContact O-N 3.02Å; E61-E65 WeakPolarHBondContact O-CB 3.25Å; E61-E65 PolarHBondContact O-N 2.99Å
62	R	97.3	Very high	97.5	Very high	34 Å²	34	58.8 Å²	58.8	13%	0.128	31%	0.308	C	S	.	.	H	α-helix	trans	-65.5	-42.3	177.1	179.5	56.9	-177	165.5	-1.2	112.1	S47 W49 A54 I59 F60 R64 E65 L66	S47-R62 PolarHBondContact O-NE 2.94Å; S47-R62 PolarHBondContact O-NH1 2.96Å; S47-R62 PolarHBondContact O-NH2 2.89Å; W49-R62 PolarHBondContact O-NE 3.02Å; W49-R62 PolarHBondContact O-NH2 2.8Å; W49-R62 VanDerWaalsContact O-NH2 3.15Å; A54-R62 HydrophobicContact CB-CB 4.14Å; A54-R62 HydrophobicContact CB-CG 3.74Å; I59-R62 HydrophobicContact CB-CB 4.16Å; I59-R62 HydrophobicContact CG2-CB 3.6Å; I59-R62 PolarHBondContact O-N 3.07Å; F60-R62 VanDerWaalsContact C-N 3.31Å; F60-R62 PolarHBondContact O-N 3.04Å; R62-R64 VanDerWaalsContact C-N 3.33Å; R62-E65 IonicContact CZ-OE2 2.75Å; R62-E65 IonicContact NH1-OE1 3.37Å; R62-E65 PolarHBondContact NH1-OE1 2.78Å; R62-E65 IonicContact NH1-OE2 3.66Å; R62-E65 PolarHBondContact NH1-OE2 2.66Å; R62-E65 PolarHBondContact O-N 2.88Å; R62-L66 HydrophobicContact CG-CD1 4.37Å; R62-L66 WeakPolarHBondContact O-CG 3.19Å; R62-L66 PolarHBondContact O-N 3.11Å; R62-L66 VanDerWaalsContact O-N 3.13Å
63	C	98.2	Very high	97.5	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-63.1	-42.8	176	-63.2	0	0	0	0	111.3	A54 T55 I59 F60 L66 V67 L95 Y99	A54-C63 VanDerWaalsContact CB-SG 3.56Å; T55-C63 PolarHBondContact N-SG 3.23Å; I59-C63 PolarHBondContact O-N 3.07Å; I59-C63 VanDerWaalsContact O-N 3.1Å; I59-C63 PolarHBondContact O-SG 3.18Å; F60-C63 WeakPolarHBondContact O-CB 3.36Å; F60-C63 PolarHBondContact O-N 2.99Å; C63-L66 PolarHBondContact O-N 3.34Å; C63-V67 WeakPolarHBondContact O-CG2 3.49Å; C63-V67 PolarHBondContact O-N 2.91Å; C63-L95 HydrophobicContact CB-CD2 3.54Å; C63-Y99 HydrophobicContact CB-CE1 4.42Å; C63-Y99 VanDerWaalsContact CB-OH 3.26Å; C63-Y99 WeakPolarHBondContact CB-OH 3.21Å; C63-Y99 PolarHBondContact SG-OH 3.45Å; C63-Y99 VanDerWaalsContact SG-OH 3.38Å
64	R	98.1	Very high	97.6	Very high	100 Å²	100	60.8 Å²	60.8	38%	0.377	31%	0.311	S	S	.	.	H	α-helix	trans	-61.7	-47.1	177.3	179.3	-179	178	-171.4	-2.3	111.7	F60 E61 R62 L66 V67 E68 Y98	F60-R64 HydrophobicContact CE1-CB 4.49Å; F60-R64 WeakPolarHBondContact O-CB 3.17Å; F60-R64 PolarHBondContact O-N 2.9Å; E61-R64 PolarHBondContact O-N 3.02Å; R62-R64 VanDerWaalsContact C-N 3.33Å; R64-L66 VanDerWaalsContact C-N 3.34Å; R64-L66 PolarHBondContact O-N 3.29Å; R64-V67 PolarHBondContact O-N 3.45Å; R64-E68 HydrophobicContact CG-CG 4.39Å; R64-E68 WeakPolarHBondContact CG-OE1 3.4Å; R64-E68 IonicContact CZ-OE1 3.9Å; R64-E68 IonicContact NE-OE1 2.78Å; R64-E68 PolarHBondContact NE-OE1 3.46Å; R64-E68 IonicContact NE-OE2 2.9Å; R64-E68 IonicContact NH2-OE1 2.73Å; R64-E68 PolarHBondContact NH2-OE1 2.81Å; R64-E68 WeakPolarHBondContact O-CB 3.27Å; R64-E68 WeakPolarHBondContact O-CG 3.38Å; R64-E68 PolarHBondContact O-N 3.06Å; R64-Y98 HydrophobicContact CB-CE1 4.43Å; R64-Y98 HydrophobicContact CG-CE2 4.2Å
65	E	97.5	Very high	97.5	Very high	103 Å²	103	66 Å²	66	48%	0.481	34%	0.335	S	S	.	.	H	α-helix	trans	-55.1	-48.9	176.5	-174	-160.3	158.5	0	0	111.2	E61 R62 V67 E68 A69	E61-E65 WeakPolarHBondContact O-CB 3.25Å; E61-E65 PolarHBondContact O-N 2.99Å; R62-E65 IonicContact CZ-OE2 2.75Å; R62-E65 IonicContact NH1-OE1 3.37Å; R62-E65 PolarHBondContact NH1-OE1 2.78Å; R62-E65 IonicContact NH1-OE2 3.66Å; R62-E65 PolarHBondContact NH1-OE2 2.66Å; R62-E65 PolarHBondContact O-N 2.88Å; E65-V67 PolarHBondContact O-N 3.25Å; E65-E68 PolarHBondContact O-N 3.19Å; E65-A69 VanDerWaalsContact O-CB 3.3Å; E65-A69 WeakPolarHBondContact O-CB 3.29Å; E65-A69 PolarHBondContact O-N 3.44Å
66	L	97.9	Very high	97.5	Very high	36 Å²	36	68.5 Å²	68.5	19%	0.188	35%	0.352	C	S	.	.	H	α-helix	trans	-66.7	-36.7	-178.5	-72.1	174.5	0	0	0	113.2	I51 R62 C63 R64 A69 G70 F71	I51-L66 HydrophobicContact CB-CB 4.36Å; I51-L66 HydrophobicContact CB-CD1 3.65Å; I51-L66 HydrophobicContact CD1-CB 3.95Å; I51-L66 HydrophobicContact CG1-CB 4.38Å; I51-L66 HydrophobicContact CG1-CD1 4.29Å; R62-L66 HydrophobicContact CG-CD1 4.37Å; R62-L66 WeakPolarHBondContact O-CG 3.19Å; R62-L66 PolarHBondContact O-N 3.11Å; R62-L66 VanDerWaalsContact O-N 3.13Å; C63-L66 PolarHBondContact O-N 3.34Å; R64-L66 VanDerWaalsContact C-N 3.34Å; R64-L66 PolarHBondContact O-N 3.29Å; L66-A69 PolarHBondContact O-N 3.31Å; L66-G70 PolarHBondContact O-N 3.33Å; L66-F71 WeakPolarHBondContact O-CB 3.48Å; L66-F71 PolarHBondContact O-N 2.89Å; L66-F71 VanDerWaalsContact O-N 3.07Å
67	V	98.1	Very high	97.5	Very high	17 Å²	17	68.3 Å²	68.3	10%	0.103	35%	0.352	C	S	.	.	H	α-helix	trans	-70.1	-41.1	174.6	173.2	0	0	0	0	111.3	I51 C63 R64 E65 A69 G70 V73 Y98 Y99 K102	I51-V67 HydrophobicContact CD1-CG2 3.69Å; C63-V67 WeakPolarHBondContact O-CG2 3.49Å; C63-V67 PolarHBondContact O-N 2.91Å; R64-V67 PolarHBondContact O-N 3.45Å; E65-V67 PolarHBondContact O-N 3.25Å; V67-A69 VanDerWaalsContact C-N 3.27Å; V67-A69 PolarHBondContact O-N 3.06Å; V67-G70 PolarHBondContact O-N 3.35Å; V67-V73 HydrophobicContact CG1-CG1 3.94Å; V67-V73 HydrophobicContact CG2-CG1 3.69Å; V67-Y98 HydrophobicContact CB-CE1 4.04Å; V67-Y98 HydrophobicContact CG1-CE1 4.17Å; V67-Y98 HydrophobicContact CG2-CE1 4.09Å; V67-Y99 HydrophobicContact CG2-CE1 4.13Å; V67-K102 HydrophobicContact CG1-CD 4.34Å; V67-K102 HydrophobicContact CG1-CG 4.08Å
68	E	97.1	Very high	97.5	Very high	111 Å²	111	72.3 Å²	72.3	52%	0.519	37%	0.372	S	S	.	.	H	α-helix	trans	-67.8	-28.2	175.5	-71.5	177	-176.9	0	0	112.3	R64 E65 G70	R64-E68 HydrophobicContact CG-CG 4.39Å; R64-E68 WeakPolarHBondContact CG-OE1 3.4Å; R64-E68 IonicContact CZ-OE1 3.9Å; R64-E68 IonicContact NE-OE1 2.78Å; R64-E68 PolarHBondContact NE-OE1 3.46Å; R64-E68 IonicContact NE-OE2 2.9Å; R64-E68 IonicContact NH2-OE1 2.73Å; R64-E68 PolarHBondContact NH2-OE1 2.81Å; R64-E68 WeakPolarHBondContact O-CB 3.27Å; R64-E68 WeakPolarHBondContact O-CG 3.38Å; R64-E68 PolarHBondContact O-N 3.06Å; E65-E68 PolarHBondContact O-N 3.19Å; E68-G70 PolarHBondContact O-N 3Å
69	A	97.3	Very high	97.4	Very high	86 Å²	86	76.5 Å²	76.5	71%	0.711	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-2.4	170.2	0	0	0	0	0	113.9	E65 L66 V67	E65-A69 VanDerWaalsContact O-CB 3.3Å; E65-A69 WeakPolarHBondContact O-CB 3.29Å; E65-A69 PolarHBondContact O-N 3.44Å; L66-A69 PolarHBondContact O-N 3.31Å; V67-A69 VanDerWaalsContact C-N 3.27Å; V67-A69 PolarHBondContact O-N 3.06Å
70	G	96.5	Very high	97.4	Very high	64 Å²	64	78.2 Å²	78.2	66%	0.66	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	110.5	8.9	171.1	0	0	0	0	0	115.7	L66 V67 E68 D72	L66-G70 PolarHBondContact O-N 3.33Å; V67-G70 PolarHBondContact O-N 3.35Å; E68-G70 PolarHBondContact O-N 3Å; G70-D72 PolarHBondContact O-N 2.67Å
71	F	97.9	Very high	97.4	Very high	66 Å²	66	75.2 Å²	75.2	29%	0.289	38%	0.381	S	S	.	.			trans	-66.8	123.2	173.1	-166.3	-78.1	0	0	0	110.8	I51 L66 V73 Q75 L83	I51-F71 HydrophobicContact CD1-CB 4.13Å; I51-F71 HydrophobicContact CD1-CD1 3.67Å; I51-F71 HydrophobicContact CD1-CE1 4.24Å; I51-F71 HydrophobicContact CD1-CG 3.84Å; I51-F71 HydrophobicContact CG2-CD1 4.23Å; I51-F71 HydrophobicContact CG2-CD2 3.9Å; I51-F71 HydrophobicContact CG2-CE1 3.91Å; I51-F71 HydrophobicContact CG2-CE2 3.54Å; I51-F71 HydrophobicContact CG2-CG 4.24Å; I51-F71 HydrophobicContact CG2-CZ 3.56Å; L66-F71 WeakPolarHBondContact O-CB 3.48Å; L66-F71 PolarHBondContact O-N 2.89Å; L66-F71 VanDerWaalsContact O-N 3.07Å; F71-V73 PolarHBondContact O-N 3.2Å; F71-Q75 HydrophobicContact CE1-CB 4.33Å; F71-Q75 HydrophobicContact CZ-CB 4.44Å; F71-L83 HydrophobicContact CD1-CD1 4.01Å; F71-L83 HydrophobicContact CE1-CD1 3.78Å; F71-L83 HydrophobicContact CE1-CG 4.25Å
72	D	98.1	Very high	97.5	Very high	85 Å²	85	69.7 Å²	69.7	46%	0.455	36%	0.356	S	S	.	.			trans	-76.7	117.1	176.4	-176.4	-3.7	0	0	0	110.5	G70 R74 Q75	G70-D72 PolarHBondContact O-N 2.67Å; D72-R74 PolarHBondContact O-N 3.09Å; D72-R74 WeakPolarHBondContact OD1-CB 3.38Å; D72-R74 PolarHBondContact OD1-N 3.4Å; D72-Q75 HydrophobicContact CB-CB 4.31Å; D72-Q75 VanDerWaalsContact O-CB 3.25Å; D72-Q75 WeakPolarHBondContact O-CB 3.47Å; D72-Q75 PolarHBondContact O-N 3.1Å
73	V	97.9	Very high	97.5	Very high	3 Å²	3	68.2 Å²	68.2	2%	0.018	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-14.7	179.2	-61.6	0	0	0	0	113.9	V67 F71 L83 Y99 K102 A104	V67-V73 HydrophobicContact CG1-CG1 3.94Å; V67-V73 HydrophobicContact CG2-CG1 3.69Å; F71-V73 PolarHBondContact O-N 3.2Å; V73-L83 HydrophobicContact CG1-CD1 4.45Å; V73-Y99 HydrophobicContact CB-CD1 4.49Å; V73-Y99 HydrophobicContact CG1-CD1 3.77Å; V73-Y99 HydrophobicContact CG1-CE1 4.36Å; V73-Y99 HydrophobicContact CG1-CG 4.48Å; V73-K102 HydrophobicContact CG1-CB 3.97Å; V73-K102 HydrophobicContact CG2-CB 3.89Å; V73-K102 WeakPolarHBondContact CG2-O 3.38Å; V73-A104 HydrophobicContact CG2-CB 4.11Å
74	R	97.9	Very high	97.6	Very high	134 Å²	134	68.3 Å²	68.3	51%	0.506	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-16.4	174.7	-61.6	-178.7	173.8	-176.8	-1.6	113.1	D72 P76 G103	D72-R74 PolarHBondContact O-N 3.09Å; D72-R74 WeakPolarHBondContact OD1-CB 3.38Å; D72-R74 PolarHBondContact OD1-N 3.4Å; R74-P76 VanDerWaalsContact O-CD 3.28Å; R74-P76 WeakPolarHBondContact O-CD 3.46Å; R74-G103 VanDerWaalsContact CZ-O 3.26Å; R74-G103 PolarHBondContact NE-O 3.18Å; R74-G103 PolarHBondContact NH2-O 3.14Å
75	Q	97.4	Very high	97.6	Very high	109 Å²	109	63.5 Å²	63.5	51%	0.509	33%	0.333	S	S	.	.			trans	-65.9	119.5	-178.9	-175.3	176.1	-12.3	0	0	109.5	F71 D72	F71-Q75 HydrophobicContact CE1-CB 4.33Å; F71-Q75 HydrophobicContact CZ-CB 4.44Å; D72-Q75 HydrophobicContact CB-CB 4.31Å; D72-Q75 VanDerWaalsContact O-CB 3.25Å; D72-Q75 WeakPolarHBondContact O-CB 3.47Å; D72-Q75 PolarHBondContact O-N 3.1Å
76	P	97.4	Very high	97.6	Very high	54 Å²	54	60.6 Å²	60.6	35%	0.351	32%	0.317	S	S	.	.			trans	-75.4	156.7	173.2	31.3	-32.7	0	0	0	110.9	R74 V81	R74-P76 VanDerWaalsContact O-CD 3.28Å; R74-P76 WeakPolarHBondContact O-CD 3.46Å; P76-V81 WeakPolarHBondContact CA-O 3.36Å
77	D	96.9	Very high	97.7	Very high	45 Å²	45	58.9 Å²	58.9	24%	0.241	31%	0.308	C	S	.	.			trans	-77.7	-170	168.4	66.3	26.8	0	0	0	112.1	V52 E79 N80 V81 W86	V52-D77 HydrophobicContact CG2-CB 4.43Å; D77-E79 PolarHBondContact O-N 2.86Å; D77-E79 PolarHBondContact OD1-N 2.94Å; D77-N80 PolarHBondContact O-N 3.11Å; D77-N80 VanDerWaalsContact O-N 3.13Å; D77-N80 PolarHBondContact OD1-N 3.34Å; D77-V81 VanDerWaalsContact CG-O 3.27Å; D77-V81 PolarHBondContact N-O 3.43Å; D77-V81 WeakPolarHBondContact OD1-CB 3.45Å; D77-V81 PolarHBondContact OD1-N 3.31Å; D77-W86 PolarHBondContact OD2-NE1 3.08Å
78	K	96.4	Very high	97.7	Very high	219 Å²	219	58 Å²	58	95%	0.952	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-21	-176.8	-65	-179.6	-178.1	175.6	0	113.7	N80	K78-N80 VanDerWaalsContact C-N 3.32Å
79	E	94.6	Very high	97.8	Very high	115 Å²	115	54.8 Å²	54.8	54%	0.537	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	15.8	179.2	-65.7	176.5	-162.7	0	0	111.1	D77 V81 G111	D77-E79 PolarHBondContact O-N 2.86Å; D77-E79 PolarHBondContact OD1-N 2.94Å; E79-V81 HydrophobicContact CB-CG2 4.02Å; E79-V81 PolarHBondContact O-N 3.44Å; E79-G111 WeakPolarHBondContact O-CA 3.45Å
80	N	97.6	Very high	97.8	Very high	74 Å²	74	53.3 Å²	53.3	40%	0.396	27%	0.269	S	S	.	.	S	Bend	trans	59.6	29.3	-174.7	-168.3	41.9	0	0	0	112.6	D77 K78 G110 G111	D77-N80 PolarHBondContact O-N 3.11Å; D77-N80 VanDerWaalsContact O-N 3.13Å; D77-N80 PolarHBondContact OD1-N 3.34Å; K78-N80 VanDerWaalsContact C-N 3.32Å; N80-G110 CarbonylContact O-C 3.57Å; N80-G110 WeakPolarHBondContact O-CA 3.29Å; N80-G111 PolarHBondContact O-N 3.35Å
81	V	98.4	Very high	97.9	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.012	25%	0.251	C	S	.	.			trans	-101.5	130.4	179.5	-176.6	0	0	0	0	109.5	P76 D77 E79 H85 W86 W120	P76-V81 WeakPolarHBondContact CA-O 3.36Å; D77-V81 VanDerWaalsContact CG-O 3.27Å; D77-V81 PolarHBondContact N-O 3.43Å; D77-V81 WeakPolarHBondContact OD1-CB 3.45Å; D77-V81 PolarHBondContact OD1-N 3.31Å; E79-V81 HydrophobicContact CB-CG2 4.02Å; E79-V81 PolarHBondContact O-N 3.44Å; V81-H85 HydrophobicContact CG1-CB 3.46Å; V81-H85 VanDerWaalsContact CG1-CB 3.46Å; V81-W86 HydrophobicContact CB-CZ2 4.34Å; V81-W86 HydrophobicContact CG1-CD2 4.16Å; V81-W86 HydrophobicContact CG1-CG 4.27Å; V81-W86 HydrophobicContact CG1-CZ2 4.07Å; V81-W120 HydrophobicContact CB-CH2 4.43Å; V81-W120 HydrophobicContact CG1-CH2 3.65Å; V81-W120 HydrophobicContact CG1-CZ2 4.3Å; V81-W120 HydrophobicContact CG1-CZ3 3.9Å; V81-W120 HydrophobicContact CG2-CH2 3.82Å; V81-W120 HydrophobicContact CG2-CZ2 4.12Å
82	T	98.4	Very high	97.9	Very high	7 Å²	7	53.6 Å²	53.6	4%	0.043	25%	0.253	C	S	.	.			trans	-87.2	161.3	177.7	72	0	0	0	0	111.9	L84 H85 W86 Q108	T82-L84 PolarHBondContact O-N 2.82Å; T82-L84 VanDerWaalsContact O-N 3.12Å; T82-L84 PolarHBondContact OG1-N 3.43Å; T82-H85 PolarHBondContact N-ND1 3.36Å; T82-H85 WeakPolarHBondContact O-CB 3.39Å; T82-H85 PolarHBondContact O-N 3.28Å; T82-H85 PolarHBondContact OG1-ND1 3.23Å; T82-W86 PolarHBondContact O-N 3.48Å; T82-Q108 HydrophobicContact CG2-CB 4.46Å; T82-Q108 HydrophobicContact CG2-CG 3.77Å
83	L	98.6	Very high	97.9	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.016	24%	0.24	C	C	.	.	H	α-helix	trans	-56.1	-30.8	173.5	-60.4	-177.8	0	0	0	112.9	I51 V52 F71 V73 H85 W86 A87 Y99	I51-L83 HydrophobicContact CD1-CD1 3.49Å; I51-L83 VanDerWaalsContact CD1-CD1 3.49Å; I51-L83 HydrophobicContact CG1-CD1 3.82Å; I51-L83 HydrophobicContact CG1-CD2 4.06Å; I51-L83 HydrophobicContact CG2-CD2 3.94Å; V52-L83 HydrophobicContact CG2-CD2 4.04Å; F71-L83 HydrophobicContact CD1-CD1 4.01Å; F71-L83 HydrophobicContact CE1-CD1 3.78Å; F71-L83 HydrophobicContact CE1-CG 4.25Å; V73-L83 HydrophobicContact CG1-CD1 4.45Å; L83-H85 VanDerWaalsContact C-N 3.34Å; L83-H85 PolarHBondContact O-N 3.02Å; L83-W86 PolarHBondContact O-N 3.31Å; L83-A87 WeakPolarHBondContact O-CB 3.37Å; L83-A87 PolarHBondContact O-N 3.41Å; L83-Y99 HydrophobicContact CB-CD2 3.94Å; L83-Y99 HydrophobicContact CB-CE2 3.68Å; L83-Y99 HydrophobicContact CD1-CE1 4.14Å; L83-Y99 HydrophobicContact CD1-CE2 4.41Å
84	L	98.6	Very high	97.9	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-67.2	-35.3	179	-161.5	64.2	0	0	0	112	T82 A88 V96 I100 A104 P117	T82-L84 PolarHBondContact O-N 2.82Å; T82-L84 VanDerWaalsContact O-N 3.12Å; T82-L84 PolarHBondContact OG1-N 3.43Å; L84-A88 WeakPolarHBondContact O-CB 3.25Å; L84-A88 PolarHBondContact O-N 3.09Å; L84-V96 HydrophobicContact CD1-CB 4.24Å; L84-V96 HydrophobicContact CD1-CG1 4.03Å; L84-V96 HydrophobicContact CD1-CG2 4.04Å; L84-I100 HydrophobicContact CD1-CD1 4.31Å; L84-I100 HydrophobicContact CD1-CG1 3.97Å; L84-I100 HydrophobicContact CD2-CG1 4.2Å; L84-A104 HydrophobicContact CD2-CB 4.18Å; L84-P117 HydrophobicContact CB-CG 4.08Å; L84-P117 HydrophobicContact CD2-CG 4.02Å; L84-P117 HydrophobicContact CG-CB 4.16Å; L84-P117 HydrophobicContact CG-CG 3.96Å
85	H	98.8	Very high	97.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.9	-49.4	172.6	-69.8	86.6	0	0	0	111.4	V81 T82 L83 A87 A88 I89 Q108 S115 P117 W120	V81-H85 HydrophobicContact CG1-CB 3.46Å; V81-H85 VanDerWaalsContact CG1-CB 3.46Å; T82-H85 PolarHBondContact N-ND1 3.36Å; T82-H85 WeakPolarHBondContact O-CB 3.39Å; T82-H85 PolarHBondContact O-N 3.28Å; T82-H85 PolarHBondContact OG1-ND1 3.23Å; L83-H85 VanDerWaalsContact C-N 3.34Å; L83-H85 PolarHBondContact O-N 3.02Å; H85-A87 VanDerWaalsContact C-N 3.31Å; H85-A87 PolarHBondContact O-N 3.09Å; H85-A88 PolarHBondContact O-N 3.35Å; H85-A88 VanDerWaalsContact O-N 3.17Å; H85-I89 WeakPolarHBondContact O-CG2 3.36Å; H85-I89 PolarHBondContact O-N 3.45Å; H85-Q108 PolarHBondContact CE1-O 3.41Å; H85-Q108 PolarHBondContact NE2-O 3.45Å; H85-S115 PolarHBondContact NE2-O 3.32Å; H85-P117 WeakPolarHBondContact NE2-CD 3.03Å; H85-W120 HydrophobicContact CB-CD2 4.13Å; H85-W120 HydrophobicContact CB-CE3 3.83Å; H85-W120 HydrophobicContact CB-CZ3 4.1Å; H85-W120 AromaticContact CD2-NE1 3.98Å
86	W	98.5	Very high	98	Very high	41 Å²	41	44.7 Å²	44.7	16%	0.155	22%	0.218	C	C	.	.	H	α-helix	trans	-61	-39.6	178.6	-70.4	121.1	0	0	0	112.5	V52 T55 Q56 D77 V81 T82 L83 I89 N90 W120	V52-W86 HydrophobicContact CG1-CD2 4.17Å; V52-W86 HydrophobicContact CG1-CG 4.06Å; T55-W86 HydrophobicContact CG2-CB 3.77Å; Q56-W86 HydrophobicContact CG-CB 4.28Å; Q56-W86 HydrophobicContact CG-CD2 4.12Å; Q56-W86 HydrophobicContact CG-CE3 3.8Å; Q56-W86 HydrophobicContact CG-CG 4.35Å; Q56-W86 VanDerWaalsContact NE2-CZ3 3.28Å; D77-W86 PolarHBondContact OD2-NE1 3.08Å; V81-W86 HydrophobicContact CB-CZ2 4.34Å; V81-W86 HydrophobicContact CG1-CD2 4.16Å; V81-W86 HydrophobicContact CG1-CG 4.27Å; V81-W86 HydrophobicContact CG1-CZ2 4.07Å; T82-W86 PolarHBondContact O-N 3.48Å; L83-W86 PolarHBondContact O-N 3.31Å; W86-I89 HydrophobicContact CE3-CG2 4.26Å; W86-N90 WeakPolarHBondContact O-CB 3.28Å; W86-N90 PolarHBondContact O-N 3.37Å; W86-N90 PolarHBondContact O-ND2 3.14Å; W86-W120 HydrophobicContact CD2-CZ3 4.43Å; W86-W120 HydrophobicContact CE3-CZ3 4.04Å; W86-W120 HydrophobicContact CH2-CH2 4.42Å; W86-W120 HydrophobicContact CH2-CZ3 4.31Å; W86-W120 AromaticContact CZ3-CZ3 3.98Å; W86-W120 HydrophobicContact CZ3-CZ3 3.98Å
87	A	98.7	Very high	98	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-67.7	-41.1	175.3	0	0	0	0	0	111.7	T55 L83 H85 N91 R92 L95 V96 Y99	T55-A87 HydrophobicContact CG2-CB 3.78Å; L83-A87 WeakPolarHBondContact O-CB 3.37Å; L83-A87 PolarHBondContact O-N 3.41Å; H85-A87 VanDerWaalsContact C-N 3.31Å; H85-A87 PolarHBondContact O-N 3.09Å; A87-N91 PolarHBondContact O-N 2.93Å; A87-R92 HydrophobicContact CB-CB 4.26Å; A87-R92 PolarHBondContact O-N 2.99Å; A87-L95 HydrophobicContact CB-CB 4.18Å; A87-V96 HydrophobicContact CB-CG2 3.59Å; A87-Y99 HydrophobicContact CB-CD2 4.23Å; A87-Y99 HydrophobicContact CB-CE2 4.19Å
88	A	98.6	Very high	98.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-66.4	-50.2	-178.6	0	0	0	0	0	112.8	L84 H85 N90 N91 P117 A121 M129 L133	L84-A88 WeakPolarHBondContact O-CB 3.25Å; L84-A88 PolarHBondContact O-N 3.09Å; H85-A88 PolarHBondContact O-N 3.35Å; H85-A88 VanDerWaalsContact O-N 3.17Å; A88-N90 PolarHBondContact O-N 3.48Å; A88-N91 PolarHBondContact O-N 3.32Å; A88-N91 VanDerWaalsContact O-N 3.12Å; A88-P117 HydrophobicContact CB-CB 3.86Å; A88-P117 WeakPolarHBondContact CB-O 3.22Å; A88-A121 HydrophobicContact CB-CB 4.32Å; A88-M129 HydrophobicContact CB-CG 4.07Å; A88-M129 HydrophobicContact CB-SD 4.48Å; A88-L133 HydrophobicContact CB-CD1 4Å
89	I	98.4	Very high	98.2	Very high	43 Å²	43	34.4 Å²	34.4	22%	0.221	17%	0.165	C	C	.	.	H	α-helix	trans	-66.3	-22	-179.9	-159.7	169.1	0	0	0	113.2	H85 W86 W120 Q124 H126	H85-I89 WeakPolarHBondContact O-CG2 3.36Å; H85-I89 PolarHBondContact O-N 3.45Å; W86-I89 HydrophobicContact CE3-CG2 4.26Å; I89-W120 HydrophobicContact CB-CB 4.09Å; I89-W120 HydrophobicContact CB-CE3 3.77Å; I89-W120 HydrophobicContact CD1-CB 4.41Å; I89-W120 HydrophobicContact CD1-CD2 4.1Å; I89-W120 HydrophobicContact CD1-CE3 3.6Å; I89-W120 HydrophobicContact CD1-CG 4.49Å; I89-W120 HydrophobicContact CD1-CZ3 4.15Å; I89-W120 HydrophobicContact CG1-CB 4.4Å; I89-W120 HydrophobicContact CG1-CE3 4.25Å; I89-W120 HydrophobicContact CG2-CE3 3.79Å; I89-W120 HydrophobicContact CG2-CZ3 4.19Å; I89-Q124 HydrophobicContact CG1-CB 4.15Å; I89-Q124 HydrophobicContact CG1-CG 4.36Å; I89-H126 PolarHBondContact O-CD2 2.74Å; I89-H126 VanDerWaalsContact O-CD2 3.24Å; I89-H126 PolarHBondContact O-NE2 3.36Å
90	N	98.2	Very high	98.4	Very high	54 Å²	54	30.2 Å²	30.2	29%	0.289	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101	12.2	176.9	-70.2	-77.5	0	0	0	113.3	Q56 W86 A88 R92	Q56-N90 WeakPolarHBondContact O-CB 3.34Å; W86-N90 WeakPolarHBondContact O-CB 3.28Å; W86-N90 PolarHBondContact O-N 3.37Å; W86-N90 PolarHBondContact O-ND2 3.14Å; A88-N90 PolarHBondContact O-N 3.48Å; N90-R92 VanDerWaalsContact C-N 3.28Å; N90-R92 HydrophobicContact CB-CG 3.93Å; N90-R92 VanDerWaalsContact O-CD 3.28Å; N90-R92 WeakPolarHBondContact O-CD 3.47Å; N90-R92 PolarHBondContact O-N 2.97Å; N90-R92 PolarHBondContact O-NE 2.99Å
91	N	98	Very high	98.4	Very high	53 Å²	53	30.9 Å²	30.9	28%	0.283	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	54	36.2	179.2	-157.7	25.6	0	0	0	114.5	A87 A88 I93 H126 S128	A87-N91 PolarHBondContact O-N 2.93Å; A88-N91 PolarHBondContact O-N 3.32Å; A88-N91 VanDerWaalsContact O-N 3.12Å; N91-I93 PolarHBondContact O-N 3.45Å; N91-I93 VanDerWaalsContact O-N 3.09Å; N91-H126 HydrophobicContact CB-CB 4.3Å; N91-S128 PolarHBondContact ND2-OG 3.41Å; N91-S128 PolarHBondContact OD1-OG 3.03Å
92	R	98.3	Very high	98.4	Very high	84 Å²	84	35.6 Å²	35.6	32%	0.317	18%	0.177	S	C	.	.			trans	-86.1	75.6	-178.6	-51.2	-53.4	-175.9	-168.2	-5.8	111.2	T55 Q56 Y57 A87 N90 D94 L95 V96	T55-R92 WeakPolarHBondContact O-CG 3.42Å; Q56-R92 VanDerWaalsContact O-CZ 3.29Å; Q56-R92 PolarHBondContact O-NE 3.3Å; Q56-R92 PolarHBondContact O-NH2 3.02Å; Y57-R92 PolarHBondContact O-NH2 3.16Å; A87-R92 HydrophobicContact CB-CB 4.26Å; A87-R92 PolarHBondContact O-N 2.99Å; N90-R92 VanDerWaalsContact C-N 3.28Å; N90-R92 HydrophobicContact CB-CG 3.93Å; N90-R92 VanDerWaalsContact O-CD 3.28Å; N90-R92 WeakPolarHBondContact O-CD 3.47Å; N90-R92 PolarHBondContact O-N 2.97Å; N90-R92 PolarHBondContact O-NE 2.99Å; R92-D94 VanDerWaalsContact C-N 3.33Å; R92-D94 PolarHBondContact O-N 3.14Å; R92-L95 HydrophobicContact CB-CB 3.96Å; R92-L95 HydrophobicContact CB-CD1 4.04Å; R92-L95 HydrophobicContact CB-CG 4.34Å; R92-L95 HydrophobicContact CG-CD1 4.37Å; R92-L95 PolarHBondContact O-N 2.88Å; R92-V96 PolarHBondContact O-N 2.66Å
93	I	97.6	Very high	98.4	Very high	38 Å²	38	36.5 Å²	36.5	20%	0.195	19%	0.187	C	C	.	.	H	α-helix	trans	-53	-46.9	-172.9	-61.4	-68.5	0	0	0	112.4	N91 V96 K97 M129 Q132	N91-I93 PolarHBondContact O-N 3.45Å; N91-I93 VanDerWaalsContact O-N 3.09Å; I93-V96 PolarHBondContact O-N 2.65Å; I93-K97 HydrophobicContact CG2-CD 4.4Å; I93-K97 WeakPolarHBondContact O-CG 3.47Å; I93-K97 PolarHBondContact O-N 3.1Å; I93-K97 VanDerWaalsContact O-N 3.07Å; I93-M129 HydrophobicContact CD1-CB 4.38Å; I93-M129 HydrophobicContact CD1-CE 3.69Å; I93-M129 HydrophobicContact CD1-SD 4.11Å; I93-M129 HydrophobicContact CG1-CE 4.29Å; I93-Q132 HydrophobicContact CD1-CB 4.1Å; I93-Q132 HydrophobicContact CD1-CG 4.47Å; I93-Q132 HydrophobicContact CG2-CG 4.39Å
94	D	98.2	Very high	98.4	Very high	102 Å²	102	36.8 Å²	36.8	55%	0.545	19%	0.19	S	C	.	.	H	α-helix	trans	-71.3	-34.1	-176.2	-60.7	-37.6	0	0	0	112.7	F60 R92 K97 Y98	F60-D94 HydrophobicContact CD2-CB 4.13Å; F60-D94 HydrophobicContact CE2-CB 4.18Å; R92-D94 VanDerWaalsContact C-N 3.33Å; R92-D94 PolarHBondContact O-N 3.14Å; D94-K97 PolarHBondContact O-N 3.23Å; D94-K97 IonicContact OD1-NZ 3.65Å; D94-Y98 WeakPolarHBondContact O-CB 3.43Å; D94-Y98 PolarHBondContact O-N 3.44Å
95	L	98.7	Very high	98.4	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.016	21%	0.209	C	C	.	.	H	α-helix	trans	-67.2	-40	172.3	-76.1	179.8	0	0	0	112.1	T55 F60 C63 A87 R92 K97 Y98 Y99	T55-L95 HydrophobicContact CG2-CD1 4.16Å; F60-L95 HydrophobicContact CD2-CD2 3.68Å; F60-L95 HydrophobicContact CD2-CG 4.16Å; F60-L95 HydrophobicContact CE2-CD2 4.26Å; F60-L95 HydrophobicContact CG-CD2 4.4Å; C63-L95 HydrophobicContact CB-CD2 3.54Å; A87-L95 HydrophobicContact CB-CB 4.18Å; R92-L95 HydrophobicContact CB-CB 3.96Å; R92-L95 HydrophobicContact CB-CD1 4.04Å; R92-L95 HydrophobicContact CB-CG 4.34Å; R92-L95 HydrophobicContact CG-CD1 4.37Å; R92-L95 PolarHBondContact O-N 2.88Å; L95-K97 PolarHBondContact O-N 2.82Å; L95-Y98 PolarHBondContact O-N 3.4Å; L95-Y99 HydrophobicContact CB-CD2 4.37Å; L95-Y99 HydrophobicContact CB-CE2 4.03Å; L95-Y99 HydrophobicContact CD2-CE1 4.36Å; L95-Y99 HydrophobicContact CD2-CE2 4.39Å; L95-Y99 WeakPolarHBondContact O-CB 3.26Å; L95-Y99 WeakPolarHBondContact O-CD2 3.36Å; L95-Y99 VanDerWaalsContact O-CG 3.24Å; L95-Y99 PolarHBondContact O-N 3.04Å
96	V	98.7	Very high	98.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-60.1	-46.9	174.6	164.7	0	0	0	0	111	L84 A87 R92 I93 Y98 Y99 I100 M129 Q132 L133	L84-V96 HydrophobicContact CD1-CB 4.24Å; L84-V96 HydrophobicContact CD1-CG1 4.03Å; L84-V96 HydrophobicContact CD1-CG2 4.04Å; A87-V96 HydrophobicContact CB-CG2 3.59Å; R92-V96 PolarHBondContact O-N 2.66Å; I93-V96 PolarHBondContact O-N 2.65Å; V96-Y98 VanDerWaalsContact C-N 3.33Å; V96-Y98 PolarHBondContact O-N 3.19Å; V96-Y99 PolarHBondContact O-N 3.5Å; V96-I100 HydrophobicContact CG1-CD1 3.76Å; V96-I100 WeakPolarHBondContact O-CB 3.19Å; V96-I100 VanDerWaalsContact O-CG1 3.27Å; V96-I100 WeakPolarHBondContact O-CG1 3.4Å; V96-I100 PolarHBondContact O-N 3.12Å; V96-M129 HydrophobicContact CB-CE 4.22Å; V96-M129 HydrophobicContact CB-SD 4.07Å; V96-M129 HydrophobicContact CG1-SD 4.08Å; V96-M129 HydrophobicContact CG2-CE 3.55Å; V96-M129 HydrophobicContact CG2-SD 3.57Å; V96-M129 VanDerWaalsContact CG2-SD 3.57Å; V96-Q132 HydrophobicContact CG1-CG 4.41Å; V96-L133 HydrophobicContact CG1-CD2 3.76Å; V96-L133 HydrophobicContact CG1-CG 4.5Å
97	K	98.5	Very high	98.4	Very high	78 Å²	78	41.5 Å²	41.5	34%	0.339	22%	0.218	S	C	.	.	H	α-helix	trans	-58.6	-46	175.1	-66	173	-175.5	162.6	0	111.5	I93 D94 L95 S101 Y136	I93-K97 HydrophobicContact CG2-CD 4.4Å; I93-K97 WeakPolarHBondContact O-CG 3.47Å; I93-K97 PolarHBondContact O-N 3.1Å; I93-K97 VanDerWaalsContact O-N 3.07Å; D94-K97 PolarHBondContact O-N 3.23Å; D94-K97 IonicContact OD1-NZ 3.65Å; L95-K97 PolarHBondContact O-N 2.82Å; K97-S101 WeakPolarHBondContact O-CB 3.43Å; K97-S101 PolarHBondContact O-N 2.94Å; K97-Y136 HydrophobicContact CG-CE2 4.13Å; K97-Y136 WeakPolarHBondContact CG-OH 3.34Å
98	Y	98.6	Very high	98.4	Very high	24 Å²	24	45 Å²	45	9%	0.094	24%	0.235	C	C	.	.	H	α-helix	trans	-63.7	-50.4	179.9	177.6	-106.5	0	0	0	112.1	F60 R64 V67 D94 L95 V96 I100 S101 K102	F60-Y98 HydrophobicContact CE2-CG 4.18Å; F60-Y98 HydrophobicContact CZ-CD2 4.19Å; F60-Y98 HydrophobicContact CZ-CG 4.18Å; R64-Y98 HydrophobicContact CB-CE1 4.43Å; R64-Y98 HydrophobicContact CG-CE2 4.2Å; V67-Y98 HydrophobicContact CB-CE1 4.04Å; V67-Y98 HydrophobicContact CG1-CE1 4.17Å; V67-Y98 HydrophobicContact CG2-CE1 4.09Å; D94-Y98 WeakPolarHBondContact O-CB 3.43Å; D94-Y98 PolarHBondContact O-N 3.44Å; L95-Y98 PolarHBondContact O-N 3.4Å; V96-Y98 VanDerWaalsContact C-N 3.33Å; V96-Y98 PolarHBondContact O-N 3.19Å; Y98-I100 VanDerWaalsContact C-N 3.35Å; Y98-I100 PolarHBondContact O-N 3.4Å; Y98-S101 WeakPolarHBondContact O-CA 3.31Å; Y98-S101 WeakPolarHBondContact O-CB 3.49Å; Y98-S101 PolarHBondContact O-N 3.37Å; Y98-S101 VanDerWaalsContact O-N 3.09Å; Y98-S101 PolarHBondContact O-OG 3.47Å; Y98-K102 HydrophobicContact CE1-CG 4.2Å; Y98-K102 HydrophobicContact CE2-CD 4.47Å; Y98-K102 VanDerWaalsContact CE2-CE 3.41Å; Y98-K102 HydrophobicContact CE2-CG 4.2Å; Y98-K102 WeakPolarHBondContact O-CG 2.99Å; Y98-K102 PolarHBondContact O-N 3.41Å; Y98-K102 WeakPolarHBondContact OH-CE 3.42Å
99	Y	98.7	Very high	98.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62.8	-39.5	179.9	-64.1	-29.1	0	0	0	112.6	T55 C63 V67 V73 L83 A87 L95 V96 S101 K102 G103 A104	T55-Y99 HydrophobicContact CG2-CE2 3.85Å; T55-Y99 PolarHBondContact OG1-OH 2.92Å; C63-Y99 HydrophobicContact CB-CE1 4.42Å; C63-Y99 VanDerWaalsContact CB-OH 3.26Å; C63-Y99 WeakPolarHBondContact CB-OH 3.21Å; C63-Y99 PolarHBondContact SG-OH 3.45Å; C63-Y99 VanDerWaalsContact SG-OH 3.38Å; V67-Y99 HydrophobicContact CG2-CE1 4.13Å; V73-Y99 HydrophobicContact CB-CD1 4.49Å; V73-Y99 HydrophobicContact CG1-CD1 3.77Å; V73-Y99 HydrophobicContact CG1-CE1 4.36Å; V73-Y99 HydrophobicContact CG1-CG 4.48Å; L83-Y99 HydrophobicContact CB-CD2 3.94Å; L83-Y99 HydrophobicContact CB-CE2 3.68Å; L83-Y99 HydrophobicContact CD1-CE1 4.14Å; L83-Y99 HydrophobicContact CD1-CE2 4.41Å; A87-Y99 HydrophobicContact CB-CD2 4.23Å; A87-Y99 HydrophobicContact CB-CE2 4.19Å; L95-Y99 HydrophobicContact CB-CD2 4.37Å; L95-Y99 HydrophobicContact CB-CE2 4.03Å; L95-Y99 HydrophobicContact CD2-CE1 4.36Å; L95-Y99 HydrophobicContact CD2-CE2 4.39Å; L95-Y99 WeakPolarHBondContact O-CB 3.26Å; L95-Y99 WeakPolarHBondContact O-CD2 3.36Å; L95-Y99 VanDerWaalsContact O-CG 3.24Å; L95-Y99 PolarHBondContact O-N 3.04Å; V96-Y99 PolarHBondContact O-N 3.5Å; Y99-S101 VanDerWaalsContact C-N 3.33Å; Y99-S101 PolarHBondContact O-N 3.17Å; Y99-K102 CarbonylContact O-C 3.27Å; Y99-K102 WeakPolarHBondContact O-CA 3.34Å; Y99-K102 PolarHBondContact O-N 3.23Å; Y99-K102 VanDerWaalsContact O-N 3.09Å; Y99-G103 PolarHBondContact O-N 3.4Å; Y99-A104 VanDerWaalsContact O-CB 3.22Å; Y99-A104 WeakPolarHBondContact O-CB 3.46Å; Y99-A104 PolarHBondContact O-N 3.44Å
100	I	98.5	Very high	98.3	Very high	28 Å²	28	46.6 Å²	46.6	14%	0.144	24%	0.243	C	C	.	.	H	α-helix	trans	-63.4	-40.8	173.6	-68.2	170.6	0	0	0	110.8	L84 V96 Y98 K102 G103 V106 L133 Y136	L84-I100 HydrophobicContact CD1-CD1 4.31Å; L84-I100 HydrophobicContact CD1-CG1 3.97Å; L84-I100 HydrophobicContact CD2-CG1 4.2Å; V96-I100 HydrophobicContact CG1-CD1 3.76Å; V96-I100 WeakPolarHBondContact O-CB 3.19Å; V96-I100 VanDerWaalsContact O-CG1 3.27Å; V96-I100 WeakPolarHBondContact O-CG1 3.4Å; V96-I100 PolarHBondContact O-N 3.12Å; Y98-I100 VanDerWaalsContact C-N 3.35Å; Y98-I100 PolarHBondContact O-N 3.4Å; I100-K102 PolarHBondContact O-N 3.45Å; I100-G103 PolarHBondContact O-N 3.11Å; I100-V106 HydrophobicContact CD1-CG2 3.99Å; I100-V106 HydrophobicContact CG1-CG2 4.17Å; I100-V106 HydrophobicContact CG2-CG2 4.48Å; I100-L133 HydrophobicContact CD1-CD2 4.45Å; I100-Y136 HydrophobicContact CD1-CD1 4.29Å; I100-Y136 HydrophobicContact CD1-CD2 3.36Å; I100-Y136 HydrophobicContact CD1-CE2 3.91Å; I100-Y136 HydrophobicContact CD1-CG 3.59Å; I100-Y136 HydrophobicContact CG2-CD1 3.78Å; I100-Y136 HydrophobicContact CG2-CE1 4.02Å; I100-Y136 HydrophobicContact CG2-CG 4.14Å
101	S	98.3	Very high	98.2	Very high	87 Å²	87	44.3 Å²	44.3	61%	0.608	23%	0.233	S	C	*	.	H	α-helix	trans	-62.9	-22.9	174.4	82.6	0	0	0	0	113.9	K97 Y98 Y99 G103	K97-S101 WeakPolarHBondContact O-CB 3.43Å; K97-S101 PolarHBondContact O-N 2.94Å; Y98-S101 WeakPolarHBondContact O-CA 3.31Å; Y98-S101 WeakPolarHBondContact O-CB 3.49Å; Y98-S101 PolarHBondContact O-N 3.37Å; Y98-S101 VanDerWaalsContact O-N 3.09Å; Y98-S101 PolarHBondContact O-OG 3.47Å; Y99-S101 VanDerWaalsContact C-N 3.33Å; Y99-S101 PolarHBondContact O-N 3.17Å; S101-G103 VanDerWaalsContact C-N 3.33Å
102	K	98.4	Very high	98.2	Very high	102 Å²	102	48.9 Å²	48.9	44%	0.443	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	6.8	174.5	-62	-63.3	-176.2	176.7	0	113.1	V67 V73 Y98 Y99 I100	V67-K102 HydrophobicContact CG1-CD 4.34Å; V67-K102 HydrophobicContact CG1-CG 4.08Å; V73-K102 HydrophobicContact CG1-CB 3.97Å; V73-K102 HydrophobicContact CG2-CB 3.89Å; V73-K102 WeakPolarHBondContact CG2-O 3.38Å; Y98-K102 HydrophobicContact CE1-CG 4.2Å; Y98-K102 HydrophobicContact CE2-CD 4.47Å; Y98-K102 VanDerWaalsContact CE2-CE 3.41Å; Y98-K102 HydrophobicContact CE2-CG 4.2Å; Y98-K102 WeakPolarHBondContact O-CG 2.99Å; Y98-K102 PolarHBondContact O-N 3.41Å; Y98-K102 WeakPolarHBondContact OH-CE 3.42Å; Y99-K102 CarbonylContact O-C 3.27Å; Y99-K102 WeakPolarHBondContact O-CA 3.34Å; Y99-K102 PolarHBondContact O-N 3.23Å; Y99-K102 VanDerWaalsContact O-N 3.09Å; I100-K102 PolarHBondContact O-N 3.45Å
103	G	97.9	Very high	98.1	Very high	25 Å²	25	48 Å²	48	26%	0.258	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.6	14.5	172.9	0	0	0	0	0	115	R74 Y99 I100 S101 I105	R74-G103 VanDerWaalsContact CZ-O 3.26Å; R74-G103 PolarHBondContact NE-O 3.18Å; R74-G103 PolarHBondContact NH2-O 3.14Å; Y99-G103 PolarHBondContact O-N 3.4Å; I100-G103 PolarHBondContact O-N 3.11Å; S101-G103 VanDerWaalsContact C-N 3.33Å; G103-I105 PolarHBondContact O-N 3.21Å
104	A	98.4	Very high	98.1	Very high	10 Å²	10	50.4 Å²	50.4	8%	0.083	27%	0.271	C	S	.	.			trans	-55.8	138	171	0	0	0	0	0	111	V73 L84 Y99	V73-A104 HydrophobicContact CG2-CB 4.11Å; L84-A104 HydrophobicContact CD2-CB 4.18Å; Y99-A104 VanDerWaalsContact O-CB 3.22Å; Y99-A104 WeakPolarHBondContact O-CB 3.46Å; Y99-A104 PolarHBondContact O-N 3.44Å
105	I	98.6	Very high	98.1	Very high	77 Å²	77	45.5 Å²	45.5	40%	0.395	25%	0.245	S	C	.	.			trans	-83.5	119.1	-179.6	-60.9	168.1	0	0	0	108	G103 D107 Q108	G103-I105 PolarHBondContact O-N 3.21Å; I105-D107 PolarHBondContact O-N 3.03Å; I105-Q108 HydrophobicContact CB-CB 4.03Å; I105-Q108 HydrophobicContact CG2-CB 4.09Å; I105-Q108 WeakPolarHBondContact O-CB 3.24Å; I105-Q108 PolarHBondContact O-N 2.94Å
106	V	98.4	Very high	98.1	Very high	22 Å²	22	45.4 Å²	45.4	13%	0.133	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-45.5	-170.2	178.3	0	0	0	0	112.4	I100 P117 A138	I100-V106 HydrophobicContact CD1-CG2 3.99Å; I100-V106 HydrophobicContact CG1-CG2 4.17Å; I100-V106 HydrophobicContact CG2-CG2 4.48Å; V106-P117 VanDerWaalsContact O-CD 3.29Å; V106-P117 WeakPolarHBondContact O-CD 3.42Å; V106-P117 WeakPolarHBondContact O-CG 3.38Å; V106-A138 HydrophobicContact CG1-CB 3.52Å
107	D	98.6	Very high	98.1	Very high	42 Å²	42	45.4 Å²	45.4	23%	0.225	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	30.3	-179.3	-70.3	-37.3	0	0	0	112.7	I105 L109 T116 A138 D139 L142	I105-D107 PolarHBondContact O-N 3.03Å; D107-L109 PolarHBondContact O-N 2.9Å; D107-T116 HydrophobicContact CB-CG2 4.21Å; D107-A138 WeakPolarHBondContact OD1-CA 3.4Å; D107-A138 WeakPolarHBondContact OD2-CA 3.44Å; D107-D139 PolarHBondContact OD1-N 3.01Å; D107-D139 PolarHBondContact OD2-N 3.37Å; D107-L142 HydrophobicContact CB-CD1 3.67Å
108	Q	98.5	Very high	98.1	Very high	73 Å²	73	41.7 Å²	41.7	34%	0.341	23%	0.229	S	C	.	.			trans	-61	126.3	173.8	-177.5	56.8	53.2	0	0	109.6	T82 H85 I105 P117	T82-Q108 HydrophobicContact CG2-CB 4.46Å; T82-Q108 HydrophobicContact CG2-CG 3.77Å; H85-Q108 PolarHBondContact CE1-O 3.41Å; H85-Q108 PolarHBondContact NE2-O 3.45Å; I105-Q108 HydrophobicContact CB-CB 4.03Å; I105-Q108 HydrophobicContact CG2-CB 4.09Å; I105-Q108 WeakPolarHBondContact O-CB 3.24Å; I105-Q108 PolarHBondContact O-N 2.94Å; Q108-P117 WeakPolarHBondContact O-CD 3.26Å
109	L	98.4	Very high	98.2	Very high	77 Å²	77	40.6 Å²	40.6	40%	0.403	22%	0.224	S	C	.	.			trans	-75.4	136.5	171.6	-57.1	178.5	0	0	0	109.8	D107 S115 T116	D107-L109 PolarHBondContact O-N 2.9Å; L109-S115 CarbonylContact C-O 3.59Å; L109-S115 WeakPolarHBondContact CA-O 3.45Å; L109-T116 HydrophobicContact CD2-CG2 3.67Å
110	G	97	Very high	98.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-158.1	172.6	178.7	0	0	0	0	0	114	N80 S115	N80-G110 CarbonylContact O-C 3.57Å; N80-G110 WeakPolarHBondContact O-CA 3.29Å; G110-S115 PolarHBondContact N-O 2.85Å; G110-S115 PolarHBondContact O-N 3.47Å
111	G	96.7	Very high	98.2	Very high	6 Å²	6	41.1 Å²	41.1	6%	0.062	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	175	-175.9	0	0	0	0	0	114.2	E79 N80 L113 N114	E79-G111 WeakPolarHBondContact O-CA 3.45Å; N80-G111 PolarHBondContact O-N 3.35Å; G111-L113 PolarHBondContact O-N 3.07Å; G111-N114 PolarHBondContact O-N 3.44Å
112	D	96.8	Very high	98.2	Very high	148 Å²	148	37 Å²	37	79%	0.791	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-27.7	-178	-64.8	-25.4	0	0	0	113.4
113	L	96.4	Very high	98.2	Very high	67 Å²	67	34.2 Å²	34.2	35%	0.351	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	16.2	179.4	-60.8	-178.2	0	0	0	113.1	G111 S115 G145 E146	G111-L113 PolarHBondContact O-N 3.07Å; L113-S115 PolarHBondContact O-N 3.04Å; L113-S115 PolarHBondContact O-OG 3.45Å; L113-S115 VanDerWaalsContact O-OG 3.04Å; L113-G145 WeakPolarHBondContact O-CA 3.33Å; L113-G145 PolarHBondContact O-N 2.88Å; L113-E146 HydrophobicContact CD1-CG 4.3Å; L113-E146 HydrophobicContact CD2-CG 3.95Å
114	N	97.9	Very high	98.2	Very high	87 Å²	87	38.1 Å²	38.1	47%	0.465	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	38.7	51.4	-179.9	-76.7	-36.3	0	0	0	112.6	G111	G111-N114 PolarHBondContact O-N 3.44Å
115	S	98.4	Very high	98.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-101.3	159.4	-171.3	-70.2	0	0	0	0	110.3	H85 L109 G110 L113 D144	H85-S115 PolarHBondContact NE2-O 3.32Å; L109-S115 CarbonylContact C-O 3.59Å; L109-S115 WeakPolarHBondContact CA-O 3.45Å; G110-S115 PolarHBondContact N-O 2.85Å; G110-S115 PolarHBondContact O-N 3.47Å; L113-S115 PolarHBondContact O-N 3.04Å; L113-S115 PolarHBondContact O-OG 3.45Å; L113-S115 VanDerWaalsContact O-OG 3.04Å; S115-D144 WeakPolarHBondContact OG-CB 3.35Å
116	T	98.8	Very high	98.1	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.191	C	C	.	.			trans	-88.3	165	170	64.4	0	0	0	0	110.3	D107 L109 L118 H119 W120 L142	D107-T116 HydrophobicContact CB-CG2 4.21Å; L109-T116 HydrophobicContact CD2-CG2 3.67Å; T116-L118 PolarHBondContact O-N 2.97Å; T116-L118 PolarHBondContact OG1-N 3.14Å; T116-H119 PolarHBondContact N-ND1 3.06Å; T116-H119 WeakPolarHBondContact O-CB 3.47Å; T116-H119 PolarHBondContact O-N 3.34Å; T116-H119 VanDerWaalsContact O-N 3.1Å; T116-H119 PolarHBondContact OG1-N 2.81Å; T116-H119 VanDerWaalsContact OG1-N 3.14Å; T116-H119 PolarHBondContact OG1-ND1 3.18Å; T116-W120 PolarHBondContact O-N 3.36Å; T116-L142 HydrophobicContact CG2-CB 4.49Å; T116-L142 HydrophobicContact CG2-CD1 3.82Å
117	P	98.8	Very high	98	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-55.9	-32.9	168.5	-26.4	35.5	0	0	0	112.9	L84 H85 A88 V106 Q108 W120 A121 L133	L84-P117 HydrophobicContact CB-CG 4.08Å; L84-P117 HydrophobicContact CD2-CG 4.02Å; L84-P117 HydrophobicContact CG-CB 4.16Å; L84-P117 HydrophobicContact CG-CG 3.96Å; H85-P117 WeakPolarHBondContact NE2-CD 3.03Å; A88-P117 HydrophobicContact CB-CB 3.86Å; A88-P117 WeakPolarHBondContact CB-O 3.22Å; V106-P117 VanDerWaalsContact O-CD 3.29Å; V106-P117 WeakPolarHBondContact O-CD 3.42Å; V106-P117 WeakPolarHBondContact O-CG 3.38Å; Q108-P117 WeakPolarHBondContact O-CD 3.26Å; P117-W120 PolarHBondContact O-N 2.67Å; P117-A121 PolarHBondContact O-N 3.02Å; P117-L133 HydrophobicContact CB-CD1 4.23Å
118	L	98.9	Very high	97.9	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-67.4	-39.4	176.6	-177.1	64.6	0	0	0	111.9	T116 W120 A121 T122 V130 L133 M134 A138 P140	T116-L118 PolarHBondContact O-N 2.97Å; T116-L118 PolarHBondContact OG1-N 3.14Å; L118-W120 VanDerWaalsContact C-N 3.34Å; L118-W120 PolarHBondContact O-N 3.43Å; L118-A121 PolarHBondContact O-N 2.89Å; L118-T122 VanDerWaalsContact O-CB 3.3Å; L118-T122 WeakPolarHBondContact O-CB 3.34Å; L118-T122 PolarHBondContact O-N 2.99Å; L118-T122 PolarHBondContact O-OG1 2.86Å; L118-V130 HydrophobicContact CD1-CB 4.18Å; L118-V130 HydrophobicContact CD1-CG1 4.06Å; L118-V130 HydrophobicContact CD1-CG2 4.12Å; L118-L133 HydrophobicContact CB-CD1 4.2Å; L118-L133 HydrophobicContact CD1-CB 4.01Å; L118-L133 HydrophobicContact CD1-CD1 4.21Å; L118-M134 HydrophobicContact CD1-CG 4.26Å; L118-M134 HydrophobicContact CD2-CG 4.16Å; L118-A138 HydrophobicContact CB-CB 4.16Å; L118-A138 HydrophobicContact CD2-CB 3.8Å; L118-A138 HydrophobicContact CG-CB 4.41Å; L118-P140 HydrophobicContact CD2-CB 3.94Å
119	H	98.8	Very high	97.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-58.6	-46.3	171.5	-68.9	143.8	0	0	0	111.1	T116 T122 R123 L142 C150 L153	T116-H119 PolarHBondContact N-ND1 3.06Å; T116-H119 WeakPolarHBondContact O-CB 3.47Å; T116-H119 PolarHBondContact O-N 3.34Å; T116-H119 VanDerWaalsContact O-N 3.1Å; T116-H119 PolarHBondContact OG1-N 2.81Å; T116-H119 VanDerWaalsContact OG1-N 3.14Å; T116-H119 PolarHBondContact OG1-ND1 3.18Å; H119-T122 WeakPolarHBondContact O-CB 3.38Å; H119-T122 PolarHBondContact O-N 3.46Å; H119-T122 VanDerWaalsContact O-N 3.16Å; H119-R123 WeakPolarHBondContact O-CG 3.35Å; H119-R123 PolarHBondContact O-N 3.25Å; H119-L142 PolarHBondContact CE1-O 3.33Å; H119-L142 PolarHBondContact NE2-O 2.92Å; H119-C150 PolarHBondContact CD2-SG 3.37Å; H119-L153 HydrophobicContact CB-CD1 3.88Å
120	W	98.8	Very high	97.9	Very high	40 Å²	40	30.5 Å²	30.5	15%	0.152	16%	0.162	C	C	.	.	H	α-helix	trans	-62.8	-45.8	179.8	-78.2	38.1	0	0	0	112.4	V81 H85 W86 I89 T116 P117 L118 T122 R123 Q124	V81-W120 HydrophobicContact CB-CH2 4.43Å; V81-W120 HydrophobicContact CG1-CH2 3.65Å; V81-W120 HydrophobicContact CG1-CZ2 4.3Å; V81-W120 HydrophobicContact CG1-CZ3 3.9Å; V81-W120 HydrophobicContact CG2-CH2 3.82Å; V81-W120 HydrophobicContact CG2-CZ2 4.12Å; H85-W120 HydrophobicContact CB-CD2 4.13Å; H85-W120 HydrophobicContact CB-CE3 3.83Å; H85-W120 HydrophobicContact CB-CZ3 4.1Å; H85-W120 AromaticContact CD2-NE1 3.98Å; W86-W120 HydrophobicContact CD2-CZ3 4.43Å; W86-W120 HydrophobicContact CE3-CZ3 4.04Å; W86-W120 HydrophobicContact CH2-CH2 4.42Å; W86-W120 HydrophobicContact CH2-CZ3 4.31Å; W86-W120 AromaticContact CZ3-CZ3 3.98Å; W86-W120 HydrophobicContact CZ3-CZ3 3.98Å; I89-W120 HydrophobicContact CB-CB 4.09Å; I89-W120 HydrophobicContact CB-CE3 3.77Å; I89-W120 HydrophobicContact CD1-CB 4.41Å; I89-W120 HydrophobicContact CD1-CD2 4.1Å; I89-W120 HydrophobicContact CD1-CE3 3.6Å; I89-W120 HydrophobicContact CD1-CG 4.49Å; I89-W120 HydrophobicContact CD1-CZ3 4.15Å; I89-W120 HydrophobicContact CG1-CB 4.4Å; I89-W120 HydrophobicContact CG1-CE3 4.25Å; I89-W120 HydrophobicContact CG2-CE3 3.79Å; I89-W120 HydrophobicContact CG2-CZ3 4.19Å; T116-W120 PolarHBondContact O-N 3.36Å; P117-W120 PolarHBondContact O-N 2.67Å; L118-W120 VanDerWaalsContact C-N 3.34Å; L118-W120 PolarHBondContact O-N 3.43Å; W120-T122 VanDerWaalsContact C-N 3.26Å; W120-T122 PolarHBondContact O-N 2.74Å; W120-R123 PolarHBondContact O-N 3.11Å; W120-Q124 PolarHBondContact O-N 3.1Å
121	A	98.8	Very high	98	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-59.8	-37.8	173.7	0	0	0	0	0	112.4	A88 P117 L118 G125 H126 M129 V130 L133	A88-A121 HydrophobicContact CB-CB 4.32Å; P117-A121 PolarHBondContact O-N 3.02Å; L118-A121 PolarHBondContact O-N 2.89Å; A121-G125 PolarHBondContact O-N 3.05Å; A121-H126 PolarHBondContact O-N 3.26Å; A121-M129 HydrophobicContact CB-CB 3.93Å; A121-M129 HydrophobicContact CB-CG 3.6Å; A121-V130 HydrophobicContact CB-CG2 4.23Å; A121-L133 HydrophobicContact CB-CD1 4.2Å
122	T	98.8	Very high	98	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-69.4	-46.2	179.2	-61	0	0	0	0	111.9	L118 H119 W120 Q124 G125 C150 L153 A154 H159 I162	L118-T122 VanDerWaalsContact O-CB 3.3Å; L118-T122 WeakPolarHBondContact O-CB 3.34Å; L118-T122 PolarHBondContact O-N 2.99Å; L118-T122 PolarHBondContact O-OG1 2.86Å; H119-T122 WeakPolarHBondContact O-CB 3.38Å; H119-T122 PolarHBondContact O-N 3.46Å; H119-T122 VanDerWaalsContact O-N 3.16Å; W120-T122 VanDerWaalsContact C-N 3.26Å; W120-T122 PolarHBondContact O-N 2.74Å; T122-Q124 PolarHBondContact O-N 3.01Å; T122-G125 PolarHBondContact O-N 3.11Å; T122-G125 VanDerWaalsContact O-N 3.12Å; T122-C150 HydrophobicContact CG2-CB 4.2Å; T122-C150 VanDerWaalsContact CG2-O 3.3Å; T122-C150 WeakPolarHBondContact CG2-O 3.47Å; T122-L153 HydrophobicContact CG2-CB 3.86Å; T122-A154 HydrophobicContact CG2-CB 3.89Å; T122-H159 PolarHBondContact O-CD2 3.41Å; T122-I162 HydrophobicContact CG2-CG2 4.14Å
123	R	98.4	Very high	98.1	Very high	43 Å²	43	24.9 Å²	24.9	16%	0.162	13%	0.13	C	C	.	.	H	α-helix	trans	-57.1	-38.3	175.7	-69.3	-174.3	176	-104.1	-2.3	111.7	H119 W120 D144 E146 L153 F157 H159	H119-R123 WeakPolarHBondContact O-CG 3.35Å; H119-R123 PolarHBondContact O-N 3.25Å; W120-R123 PolarHBondContact O-N 3.11Å; R123-D144 IonicContact CZ-OD2 2.9Å; R123-D144 IonicContact NE-OD2 2.74Å; R123-D144 IonicContact NH2-OD2 3.2Å; R123-D144 PolarHBondContact NH2-OD2 2.9Å; R123-E146 IonicContact CZ-OE2 2.64Å; R123-E146 VanDerWaalsContact CZ-OE2 3.25Å; R123-E146 IonicContact NH1-OE2 3.06Å; R123-E146 PolarHBondContact NH1-OE2 3.21Å; R123-E146 IonicContact NH2-OE2 2.66Å; R123-E146 PolarHBondContact NH2-OE2 3.39Å; R123-L153 HydrophobicContact CG-CB 4.44Å; R123-L153 HydrophobicContact CG-CD1 4Å; R123-L153 HydrophobicContact CG-CD2 4.26Å; R123-L153 HydrophobicContact CG-CG 4.47Å; R123-L153 VanDerWaalsContact CZ-CD2 3.46Å; R123-L153 VanDerWaalsContact NH2-CD2 3.27Å; R123-F157 HydrophobicContact CB-CD2 4.33Å; R123-F157 HydrophobicContact CB-CE2 4.1Å; R123-F157 HydrophobicContact CG-CD2 4.3Å; R123-F157 HydrophobicContact CG-CE2 3.79Å; R123-H159 PolarHBondContact O-NE2 3.42Å
124	Q	98.1	Very high	98.2	Very high	107 Å²	107	23.2 Å²	23.2	50%	0.5	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-6.5	-179	-160.5	57.9	21.7	0	0	114.5	I89 W120 T122 H126	I89-Q124 HydrophobicContact CG1-CB 4.15Å; I89-Q124 HydrophobicContact CG1-CG 4.36Å; W120-Q124 PolarHBondContact O-N 3.1Å; T122-Q124 PolarHBondContact O-N 3.01Å; Q124-H126 VanDerWaalsContact CG-NE2 3.26Å; Q124-H126 WeakPolarHBondContact CG-NE2 3.41Å
125	G	97.1	Very high	98.2	Very high	22 Å²	22	24.4 Å²	24.4	23%	0.227	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	20.4	177.2	0	0	0	0	0	114.5	A121 T122 L127 H159	A121-G125 PolarHBondContact O-N 3.05Å; T122-G125 PolarHBondContact O-N 3.11Å; T122-G125 VanDerWaalsContact O-N 3.12Å; G125-L127 PolarHBondContact O-N 3.39Å; G125-L127 VanDerWaalsContact O-N 3.08Å; G125-H159 VanDerWaalsContact CA-CE1 3.42Å; G125-H159 WeakPolarHBondContact CA-CE1 3.46Å; G125-H159 WeakPolarHBondContact CA-ND1 3.19Å; G125-H159 WeakPolarHBondContact CA-NE2 3.3Å; G125-H159 PolarHBondContact N-NE2 2.94Å
126	H	97.8	Very high	98.2	Very high	42 Å²	42	28.9 Å²	28.9	19%	0.194	14%	0.139	C	C	.	.			trans	-84.6	78.6	-177.6	-66.2	-28.5	0	0	0	112.4	I89 N91 A121 Q124 S128 M129 V130	I89-H126 PolarHBondContact O-CD2 2.74Å; I89-H126 VanDerWaalsContact O-CD2 3.24Å; I89-H126 PolarHBondContact O-NE2 3.36Å; N91-H126 HydrophobicContact CB-CB 4.3Å; A121-H126 PolarHBondContact O-N 3.26Å; Q124-H126 VanDerWaalsContact CG-NE2 3.26Å; Q124-H126 WeakPolarHBondContact CG-NE2 3.41Å; H126-S128 VanDerWaalsContact C-N 3.29Å; H126-S128 PolarHBondContact O-N 2.8Å; H126-M129 HydrophobicContact CB-CB 3.83Å; H126-M129 WeakPolarHBondContact O-CB 3.42Å; H126-M129 PolarHBondContact O-N 2.9Å; H126-V130 PolarHBondContact O-N 3.03Å
127	L	96.3	Very high	98.2	Very high	25 Å²	25	31.4 Å²	31.4	13%	0.131	17%	0.166	C	C	.	.	H	α-helix	trans	-52.1	-43.7	179.7	178.3	66.3	0	0	0	113.2	G125 M129 V130 V131 I162 Y165 A418 L423	G125-L127 PolarHBondContact O-N 3.39Å; G125-L127 VanDerWaalsContact O-N 3.08Å; L127-M129 VanDerWaalsContact C-N 3.25Å; L127-M129 PolarHBondContact O-N 2.94Å; L127-V130 PolarHBondContact O-N 3.05Å; L127-V131 HydrophobicContact CD1-CG2 4.36Å; L127-V131 WeakPolarHBondContact O-CB 3.47Å; L127-V131 WeakPolarHBondContact O-CG2 3.39Å; L127-V131 PolarHBondContact O-N 3.18Å; L127-I162 HydrophobicContact CB-CG1 4.13Å; L127-I162 HydrophobicContact CD1-CG1 4.02Å; L127-Y165 HydrophobicContact CD1-CD1 4.44Å; L127-Y165 HydrophobicContact CD1-CG 4.19Å; L127-A418 HydrophobicContact CD1-CB 4.29Å; L127-A418 HydrophobicContact CD2-CB 4.21Å; L127-L423 HydrophobicContact CD2-CB 4.04Å; L127-L423 HydrophobicContact CD2-CD2 3.97Å
128	S	96.4	Very high	98.2	Very high	53 Å²	53	31.7 Å²	31.7	37%	0.371	17%	0.168	S	C	.	.	H	α-helix	trans	-58.9	-38	177.6	46.9	0	0	0	0	112.5	N91 H126 Q132	N91-S128 PolarHBondContact ND2-OG 3.41Å; N91-S128 PolarHBondContact OD1-OG 3.03Å; H126-S128 VanDerWaalsContact C-N 3.29Å; H126-S128 PolarHBondContact O-N 2.8Å; S128-Q132 WeakPolarHBondContact O-CB 3.21Å; S128-Q132 PolarHBondContact O-N 2.88Å
129	M	98.5	Very high	98.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-74.9	-41.6	178.3	-173.4	57.2	71.7	0	0	111.9	A88 I93 V96 A121 H126 L127 V131 Q132 L133	A88-M129 HydrophobicContact CB-CG 4.07Å; A88-M129 HydrophobicContact CB-SD 4.48Å; I93-M129 HydrophobicContact CD1-CB 4.38Å; I93-M129 HydrophobicContact CD1-CE 3.69Å; I93-M129 HydrophobicContact CD1-SD 4.11Å; I93-M129 HydrophobicContact CG1-CE 4.29Å; V96-M129 HydrophobicContact CB-CE 4.22Å; V96-M129 HydrophobicContact CB-SD 4.07Å; V96-M129 HydrophobicContact CG1-SD 4.08Å; V96-M129 HydrophobicContact CG2-CE 3.55Å; V96-M129 HydrophobicContact CG2-SD 3.57Å; V96-M129 VanDerWaalsContact CG2-SD 3.57Å; A121-M129 HydrophobicContact CB-CB 3.93Å; A121-M129 HydrophobicContact CB-CG 3.6Å; H126-M129 HydrophobicContact CB-CB 3.83Å; H126-M129 WeakPolarHBondContact O-CB 3.42Å; H126-M129 PolarHBondContact O-N 2.9Å; L127-M129 VanDerWaalsContact C-N 3.25Å; L127-M129 PolarHBondContact O-N 2.94Å; M129-V131 VanDerWaalsContact C-N 3.32Å; M129-V131 PolarHBondContact O-N 3.18Å; M129-Q132 PolarHBondContact O-N 2.93Å; M129-Q132 VanDerWaalsContact O-N 3.1Å; M129-L133 HydrophobicContact CG-CD1 3.9Å; M129-L133 HydrophobicContact CG-CG 4.27Å; M129-L133 WeakPolarHBondContact O-CB 3.46Å; M129-L133 WeakPolarHBondContact O-CG 3.39Å; M129-L133 PolarHBondContact O-N 3.45Å; M129-L133 HydrophobicContact SD-CD1 4.24Å; M129-L133 HydrophobicContact SD-CG 4.06Å
130	V	98.6	Very high	98.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-55.1	-49.9	173.4	167.6	0	0	0	0	110.5	L118 A121 H126 L127 Q132 L133 M134 I162 Y165 L166	L118-V130 HydrophobicContact CD1-CB 4.18Å; L118-V130 HydrophobicContact CD1-CG1 4.06Å; L118-V130 HydrophobicContact CD1-CG2 4.12Å; A121-V130 HydrophobicContact CB-CG2 4.23Å; H126-V130 PolarHBondContact O-N 3.03Å; L127-V130 PolarHBondContact O-N 3.05Å; V130-Q132 VanDerWaalsContact C-N 3.33Å; V130-Q132 PolarHBondContact O-N 3.43Å; V130-L133 PolarHBondContact O-N 3.07Å; V130-M134 HydrophobicContact CG1-SD 4.02Å; V130-M134 WeakPolarHBondContact O-CB 3.39Å; V130-M134 WeakPolarHBondContact O-CG 3.19Å; V130-M134 PolarHBondContact O-N 3.38Å; V130-I162 HydrophobicContact CG1-CG2 4.33Å; V130-I162 HydrophobicContact CG2-CD1 4.02Å; V130-I162 HydrophobicContact CG2-CG1 4.47Å; V130-I162 HydrophobicContact CG2-CG2 4.31Å; V130-Y165 HydrophobicContact CG1-CD1 4.04Å; V130-Y165 HydrophobicContact CG1-CE1 4.29Å; V130-L166 HydrophobicContact CG1-CD2 4.38Å
131	V	98.2	Very high	98.1	Very high	7 Å²	7	35.2 Å²	35.2	4%	0.042	19%	0.194	C	C	.	.	H	α-helix	trans	-55.3	-48.7	174.1	164.4	0	0	0	0	111.1	L127 M129 K135 Y165 A418 E419	L127-V131 HydrophobicContact CD1-CG2 4.36Å; L127-V131 WeakPolarHBondContact O-CB 3.47Å; L127-V131 WeakPolarHBondContact O-CG2 3.39Å; L127-V131 PolarHBondContact O-N 3.18Å; M129-V131 VanDerWaalsContact C-N 3.32Å; M129-V131 PolarHBondContact O-N 3.18Å; V131-K135 HydrophobicContact CG1-CD 4.24Å; V131-K135 WeakPolarHBondContact O-CG 3.39Å; V131-K135 PolarHBondContact O-N 3.1Å; V131-Y165 HydrophobicContact CG2-CD1 4.24Å; V131-Y165 HydrophobicContact CG2-CD2 4.43Å; V131-Y165 HydrophobicContact CG2-CE1 3.78Å; V131-Y165 HydrophobicContact CG2-CE2 4Å; V131-A418 HydrophobicContact CG2-CB 4.12Å; V131-E419 HydrophobicContact CG1-CB 4.34Å; V131-E419 HydrophobicContact CG1-CG 3.87Å; V131-E419 HydrophobicContact CG2-CG 4.44Å
132	Q	98.3	Very high	98.1	Very high	28 Å²	28	38 Å²	38	13%	0.131	21%	0.209	C	C	.	.	H	α-helix	trans	-65.4	-43.4	-175.1	-174.4	60.7	81.4	0	0	112.4	I93 V96 S128 M129 V130 K135 Y136	I93-Q132 HydrophobicContact CD1-CB 4.1Å; I93-Q132 HydrophobicContact CD1-CG 4.47Å; I93-Q132 HydrophobicContact CG2-CG 4.39Å; V96-Q132 HydrophobicContact CG1-CG 4.41Å; S128-Q132 WeakPolarHBondContact O-CB 3.21Å; S128-Q132 PolarHBondContact O-N 2.88Å; M129-Q132 PolarHBondContact O-N 2.93Å; M129-Q132 VanDerWaalsContact O-N 3.1Å; V130-Q132 VanDerWaalsContact C-N 3.33Å; V130-Q132 PolarHBondContact O-N 3.43Å; Q132-K135 WeakPolarHBondContact O-CB 3.43Å; Q132-K135 PolarHBondContact O-N 3.01Å; Q132-Y136 HydrophobicContact CG-CD2 4.34Å; Q132-Y136 HydrophobicContact CG-CE2 4.08Å; Q132-Y136 WeakPolarHBondContact O-CD2 3.3Å; Q132-Y136 PolarHBondContact O-N 2.95Å
133	L	98.7	Very high	98.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-67.4	-42.7	178.5	-72.3	171.2	0	0	0	111.5	A88 V96 I100 P117 L118 A121 M129 V130 K135 Y136 G137 A138	A88-L133 HydrophobicContact CB-CD1 4Å; V96-L133 HydrophobicContact CG1-CD2 3.76Å; V96-L133 HydrophobicContact CG1-CG 4.5Å; I100-L133 HydrophobicContact CD1-CD2 4.45Å; P117-L133 HydrophobicContact CB-CD1 4.23Å; L118-L133 HydrophobicContact CB-CD1 4.2Å; L118-L133 HydrophobicContact CD1-CB 4.01Å; L118-L133 HydrophobicContact CD1-CD1 4.21Å; A121-L133 HydrophobicContact CB-CD1 4.2Å; M129-L133 HydrophobicContact CG-CD1 3.9Å; M129-L133 HydrophobicContact CG-CG 4.27Å; M129-L133 WeakPolarHBondContact O-CB 3.46Å; M129-L133 WeakPolarHBondContact O-CG 3.39Å; M129-L133 PolarHBondContact O-N 3.45Å; M129-L133 HydrophobicContact SD-CD1 4.24Å; M129-L133 HydrophobicContact SD-CG 4.06Å; V130-L133 PolarHBondContact O-N 3.07Å; L133-K135 VanDerWaalsContact C-N 3.28Å; L133-K135 PolarHBondContact O-N 3.4Å; L133-Y136 CarbonylContact O-C 3.53Å; L133-Y136 WeakPolarHBondContact O-CA 3.46Å; L133-Y136 WeakPolarHBondContact O-CB 3.41Å; L133-Y136 PolarHBondContact O-N 3.25Å; L133-G137 PolarHBondContact O-N 3.09Å; L133-A138 VanDerWaalsContact C-CB 3.5Å; L133-A138 HydrophobicContact CB-CB 3.91Å; L133-A138 VanDerWaalsContact O-CB 3.27Å; L133-A138 WeakPolarHBondContact O-CB 3.35Å; L133-A138 PolarHBondContact O-N 3.48Å; L133-A138 VanDerWaalsContact O-N 3.1Å
134	M	98.6	Very high	98.1	Very high	32 Å²	32	39.5 Å²	39.5	16%	0.158	22%	0.219	C	C	.	.	H	α-helix	trans	-63.7	-32.6	175.3	-71.4	-177.5	69.3	0	0	112.5	L118 V130 Y136 G137 P140 Y165 L166 K169	L118-M134 HydrophobicContact CD1-CG 4.26Å; L118-M134 HydrophobicContact CD2-CG 4.16Å; V130-M134 HydrophobicContact CG1-SD 4.02Å; V130-M134 WeakPolarHBondContact O-CB 3.39Å; V130-M134 WeakPolarHBondContact O-CG 3.19Å; V130-M134 PolarHBondContact O-N 3.38Å; M134-Y136 PolarHBondContact O-N 3.21Å; M134-G137 PolarHBondContact O-N 3.05Å; M134-P140 HydrophobicContact CE-CG 3.87Å; M134-P140 HydrophobicContact SD-CG 4.44Å; M134-Y165 HydrophobicContact CE-CE1 4.4Å; M134-Y165 HydrophobicContact SD-CD1 4.2Å; M134-Y165 HydrophobicContact SD-CE1 3.63Å; M134-L166 HydrophobicContact CE-CD2 4.41Å; M134-L166 HydrophobicContact SD-CD2 3.77Å; M134-K169 HydrophobicContact CE-CB 3.89Å; M134-K169 HydrophobicContact CE-CG 4.02Å
135	K	97.7	Very high	98.1	Very high	112 Å²	112	36.9 Å²	36.9	49%	0.487	22%	0.221	S	C	.	.	H	α-helix	trans	-63	-27	170.7	-77.6	177.6	179.3	179.8	0	112.9	V131 Q132 L133 G137	V131-K135 HydrophobicContact CG1-CD 4.24Å; V131-K135 WeakPolarHBondContact O-CG 3.39Å; V131-K135 PolarHBondContact O-N 3.1Å; Q132-K135 WeakPolarHBondContact O-CB 3.43Å; Q132-K135 PolarHBondContact O-N 3.01Å; L133-K135 VanDerWaalsContact C-N 3.28Å; L133-K135 PolarHBondContact O-N 3.4Å; K135-G137 VanDerWaalsContact C-N 3.3Å
136	Y	98.2	Very high	98.1	Very high	94 Å²	94	39.8 Å²	39.8	37%	0.369	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	10.5	173.1	-72.3	-64.9	0	0	0	113.5	K97 I100 Q132 L133 M134	K97-Y136 HydrophobicContact CG-CE2 4.13Å; K97-Y136 WeakPolarHBondContact CG-OH 3.34Å; I100-Y136 HydrophobicContact CD1-CD1 4.29Å; I100-Y136 HydrophobicContact CD1-CD2 3.36Å; I100-Y136 HydrophobicContact CD1-CE2 3.91Å; I100-Y136 HydrophobicContact CD1-CG 3.59Å; I100-Y136 HydrophobicContact CG2-CD1 3.78Å; I100-Y136 HydrophobicContact CG2-CE1 4.02Å; I100-Y136 HydrophobicContact CG2-CG 4.14Å; Q132-Y136 HydrophobicContact CG-CD2 4.34Å; Q132-Y136 HydrophobicContact CG-CE2 4.08Å; Q132-Y136 WeakPolarHBondContact O-CD2 3.3Å; Q132-Y136 PolarHBondContact O-N 2.95Å; L133-Y136 CarbonylContact O-C 3.53Å; L133-Y136 WeakPolarHBondContact O-CA 3.46Å; L133-Y136 WeakPolarHBondContact O-CB 3.41Å; L133-Y136 PolarHBondContact O-N 3.25Å; M134-Y136 PolarHBondContact O-N 3.21Å
137	G	97.9	Very high	98.1	Very high	54 Å²	54	37.9 Å²	37.9	56%	0.557	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.3	12.6	174.6	0	0	0	0	0	115.1	L133 M134 K135 D139	L133-G137 PolarHBondContact O-N 3.09Å; M134-G137 PolarHBondContact O-N 3.05Å; K135-G137 VanDerWaalsContact C-N 3.3Å; G137-D139 PolarHBondContact O-N 3.09Å
138	A	98.6	Very high	98.2	Very high	5 Å²	5	36.8 Å²	36.8	4%	0.041	21%	0.214	C	C	.	.			trans	-58.7	129.7	173.7	0	0	0	0	0	111.2	V106 D107 L118 L133 P140	V106-A138 HydrophobicContact CG1-CB 3.52Å; D107-A138 WeakPolarHBondContact OD1-CA 3.4Å; D107-A138 WeakPolarHBondContact OD2-CA 3.44Å; L118-A138 HydrophobicContact CB-CB 4.16Å; L118-A138 HydrophobicContact CD2-CB 3.8Å; L118-A138 HydrophobicContact CG-CB 4.41Å; L133-A138 VanDerWaalsContact C-CB 3.5Å; L133-A138 HydrophobicContact CB-CB 3.91Å; L133-A138 VanDerWaalsContact O-CB 3.27Å; L133-A138 WeakPolarHBondContact O-CB 3.35Å; L133-A138 PolarHBondContact O-N 3.48Å; L133-A138 VanDerWaalsContact O-N 3.1Å; A138-P140 WeakPolarHBondContact O-CD 3.31Å
139	D	98.7	Very high	98.3	Very high	62 Å²	62	34.3 Å²	34.3	33%	0.332	20%	0.197	S	C	.	.			trans	-90.2	110.4	-179.8	-178	-0.4	0	0	0	111.7	D107 G137 S141 L142	D107-D139 PolarHBondContact OD1-N 3.01Å; D107-D139 PolarHBondContact OD2-N 3.37Å; G137-D139 PolarHBondContact O-N 3.09Å; D139-S141 VanDerWaalsContact CG-OG 3.23Å; D139-S141 PolarHBondContact O-N 3.08Å; D139-S141 VanDerWaalsContact OD1-CB 3.31Å; D139-S141 WeakPolarHBondContact OD1-CB 3.39Å; D139-S141 PolarHBondContact OD1-N 3.48Å; D139-S141 PolarHBondContact OD1-OG 3.49Å; D139-S141 PolarHBondContact OD2-OG 2.92Å; D139-S141 VanDerWaalsContact OD2-OG 3.11Å; D139-L142 HydrophobicContact CB-CD1 4.11Å; D139-L142 HydrophobicContact CB-CG 3.93Å; D139-L142 PolarHBondContact O-N 3.4Å
140	P	98.6	Very high	98.3	Very high	11 Å²	11	34.3 Å²	34.3	7%	0.071	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-11.1	179.7	30.9	-36.9	0	0	0	114.4	L118 M134 A138 C150 L166 Q171	L118-P140 HydrophobicContact CD2-CB 3.94Å; M134-P140 HydrophobicContact CE-CG 3.87Å; M134-P140 HydrophobicContact SD-CG 4.44Å; A138-P140 WeakPolarHBondContact O-CD 3.31Å; P140-C150 HydrophobicContact CB-CB 3.93Å; P140-C150 WeakPolarHBondContact O-CB 3.41Å; P140-C150 PolarHBondContact O-N 2.98Å; P140-C150 VanDerWaalsContact O-N 3.11Å; P140-L166 HydrophobicContact CB-CD2 3.71Å; P140-L166 HydrophobicContact CG-CD2 4.3Å; P140-Q171 HydrophobicContact CB-CG 4.43Å; P140-Q171 HydrophobicContact CG-CG 4.11Å
141	S	98.4	Very high	98.3	Very high	43 Å²	43	34.3 Å²	34.3	30%	0.301	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-10.3	-179.4	75.5	0	0	0	0	113.8	D139	D139-S141 VanDerWaalsContact CG-OG 3.23Å; D139-S141 PolarHBondContact O-N 3.08Å; D139-S141 VanDerWaalsContact OD1-CB 3.31Å; D139-S141 WeakPolarHBondContact OD1-CB 3.39Å; D139-S141 PolarHBondContact OD1-N 3.48Å; D139-S141 PolarHBondContact OD1-OG 3.49Å; D139-S141 PolarHBondContact OD2-OG 2.92Å; D139-S141 VanDerWaalsContact OD2-OG 3.11Å
142	L	98.5	Very high	98.3	Very high	59 Å²	59	34 Å²	34	31%	0.309	20%	0.195	S	C	.	.			trans	-56.5	154.6	171.9	-67.3	176.6	0	0	0	110.7	D107 T116 H119 D139 S149	D107-L142 HydrophobicContact CB-CD1 3.67Å; T116-L142 HydrophobicContact CG2-CB 4.49Å; T116-L142 HydrophobicContact CG2-CD1 3.82Å; H119-L142 PolarHBondContact CE1-O 3.33Å; H119-L142 PolarHBondContact NE2-O 2.92Å; D139-L142 HydrophobicContact CB-CD1 4.11Å; D139-L142 HydrophobicContact CB-CG 3.93Å; D139-L142 PolarHBondContact O-N 3.4Å; L142-S149 VanDerWaalsContact O-CA 3.26Å; L142-S149 WeakPolarHBondContact O-CA 3.5Å; L142-S149 VanDerWaalsContact O-CB 3.24Å; L142-S149 WeakPolarHBondContact O-CB 3.49Å
143	I	98.3	Very high	98.3	Very high	67 Å²	67	32.6 Å²	32.6	34%	0.344	19%	0.189	S	C	.	.			trans	-115.4	130.2	-172.3	-59.8	171.3	0	0	0	108.6	G147 C148 Q178	I143-G147 VanDerWaalsContact CG2-CA 3.45Å; I143-G147 WeakPolarHBondContact CG2-O 3.27Å; I143-C148 WeakPolarHBondContact CA-O 3.41Å; I143-Q178 HydrophobicContact CD1-CG 4Å; I143-Q178 HydrophobicContact CG2-CG 3.96Å
144	D	98.1	Very high	98.3	Very high	7 Å²	7	32.6 Å²	32.6	4%	0.037	19%	0.189	C	C	.	.			trans	-82.2	178.7	172.8	68.7	16.3	0	0	0	112.9	S115 R123 E146 G147 C148	S115-D144 WeakPolarHBondContact OG-CB 3.35Å; R123-D144 IonicContact CZ-OD2 2.9Å; R123-D144 IonicContact NE-OD2 2.74Å; R123-D144 IonicContact NH2-OD2 3.2Å; R123-D144 PolarHBondContact NH2-OD2 2.9Å; D144-E146 PolarHBondContact O-N 3.28Å; D144-E146 WeakPolarHBondContact OD1-CA 3.3Å; D144-E146 PolarHBondContact OD1-N 3.44Å; D144-G147 WeakPolarHBondContact O-CA 3.48Å; D144-G147 PolarHBondContact O-N 3.46Å; D144-G147 PolarHBondContact OD1-N 3.4Å; D144-C148 PolarHBondContact N-O 3.5Å; D144-C148 PolarHBondContact OD1-N 3.17Å
145	G	97.8	Very high	98.3	Very high	52 Å²	52	31.1 Å²	31.1	54%	0.536	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-15.1	178.8	0	0	0	0	0	114.9	L113 G147	L113-G145 WeakPolarHBondContact O-CA 3.33Å; L113-G145 PolarHBondContact O-N 2.88Å; G145-G147 VanDerWaalsContact C-N 3.26Å
146	E	97.3	Very high	98.3	Very high	82 Å²	82	26.2 Å²	26.2	38%	0.383	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	3.9	170.7	-60.1	-170.9	145.7	0	0	111.8	L113 R123 D144 C148 N179	L113-E146 HydrophobicContact CD1-CG 4.3Å; L113-E146 HydrophobicContact CD2-CG 3.95Å; R123-E146 IonicContact CZ-OE2 2.64Å; R123-E146 VanDerWaalsContact CZ-OE2 3.25Å; R123-E146 IonicContact NH1-OE2 3.06Å; R123-E146 PolarHBondContact NH1-OE2 3.21Å; R123-E146 IonicContact NH2-OE2 2.66Å; R123-E146 PolarHBondContact NH2-OE2 3.39Å; D144-E146 PolarHBondContact O-N 3.28Å; D144-E146 WeakPolarHBondContact OD1-CA 3.3Å; D144-E146 PolarHBondContact OD1-N 3.44Å; E146-C148 VanDerWaalsContact C-N 3.29Å; E146-C148 PolarHBondContact O-N 2.86Å; E146-N179 PolarHBondContact O-ND2 3.02Å
147	G	97.9	Very high	98.3	Very high	2 Å²	2	25.7 Å²	25.7	2%	0.021	16%	0.16	C	C	.	.	S	Bend	trans	80.4	7.7	-179.6	0	0	0	0	0	114	I143 D144 G145 D177 Q178	I143-G147 VanDerWaalsContact CG2-CA 3.45Å; I143-G147 WeakPolarHBondContact CG2-O 3.27Å; D144-G147 WeakPolarHBondContact O-CA 3.48Å; D144-G147 PolarHBondContact O-N 3.46Å; D144-G147 PolarHBondContact OD1-N 3.4Å; G145-G147 VanDerWaalsContact C-N 3.26Å; G147-D177 VanDerWaalsContact O-CB 3.29Å; G147-D177 WeakPolarHBondContact O-CB 3.43Å; G147-Q178 PolarHBondContact O-N 3.32Å
148	C	98.6	Very high	98.2	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.014	15%	0.146	C	C	.	.			trans	-98.2	142	-174.4	-70.1	0	0	0	0	112.6	I143 D144 E146 H152 L153	I143-C148 WeakPolarHBondContact CA-O 3.41Å; D144-C148 PolarHBondContact N-O 3.5Å; D144-C148 PolarHBondContact OD1-N 3.17Å; E146-C148 VanDerWaalsContact C-N 3.29Å; E146-C148 PolarHBondContact O-N 2.86Å; C148-H152 HydrophobicContact CB-CB 4.15Å; C148-L153 HydrophobicContact CB-CD2 3.62Å; C148-L153 HydrophobicContact CB-CG 3.98Å
149	S	98.6	Very high	98.2	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.007	15%	0.154	C	C	.	.			trans	-96.9	174	163	78.7	0	0	0	0	111.9	L142 V151 H152 L153 M175	L142-S149 VanDerWaalsContact O-CA 3.26Å; L142-S149 WeakPolarHBondContact O-CA 3.5Å; L142-S149 VanDerWaalsContact O-CB 3.24Å; L142-S149 WeakPolarHBondContact O-CB 3.49Å; S149-V151 VanDerWaalsContact C-N 3.3Å; S149-V151 PolarHBondContact O-N 3.36Å; S149-H152 PolarHBondContact N-ND1 3.49Å; S149-H152 WeakPolarHBondContact O-CB 3.32Å; S149-H152 PolarHBondContact O-N 3.49Å; S149-H152 PolarHBondContact OG-CE1 2.8Å; S149-H152 PolarHBondContact OG-ND1 2.77Å; S149-L153 WeakPolarHBondContact O-CG 3.2Å; S149-L153 PolarHBondContact O-N 3.41Å; S149-L153 VanDerWaalsContact O-N 3.1Å; S149-M175 PolarHBondContact OG-SD 3.1Å
150	C	98.8	Very high	98	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-57.1	-37.1	-173.9	-69.5	0	0	0	0	114	H119 T122 P140 H152 L153 A154 L166	H119-C150 PolarHBondContact CD2-SG 3.37Å; T122-C150 HydrophobicContact CG2-CB 4.2Å; T122-C150 VanDerWaalsContact CG2-O 3.3Å; T122-C150 WeakPolarHBondContact CG2-O 3.47Å; P140-C150 HydrophobicContact CB-CB 3.93Å; P140-C150 WeakPolarHBondContact O-CB 3.41Å; P140-C150 PolarHBondContact O-N 2.98Å; P140-C150 VanDerWaalsContact O-N 3.11Å; C150-H152 VanDerWaalsContact C-N 3.31Å; C150-H152 PolarHBondContact O-N 2.99Å; C150-L153 PolarHBondContact O-N 3.16Å; C150-A154 WeakPolarHBondContact O-CB 3.19Å; C150-A154 PolarHBondContact O-N 2.94Å; C150-L166 HydrophobicContact CB-CD1 3.72Å; C150-L166 HydrophobicContact CB-CD2 4.47Å
151	V	98.6	Very high	97.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-67	-34	-179.7	67.1	0	0	0	0	112.1	S149 A155 L166 M175 P183	S149-V151 VanDerWaalsContact C-N 3.3Å; S149-V151 PolarHBondContact O-N 3.36Å; V151-A155 WeakPolarHBondContact O-CB 3.42Å; V151-A155 PolarHBondContact O-N 3.47Å; V151-L166 HydrophobicContact CB-CD1 4.25Å; V151-M175 HydrophobicContact CG1-CB 4.49Å; V151-M175 HydrophobicContact CG1-SD 4.23Å; V151-P183 HydrophobicContact CB-CG 4.4Å; V151-P183 HydrophobicContact CG1-CG 3.93Å; V151-P183 HydrophobicContact CG2-CB 4.25Å; V151-P183 HydrophobicContact CG2-CG 3.74Å
152	H	98.8	Very high	97.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-70.1	-46.1	175.2	-51.8	99.3	0	0	0	111	C148 S149 C150 A154 A155 Q156 M175 D177 M181 W186	C148-H152 HydrophobicContact CB-CB 4.15Å; S149-H152 PolarHBondContact N-ND1 3.49Å; S149-H152 WeakPolarHBondContact O-CB 3.32Å; S149-H152 PolarHBondContact O-N 3.49Å; S149-H152 PolarHBondContact OG-CE1 2.8Å; S149-H152 PolarHBondContact OG-ND1 2.77Å; C150-H152 VanDerWaalsContact C-N 3.31Å; C150-H152 PolarHBondContact O-N 2.99Å; H152-A154 PolarHBondContact O-N 3.33Å; H152-A155 PolarHBondContact O-N 2.92Å; H152-Q156 PolarHBondContact O-N 2.96Å; H152-M175 PolarHBondContact NE2-O 3.21Å; H152-D177 PolarHBondContact NE2-N 2.84Å; H152-M181 PolarHBondContact CD2-O 2.58Å; H152-M181 PolarHBondContact NE2-O 3Å; H152-W186 AromaticContact CD2-CD1 3.94Å
153	L	98.8	Very high	97.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-58.7	-47.5	175.8	-62.5	178.5	0	0	0	111.3	H119 T122 R123 C148 S149 C150 A155 Q156 F157	H119-L153 HydrophobicContact CB-CD1 3.88Å; T122-L153 HydrophobicContact CG2-CB 3.86Å; R123-L153 HydrophobicContact CG-CB 4.44Å; R123-L153 HydrophobicContact CG-CD1 4Å; R123-L153 HydrophobicContact CG-CD2 4.26Å; R123-L153 HydrophobicContact CG-CG 4.47Å; R123-L153 VanDerWaalsContact CZ-CD2 3.46Å; R123-L153 VanDerWaalsContact NH2-CD2 3.27Å; C148-L153 HydrophobicContact CB-CD2 3.62Å; C148-L153 HydrophobicContact CB-CG 3.98Å; S149-L153 WeakPolarHBondContact O-CG 3.2Å; S149-L153 PolarHBondContact O-N 3.41Å; S149-L153 VanDerWaalsContact O-N 3.1Å; C150-L153 PolarHBondContact O-N 3.16Å; L153-A155 VanDerWaalsContact C-N 3.31Å; L153-A155 PolarHBondContact O-N 3.43Å; L153-Q156 WeakPolarHBondContact O-CG 3.41Å; L153-Q156 PolarHBondContact O-N 2.83Å; L153-F157 HydrophobicContact CD2-CE2 4.48Å; L153-F157 WeakPolarHBondContact O-CD2 3.43Å; L153-F157 PolarHBondContact O-N 3.03Å
154	A	98.5	Very high	97.4	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-62.1	-39.2	178.1	0	0	0	0	0	112	T122 C150 H152 G158 H159 I162 V163 L166	T122-A154 HydrophobicContact CG2-CB 3.89Å; C150-A154 WeakPolarHBondContact O-CB 3.19Å; C150-A154 PolarHBondContact O-N 2.94Å; H152-A154 PolarHBondContact O-N 3.33Å; A154-G158 PolarHBondContact O-N 2.81Å; A154-H159 HydrophobicContact CB-CB 4.38Å; A154-H159 PolarHBondContact O-N 3.33Å; A154-I162 HydrophobicContact CB-CB 4.05Å; A154-I162 HydrophobicContact CB-CG2 3.76Å; A154-V163 HydrophobicContact CB-CG2 3.58Å; A154-L166 HydrophobicContact CB-CD1 4.42Å
155	A	98.3	Very high	97.3	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-68.9	-46.4	177.8	0	0	0	0	0	112.6	V151 H152 L153 F157 G158 V163 P183 W186 T191	V151-A155 WeakPolarHBondContact O-CB 3.42Å; V151-A155 PolarHBondContact O-N 3.47Å; H152-A155 PolarHBondContact O-N 2.92Å; L153-A155 VanDerWaalsContact C-N 3.31Å; L153-A155 PolarHBondContact O-N 3.43Å; A155-F157 VanDerWaalsContact C-N 3.31Å; A155-F157 PolarHBondContact O-N 3.07Å; A155-G158 PolarHBondContact O-N 3.09Å; A155-V163 HydrophobicContact CB-CG2 4.36Å; A155-P183 HydrophobicContact CB-CB 3.95Å; A155-P183 WeakPolarHBondContact CB-O 3.49Å; A155-W186 HydrophobicContact CB-CB 4.38Å; A155-T191 WeakPolarHBondContact O-CG2 3.32Å
156	Q	98	Very high	97.3	Very high	10 Å²	10	15.6 Å²	15.6	5%	0.047	9%	0.087	C	C	.	.	H	α-helix	trans	-67.3	-30.4	-177.3	77.5	171.8	-7.5	0	0	113.4	H152 L153 W186 R190	H152-Q156 PolarHBondContact O-N 2.96Å; L153-Q156 WeakPolarHBondContact O-CG 3.41Å; L153-Q156 PolarHBondContact O-N 2.83Å; Q156-W186 HydrophobicContact CB-CB 4.11Å; Q156-W186 HydrophobicContact CB-CD2 4.23Å; Q156-W186 HydrophobicContact CB-CE3 3.98Å; Q156-W186 HydrophobicContact CB-CG 4.33Å; Q156-R190 HydrophobicContact CB-CB 4.27Å; Q156-R190 HydrophobicContact CB-CG 4.16Å; Q156-R190 VanDerWaalsContact O-CB 3.31Å; Q156-R190 WeakPolarHBondContact O-CB 3.29Å
157	F	97.8	Very high	97.3	Very high	83 Å²	83	12 Å²	12	36%	0.364	7%	0.07	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	2	178.6	-67.5	-63.5	0	0	0	113.4	R123 L153 A155 H159	R123-F157 HydrophobicContact CB-CD2 4.33Å; R123-F157 HydrophobicContact CB-CE2 4.1Å; R123-F157 HydrophobicContact CG-CD2 4.3Å; R123-F157 HydrophobicContact CG-CE2 3.79Å; L153-F157 HydrophobicContact CD2-CE2 4.48Å; L153-F157 WeakPolarHBondContact O-CD2 3.43Å; L153-F157 PolarHBondContact O-N 3.03Å; A155-F157 VanDerWaalsContact C-N 3.31Å; A155-F157 PolarHBondContact O-N 3.07Å; F157-H159 WeakPolarHBondContact CB-NE2 3.41Å; F157-H159 PolarHBondContact O-N 3.18Å
158	G	96.3	Very high	97.2	Very high	25 Å²	25	12.6 Å²	12.6	26%	0.258	8%	0.075	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	15.8	174.8	0	0	0	0	0	115.5	A154 A155 T160	A154-G158 PolarHBondContact O-N 2.81Å; A155-G158 PolarHBondContact O-N 3.09Å; G158-T160 PolarHBondContact O-N 3.17Å; G158-T160 PolarHBondContact O-OG1 3.39Å
159	H	96.8	Very high	97.1	Very high	45 Å²	45	17.1 Å²	17.1	21%	0.208	9%	0.094	C	C	.	.			trans	-77.2	69.4	-177.9	-61	-45.1	0	0	0	112	T122 R123 G125 A154 F157 S161 I162 V163	T122-H159 PolarHBondContact O-CD2 3.41Å; R123-H159 PolarHBondContact O-NE2 3.42Å; G125-H159 VanDerWaalsContact CA-CE1 3.42Å; G125-H159 WeakPolarHBondContact CA-CE1 3.46Å; G125-H159 WeakPolarHBondContact CA-ND1 3.19Å; G125-H159 WeakPolarHBondContact CA-NE2 3.3Å; G125-H159 PolarHBondContact N-NE2 2.94Å; A154-H159 HydrophobicContact CB-CB 4.38Å; A154-H159 PolarHBondContact O-N 3.33Å; F157-H159 WeakPolarHBondContact CB-NE2 3.41Å; F157-H159 PolarHBondContact O-N 3.18Å; H159-S161 VanDerWaalsContact C-N 3.27Å; H159-S161 PolarHBondContact O-N 2.92Å; H159-I162 HydrophobicContact CB-CB 4.18Å; H159-I162 HydrophobicContact CB-CD1 4.01Å; H159-I162 HydrophobicContact CB-CG1 4.29Å; H159-I162 PolarHBondContact O-N 2.85Å; H159-V163 PolarHBondContact O-N 2.65Å
160	T	94.6	Very high	96.9	Very high	28 Å²	28	19.9 Å²	19.9	17%	0.172	12%	0.123	C	C	.	.	H	α-helix	trans	-54.6	-38	-172.1	-58.7	0	0	0	0	113.5	G158 V163 A164 D195 L199	G158-T160 PolarHBondContact O-N 3.17Å; G158-T160 PolarHBondContact O-OG1 3.39Å; T160-V163 PolarHBondContact O-N 2.65Å; T160-A164 WeakPolarHBondContact O-CB 3.38Å; T160-A164 PolarHBondContact O-N 3.38Å; T160-D195 HydrophobicContact CG2-CB 3.84Å; T160-D195 WeakPolarHBondContact OG1-CB 3.42Å; T160-L199 HydrophobicContact CG2-CB 4.19Å; T160-L199 HydrophobicContact CG2-CD2 3.6Å; T160-L199 HydrophobicContact CG2-CG 4.47Å; T160-L199 VanDerWaalsContact O-CD2 3.26Å; T160-L199 WeakPolarHBondContact O-CD2 3.5Å
161	S	93.3	Very high	96.9	Very high	45 Å²	45	21.4 Å²	21.4	32%	0.315	13%	0.13	S	C	.	.	H	α-helix	trans	-68.6	-34.4	178.6	57.1	0	0	0	0	112.6	H159 Y165	H159-S161 VanDerWaalsContact C-N 3.27Å; H159-S161 PolarHBondContact O-N 2.92Å; S161-Y165 WeakPolarHBondContact O-CB 3.37Å; S161-Y165 PolarHBondContact O-N 2.89Å
162	I	96.7	Very high	96.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-72.8	-43.8	174.7	-62	176.4	0	0	0	110.1	T122 L127 V130 A154 H159 A164 Y165 L166	T122-I162 HydrophobicContact CG2-CG2 4.14Å; L127-I162 HydrophobicContact CB-CG1 4.13Å; L127-I162 HydrophobicContact CD1-CG1 4.02Å; V130-I162 HydrophobicContact CG1-CG2 4.33Å; V130-I162 HydrophobicContact CG2-CD1 4.02Å; V130-I162 HydrophobicContact CG2-CG1 4.47Å; V130-I162 HydrophobicContact CG2-CG2 4.31Å; A154-I162 HydrophobicContact CB-CB 4.05Å; A154-I162 HydrophobicContact CB-CG2 3.76Å; H159-I162 HydrophobicContact CB-CB 4.18Å; H159-I162 HydrophobicContact CB-CD1 4.01Å; H159-I162 HydrophobicContact CB-CG1 4.29Å; H159-I162 PolarHBondContact O-N 2.85Å; I162-A164 VanDerWaalsContact C-N 3.29Å; I162-A164 PolarHBondContact O-N 3.41Å; I162-Y165 PolarHBondContact O-N 3.38Å; I162-Y165 VanDerWaalsContact O-N 3.13Å; I162-L166 HydrophobicContact CG2-CD1 3.73Å; I162-L166 HydrophobicContact CG2-CG 3.99Å; I162-L166 WeakPolarHBondContact O-CB 3.18Å; I162-L166 VanDerWaalsContact O-CG 3.31Å; I162-L166 WeakPolarHBondContact O-CG 3.32Å; I162-L166 PolarHBondContact O-N 3.32Å
163	V	97	Very high	96.7	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-53.3	-49.2	173.1	174.1	0	0	0	0	110.4	A154 A155 H159 T160 Y165 L166 I167 P196 L199 L200	A154-V163 HydrophobicContact CB-CG2 3.58Å; A155-V163 HydrophobicContact CB-CG2 4.36Å; H159-V163 PolarHBondContact O-N 2.65Å; T160-V163 PolarHBondContact O-N 2.65Å; V163-Y165 PolarHBondContact O-N 3.33Å; V163-L166 PolarHBondContact O-N 3.06Å; V163-I167 HydrophobicContact CG1-CD1 3.62Å; V163-I167 WeakPolarHBondContact O-CD1 3.41Å; V163-I167 WeakPolarHBondContact O-CG1 3.41Å; V163-I167 PolarHBondContact O-N 2.88Å; V163-I167 VanDerWaalsContact O-N 3.13Å; V163-P196 HydrophobicContact CG2-CB 4.26Å; V163-L199 HydrophobicContact CB-CD2 4.18Å; V163-L199 HydrophobicContact CG1-CD2 4Å; V163-L200 HydrophobicContact CG1-CD2 3.76Å; V163-L200 HydrophobicContact CG1-CG 4.24Å
164	A	94.8	Very high	96.7	Very high	4 Å²	4	28.4 Å²	28.4	3%	0.033	17%	0.168	C	C	.	.	H	α-helix	trans	-58	-47.6	177.4	0	0	0	0	0	112	T160 I162 A168 L199 I414	T160-A164 WeakPolarHBondContact O-CB 3.38Å; T160-A164 PolarHBondContact O-N 3.38Å; I162-A164 VanDerWaalsContact C-N 3.29Å; I162-A164 PolarHBondContact O-N 3.41Å; A164-A168 VanDerWaalsContact O-CB 3.23Å; A164-A168 WeakPolarHBondContact O-CB 3.37Å; A164-A168 PolarHBondContact O-N 3.41Å; A164-L199 HydrophobicContact CB-CD1 4.48Å; A164-L199 HydrophobicContact CB-CD2 3.74Å; A164-I414 HydrophobicContact CB-CD1 4.41Å; A164-I414 HydrophobicContact CB-CG2 3.93Å
165	Y	96.3	Very high	96.7	Very high	1 Å²	1	30.5 Å²	30.5	0%	0.004	18%	0.178	C	C	.	.	H	α-helix	trans	-63.1	-47.7	-179	-177.7	-111.2	0	0	0	112.1	L127 V130 V131 M134 S161 I162 V163 I167 A168 K169 V415 A418 E419	L127-Y165 HydrophobicContact CD1-CD1 4.44Å; L127-Y165 HydrophobicContact CD1-CG 4.19Å; V130-Y165 HydrophobicContact CG1-CD1 4.04Å; V130-Y165 HydrophobicContact CG1-CE1 4.29Å; V131-Y165 HydrophobicContact CG2-CD1 4.24Å; V131-Y165 HydrophobicContact CG2-CD2 4.43Å; V131-Y165 HydrophobicContact CG2-CE1 3.78Å; V131-Y165 HydrophobicContact CG2-CE2 4Å; M134-Y165 HydrophobicContact CE-CE1 4.4Å; M134-Y165 HydrophobicContact SD-CD1 4.2Å; M134-Y165 HydrophobicContact SD-CE1 3.63Å; S161-Y165 WeakPolarHBondContact O-CB 3.37Å; S161-Y165 PolarHBondContact O-N 2.89Å; I162-Y165 PolarHBondContact O-N 3.38Å; I162-Y165 VanDerWaalsContact O-N 3.13Å; V163-Y165 PolarHBondContact O-N 3.33Å; Y165-I167 PolarHBondContact O-N 3.47Å; Y165-A168 CarbonylContact O-C 3.1Å; Y165-A168 PolarHBondContact O-N 3.36Å; Y165-K169 HydrophobicContact CD1-CG 4.23Å; Y165-K169 HydrophobicContact CD2-CG 4.19Å; Y165-K169 HydrophobicContact CE1-CD 4.5Å; Y165-K169 HydrophobicContact CE1-CG 3.86Å; Y165-K169 HydrophobicContact CE2-CD 3.92Å; Y165-K169 HydrophobicContact CE2-CG 3.82Å; Y165-K169 HydrophobicContact CG-CG 4.4Å; Y165-K169 VanDerWaalsContact O-CG 3.3Å; Y165-K169 WeakPolarHBondContact O-CG 3.44Å; Y165-K169 PolarHBondContact O-N 3.26Å; Y165-V415 HydrophobicContact CE2-CB 4.48Å; Y165-V415 HydrophobicContact CE2-CG1 4.27Å; Y165-V415 HydrophobicContact CE2-CG2 4.39Å; Y165-A418 HydrophobicContact CD2-CB 3.3Å; Y165-A418 HydrophobicContact CE2-CB 3.76Å; Y165-A418 HydrophobicContact CG-CB 4.02Å; Y165-E419 HydrophobicContact CE2-CG 3.95Å; Y165-E419 PolarHBondContact OH-OE1 2.99Å
166	L	97.9	Very high	96.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-60.9	-46.2	-179	-69.9	177.4	0	0	0	112.1	V130 M134 P140 C150 V151 A154 I162 V163 A168 K169 G170 Q171	V130-L166 HydrophobicContact CG1-CD2 4.38Å; M134-L166 HydrophobicContact CE-CD2 4.41Å; M134-L166 HydrophobicContact SD-CD2 3.77Å; P140-L166 HydrophobicContact CB-CD2 3.71Å; P140-L166 HydrophobicContact CG-CD2 4.3Å; C150-L166 HydrophobicContact CB-CD1 3.72Å; C150-L166 HydrophobicContact CB-CD2 4.47Å; V151-L166 HydrophobicContact CB-CD1 4.25Å; A154-L166 HydrophobicContact CB-CD1 4.42Å; I162-L166 HydrophobicContact CG2-CD1 3.73Å; I162-L166 HydrophobicContact CG2-CG 3.99Å; I162-L166 WeakPolarHBondContact O-CB 3.18Å; I162-L166 VanDerWaalsContact O-CG 3.31Å; I162-L166 WeakPolarHBondContact O-CG 3.32Å; I162-L166 PolarHBondContact O-N 3.32Å; V163-L166 PolarHBondContact O-N 3.06Å; L166-A168 VanDerWaalsContact C-N 3.32Å; L166-A168 PolarHBondContact O-N 3.48Å; L166-K169 CarbonylContact O-C 3.42Å; L166-K169 PolarHBondContact O-N 3.14Å; L166-G170 PolarHBondContact O-N 3.3Å; L166-Q171 HydrophobicContact CB-CB 4.32Å; L166-Q171 HydrophobicContact CB-CG 4.06Å; L166-Q171 WeakPolarHBondContact O-CB 3.24Å; L166-Q171 PolarHBondContact O-N 3.3Å
167	I	96.8	Very high	96.7	Very high	6 Å²	6	34.2 Å²	34.2	3%	0.031	20%	0.197	C	C	.	.	H	α-helix	trans	-63.5	-40.5	175.8	-64.5	161.7	0	0	0	110.7	V163 Y165 K169 G170 V173 L200 F203	V163-I167 HydrophobicContact CG1-CD1 3.62Å; V163-I167 WeakPolarHBondContact O-CD1 3.41Å; V163-I167 WeakPolarHBondContact O-CG1 3.41Å; V163-I167 PolarHBondContact O-N 2.88Å; V163-I167 VanDerWaalsContact O-N 3.13Å; Y165-I167 PolarHBondContact O-N 3.47Å; I167-K169 VanDerWaalsContact C-N 3.26Å; I167-K169 PolarHBondContact O-N 3.44Å; I167-G170 PolarHBondContact O-N 3.11Å; I167-V173 HydrophobicContact CD1-CB 4.5Å; I167-V173 HydrophobicContact CD1-CG2 3.71Å; I167-V173 HydrophobicContact CG1-CG2 4.23Å; I167-L200 HydrophobicContact CD1-CD2 3.9Å; I167-F203 HydrophobicContact CB-CE2 4.32Å; I167-F203 HydrophobicContact CB-CZ 4.39Å; I167-F203 HydrophobicContact CD1-CD2 3.71Å; I167-F203 HydrophobicContact CD1-CE2 3.98Å; I167-F203 HydrophobicContact CD1-CG 4.36Å; I167-F203 HydrophobicContact CG2-CD1 3.79Å; I167-F203 HydrophobicContact CG2-CD2 4.1Å; I167-F203 HydrophobicContact CG2-CE1 3.84Å; I167-F203 HydrophobicContact CG2-CE2 4.13Å; I167-F203 HydrophobicContact CG2-CG 3.92Å; I167-F203 HydrophobicContact CG2-CZ 3.99Å
168	A	95.3	Very high	96.7	Very high	14 Å²	14	35.6 Å²	35.6	12%	0.116	20%	0.204	C	C	.	.	H	α-helix	trans	-66.6	-28.1	177.1	0	0	0	0	0	112.9	A164 Y165 L166 G170 K411 I414 V415	A164-A168 VanDerWaalsContact O-CB 3.23Å; A164-A168 WeakPolarHBondContact O-CB 3.37Å; A164-A168 PolarHBondContact O-N 3.41Å; Y165-A168 CarbonylContact O-C 3.1Å; Y165-A168 PolarHBondContact O-N 3.36Å; L166-A168 VanDerWaalsContact C-N 3.32Å; L166-A168 PolarHBondContact O-N 3.48Å; A168-G170 VanDerWaalsContact C-N 3.28Å; A168-K411 HydrophobicContact CB-CB 4.1Å; A168-K411 HydrophobicContact CB-CG 4.33Å; A168-I414 HydrophobicContact CB-CB 3.94Å; A168-I414 HydrophobicContact CB-CD1 4.42Å; A168-I414 HydrophobicContact CB-CG2 3.85Å; A168-V415 HydrophobicContact CB-CG2 3.76Å
169	K	96.8	Very high	96.7	Very high	98 Å²	98	37.4 Å²	37.4	43%	0.426	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	2.6	172	-65	-66.3	-70.2	-162.8	0	113.8	M134 Y165 L166 I167 V415 E419	M134-K169 HydrophobicContact CE-CB 3.89Å; M134-K169 HydrophobicContact CE-CG 4.02Å; Y165-K169 HydrophobicContact CD1-CG 4.23Å; Y165-K169 HydrophobicContact CD2-CG 4.19Å; Y165-K169 HydrophobicContact CE1-CD 4.5Å; Y165-K169 HydrophobicContact CE1-CG 3.86Å; Y165-K169 HydrophobicContact CE2-CD 3.92Å; Y165-K169 HydrophobicContact CE2-CG 3.82Å; Y165-K169 HydrophobicContact CG-CG 4.4Å; Y165-K169 VanDerWaalsContact O-CG 3.3Å; Y165-K169 WeakPolarHBondContact O-CG 3.44Å; Y165-K169 PolarHBondContact O-N 3.26Å; L166-K169 CarbonylContact O-C 3.42Å; L166-K169 PolarHBondContact O-N 3.14Å; I167-K169 VanDerWaalsContact C-N 3.26Å; I167-K169 PolarHBondContact O-N 3.44Å; K169-V415 HydrophobicContact CD-CG1 4.06Å; K169-V415 HydrophobicContact CD-CG2 3.75Å; K169-V415 HydrophobicContact CG-CG2 4.26Å; K169-E419 IonicContact NZ-OE1 3.26Å; K169-E419 PolarHBondContact NZ-OE1 2.88Å
170	G	96.1	Very high	96.7	Very high	59 Å²	59	35.2 Å²	35.2	61%	0.608	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	102.3	8.9	170.3	0	0	0	0	0	115.6	L166 I167 A168	L166-G170 PolarHBondContact O-N 3.3Å; I167-G170 PolarHBondContact O-N 3.11Å; A168-G170 VanDerWaalsContact C-N 3.28Å
171	Q	97.7	Very high	96.9	Very high	31 Å²	31	34.3 Å²	34.3	15%	0.145	19%	0.192	C	C	.	.			trans	-62.2	137.5	167.2	-70.5	-70.8	-77.1	0	0	110.1	P140 L166 V173	P140-Q171 HydrophobicContact CB-CG 4.43Å; P140-Q171 HydrophobicContact CG-CG 4.11Å; L166-Q171 HydrophobicContact CB-CB 4.32Å; L166-Q171 HydrophobicContact CB-CG 4.06Å; L166-Q171 WeakPolarHBondContact O-CB 3.24Å; L166-Q171 PolarHBondContact O-N 3.3Å; Q171-V173 PolarHBondContact O-N 2.91Å
172	D	97.5	Very high	97.2	Very high	99 Å²	99	32.3 Å²	32.3	53%	0.529	18%	0.178	S	C	.	.			trans	-67.3	131	175.3	-177.5	9.3	0	0	0	109.8	D174 M175	D172-D174 VanDerWaalsContact C-N 3.29Å; D172-D174 PolarHBondContact OD1-N 3.45Å; D172-M175 HydrophobicContact CB-CB 4.16Å; D172-M175 WeakPolarHBondContact O-CB 3.35Å; D172-M175 PolarHBondContact O-N 2.88Å
173	V	96.5	Very high	97.3	Very high	20 Å²	20	32.3 Å²	32.3	12%	0.121	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-24.2	-178	74.6	0	0	0	0	112	I167 Q171 L200 F203 V205	I167-V173 HydrophobicContact CD1-CB 4.5Å; I167-V173 HydrophobicContact CD1-CG2 3.71Å; I167-V173 HydrophobicContact CG1-CG2 4.23Å; Q171-V173 PolarHBondContact O-N 2.91Å; V173-L200 HydrophobicContact CG2-CD2 3.75Å; V173-F203 HydrophobicContact CG2-CB 3.98Å; V173-V205 HydrophobicContact CB-CG1 4Å; V173-V205 HydrophobicContact CG1-CG1 3.74Å; V173-V205 HydrophobicContact CG2-CG1 3.21Å
174	D	98.2	Very high	97.4	Very high	29 Å²	29	32.4 Å²	32.4	16%	0.155	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	14.5	176.7	-73	-32.8	0	0	0	112.2	D172 M176 V205 S206 L209	D172-D174 VanDerWaalsContact C-N 3.29Å; D172-D174 PolarHBondContact OD1-N 3.45Å; D174-M176 PolarHBondContact O-N 3.13Å; D174-V205 WeakPolarHBondContact OD1-CB 3.45Å; D174-S206 PolarHBondContact OD1-N 2.94Å; D174-S206 WeakPolarHBondContact OD2-CB 3.44Å; D174-S206 PolarHBondContact OD2-N 3.49Å; D174-S206 PolarHBondContact OD2-OG 2.91Å; D174-L209 HydrophobicContact CB-CD1 4.09Å
175	M	97.8	Very high	97.6	Very high	43 Å²	43	32.3 Å²	32.3	21%	0.212	18%	0.177	C	C	.	.			trans	-50.8	134.5	175.3	-172	179.4	-179.6	0	0	109.8	S149 V151 H152 D172 T182 P183	S149-M175 PolarHBondContact OG-SD 3.1Å; V151-M175 HydrophobicContact CG1-CB 4.49Å; V151-M175 HydrophobicContact CG1-SD 4.23Å; H152-M175 PolarHBondContact NE2-O 3.21Å; D172-M175 HydrophobicContact CB-CB 4.16Å; D172-M175 WeakPolarHBondContact O-CB 3.35Å; D172-M175 PolarHBondContact O-N 2.88Å; M175-T182 WeakPolarHBondContact O-CA 3.31Å; M175-P183 WeakPolarHBondContact O-CD 3.31Å
176	M	98.3	Very high	97.7	Very high	78 Å²	78	33.7 Å²	33.7	38%	0.384	18%	0.183	S	C	.	.			trans	-99	136.3	170.9	-72.1	-176.6	172.5	0	0	109.7	D174 T182	D174-M176 PolarHBondContact O-N 3.13Å; M176-T182 HydrophobicContact CE-CG2 4.14Å; M176-T182 HydrophobicContact CG-CG2 3.9Å
177	D	98.4	Very high	97.7	Very high	11 Å²	11	33.7 Å²	33.7	6%	0.059	18%	0.183	C	C	.	.			trans	-76.3	-178.5	169.1	78.3	-6.6	0	0	0	111.2	G147 H152 N179 G180 M181 W186	G147-D177 VanDerWaalsContact O-CB 3.29Å; G147-D177 WeakPolarHBondContact O-CB 3.43Å; H152-D177 PolarHBondContact NE2-N 2.84Å; D177-N179 PolarHBondContact O-N 3.15Å; D177-N179 WeakPolarHBondContact OD1-CA 3.46Å; D177-N179 VanDerWaalsContact OD1-CB 3.25Å; D177-N179 WeakPolarHBondContact OD1-CB 3.44Å; D177-N179 PolarHBondContact OD1-N 3.49Å; D177-N179 PolarHBondContact OD2-ND2 2.89Å; D177-N179 VanDerWaalsContact OD2-ND2 3.09Å; D177-G180 PolarHBondContact O-N 3.04Å; D177-G180 PolarHBondContact OD1-N 2.88Å; D177-M181 PolarHBondContact N-O 3.05Å; D177-M181 WeakPolarHBondContact OD1-CB 3.45Å; D177-M181 PolarHBondContact OD1-N 3.12Å; D177-W186 PolarHBondContact OD2-NE1 3Å
178	Q	98	Very high	97.8	Very high	111 Å²	111	33.4 Å²	33.4	52%	0.519	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-21.2	177.2	-63.7	-177.3	-7.3	0	0	113.1	I143 G147 G180 Y213	I143-Q178 HydrophobicContact CD1-CG 4Å; I143-Q178 HydrophobicContact CG2-CG 3.96Å; G147-Q178 PolarHBondContact O-N 3.32Å; Q178-G180 PolarHBondContact O-N 3.34Å; Q178-Y213 WeakPolarHBondContact O-CE2 3.45Å; Q178-Y213 PolarHBondContact O-OH 2.87Å
179	N	96.2	Very high	97.9	Very high	63 Å²	63	37 Å²	37	34%	0.337	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-0.1	171.9	-49.4	-58	0	0	0	112	E146 D177 M181 Y213	E146-N179 PolarHBondContact O-ND2 3.02Å; D177-N179 PolarHBondContact O-N 3.15Å; D177-N179 WeakPolarHBondContact OD1-CA 3.46Å; D177-N179 VanDerWaalsContact OD1-CB 3.25Å; D177-N179 WeakPolarHBondContact OD1-CB 3.44Å; D177-N179 PolarHBondContact OD1-N 3.49Å; D177-N179 PolarHBondContact OD2-ND2 2.89Å; D177-N179 VanDerWaalsContact OD2-ND2 3.09Å; N179-M181 HydrophobicContact CB-CG 4.13Å; N179-M181 PolarHBondContact O-N 3.18Å; N179-Y213 WeakPolarHBondContact O-CD2 3.32Å; N179-Y213 VanDerWaalsContact O-CE2 3.25Å; N179-Y213 WeakPolarHBondContact O-CE2 3.24Å
180	G	97.6	Very high	98	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	71.7	15	-179.5	0	0	0	0	0	114	D177 Q178 D211 K212	D177-G180 PolarHBondContact O-N 3.04Å; D177-G180 PolarHBondContact OD1-N 2.88Å; Q178-G180 PolarHBondContact O-N 3.34Å; G180-D211 WeakPolarHBondContact O-CA 3.36Å; G180-D211 WeakPolarHBondContact O-CB 3.26Å; G180-K212 PolarHBondContact O-N 3.24Å
181	M	98.5	Very high	98	Very high	9 Å²	9	35.4 Å²	35.4	4%	0.044	17%	0.166	C	C	.	.			trans	-96.2	135.4	-176.5	-66.6	-71.9	-78.7	0	0	110.1	H152 D177 N179 M185 W186 D211 W221	H152-M181 PolarHBondContact CD2-O 2.58Å; H152-M181 PolarHBondContact NE2-O 3Å; D177-M181 PolarHBondContact N-O 3.05Å; D177-M181 WeakPolarHBondContact OD1-CB 3.45Å; D177-M181 PolarHBondContact OD1-N 3.12Å; N179-M181 HydrophobicContact CB-CG 4.13Å; N179-M181 PolarHBondContact O-N 3.18Å; M181-M185 HydrophobicContact CE-CB 3.57Å; M181-M185 HydrophobicContact SD-CB 4.01Å; M181-M185 HydrophobicContact SD-SD 4.06Å; M181-W186 HydrophobicContact CB-CG 4.43Å; M181-W186 HydrophobicContact CB-CZ2 4.43Å; M181-W186 HydrophobicContact CG-CZ2 4.38Å; M181-D211 HydrophobicContact SD-CB 3.84Å; M181-W221 HydrophobicContact CE-CD2 3.86Å; M181-W221 HydrophobicContact CE-CE3 4.45Å; M181-W221 HydrophobicContact CE-CG 4.13Å; M181-W221 HydrophobicContact CE-CZ2 4.04Å; M181-W221 HydrophobicContact SD-CD2 4.37Å; M181-W221 VanDerWaalsContact SD-CE2 3.51Å; M181-W221 HydrophobicContact SD-CH2 4.48Å; M181-W221 HydrophobicContact SD-CZ2 3.59Å; M181-W221 VanDerWaalsContact SD-CZ2 3.59Å; M181-W221 PolarHBondContact SD-NE1 3.42Å; M181-W221 VanDerWaalsContact SD-NE1 3.44Å
182	T	98.7	Very high	97.9	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.018	18%	0.184	C	C	.	.			trans	-87.6	163.1	171.6	70.3	0	0	0	0	111.2	M175 M176 L184 M185 W186 L209	M175-T182 WeakPolarHBondContact O-CA 3.31Å; M176-T182 HydrophobicContact CE-CG2 4.14Å; M176-T182 HydrophobicContact CG-CG2 3.9Å; T182-L184 PolarHBondContact O-N 3.22Å; T182-M185 HydrophobicContact CG2-CE 4.12Å; T182-M185 HydrophobicContact CG2-SD 4.22Å; T182-M185 PolarHBondContact N-SD 3.3Å; T182-M185 VanDerWaalsContact N-SD 3.43Å; T182-M185 PolarHBondContact O-N 3.05Å; T182-M185 WeakPolarHBondContact OG1-CG 3.4Å; T182-M185 PolarHBondContact OG1-N 2.66Å; T182-W186 PolarHBondContact O-N 3.48Å; T182-L209 HydrophobicContact CG2-CD1 4.4Å
183	P	98.7	Very high	97.7	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-51.8	-37.7	171.9	-30.3	36.2	0	0	0	113.4	V151 A155 M175 W186 A187 L200	V151-P183 HydrophobicContact CB-CG 4.4Å; V151-P183 HydrophobicContact CG1-CG 3.93Å; V151-P183 HydrophobicContact CG2-CB 4.25Å; V151-P183 HydrophobicContact CG2-CG 3.74Å; A155-P183 HydrophobicContact CB-CB 3.95Å; A155-P183 WeakPolarHBondContact CB-O 3.49Å; M175-P183 WeakPolarHBondContact O-CD 3.31Å; P183-W186 PolarHBondContact O-N 3.04Å; P183-A187 WeakPolarHBondContact O-CB 3.34Å; P183-A187 PolarHBondContact O-N 3.06Å; P183-L200 HydrophobicContact CB-CD1 4.11Å; P183-L200 HydrophobicContact CB-CD2 4.02Å
184	L	98.8	Very high	97.6	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-65.9	-39.2	178	-174.7	68.3	0	0	0	112	T182 A188 T197 L200 L201 V205 A218 L234	T182-L184 PolarHBondContact O-N 3.22Å; L184-A188 VanDerWaalsContact O-CB 3.31Å; L184-A188 WeakPolarHBondContact O-CB 3.36Å; L184-A188 PolarHBondContact O-N 3.05Å; L184-T197 HydrophobicContact CD1-CG2 4.07Å; L184-L200 HydrophobicContact CB-CD1 4.42Å; L184-L200 HydrophobicContact CD1-CB 4.14Å; L184-L200 HydrophobicContact CD1-CD1 4.37Å; L184-L201 HydrophobicContact CD1-CD2 4.27Å; L184-L201 HydrophobicContact CD1-CG 4.43Å; L184-L201 HydrophobicContact CD2-CD2 4.47Å; L184-V205 HydrophobicContact CD1-CG2 4.32Å; L184-V205 HydrophobicContact CD2-CB 4.49Å; L184-V205 HydrophobicContact CD2-CG2 3.78Å; L184-V205 HydrophobicContact CG-CG2 4.46Å; L184-A218 HydrophobicContact CD2-CB 3.79Å; L184-A218 HydrophobicContact CG-CB 3.75Å; L184-L234 HydrophobicContact CD1-CD2 4.15Å; L184-L234 HydrophobicContact CD2-CD2 4.08Å; L184-L234 HydrophobicContact CG-CD2 4.32Å
185	M	98.8	Very high	97.4	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.01	19%	0.191	C	C	.	.	H	α-helix	trans	-67.8	-43.1	177.1	-63.4	167	-177	0	0	111.3	M181 T182 A188 Y189 L209 D211 A218	M181-M185 HydrophobicContact CE-CB 3.57Å; M181-M185 HydrophobicContact SD-CB 4.01Å; M181-M185 HydrophobicContact SD-SD 4.06Å; T182-M185 HydrophobicContact CG2-CE 4.12Å; T182-M185 HydrophobicContact CG2-SD 4.22Å; T182-M185 PolarHBondContact N-SD 3.3Å; T182-M185 VanDerWaalsContact N-SD 3.43Å; T182-M185 PolarHBondContact O-N 3.05Å; T182-M185 WeakPolarHBondContact OG1-CG 3.4Å; T182-M185 PolarHBondContact OG1-N 2.66Å; M185-A188 PolarHBondContact O-N 3.47Å; M185-Y189 WeakPolarHBondContact O-CB 3.49Å; M185-Y189 PolarHBondContact O-N 3.31Å; M185-L209 HydrophobicContact CE-CB 4.11Å; M185-L209 WeakPolarHBondContact CE-O 3.38Å; M185-D211 HydrophobicContact CE-CB 4.34Å; M185-D211 VanDerWaalsContact CE-N 3.28Å; M185-D211 HydrophobicContact SD-CB 3.8Å; M185-A218 HydrophobicContact CG-CB 4.3Å
186	W	98.7	Very high	97.3	Very high	31 Å²	31	37.4 Å²	37.4	12%	0.117	18%	0.18	C	C	.	.	H	α-helix	trans	-60.3	-45.5	174.2	-84	119.8	0	0	0	112.4	H152 A155 Q156 D177 M181 T182 P183 A188 Y189 R190	H152-W186 AromaticContact CD2-CD1 3.94Å; A155-W186 HydrophobicContact CB-CB 4.38Å; Q156-W186 HydrophobicContact CB-CB 4.11Å; Q156-W186 HydrophobicContact CB-CD2 4.23Å; Q156-W186 HydrophobicContact CB-CE3 3.98Å; Q156-W186 HydrophobicContact CB-CG 4.33Å; D177-W186 PolarHBondContact OD2-NE1 3Å; M181-W186 HydrophobicContact CB-CG 4.43Å; M181-W186 HydrophobicContact CB-CZ2 4.43Å; M181-W186 HydrophobicContact CG-CZ2 4.38Å; T182-W186 PolarHBondContact O-N 3.48Å; P183-W186 PolarHBondContact O-N 3.04Å; W186-A188 PolarHBondContact O-N 3.46Å; W186-Y189 HydrophobicContact CE3-CD1 4.37Å; W186-Y189 HydrophobicContact CZ3-CD1 4.12Å; W186-Y189 PolarHBondContact O-N 3.34Å; W186-R190 HydrophobicContact CE3-CG 3.82Å; W186-R190 HydrophobicContact CZ3-CG 4.14Å; W186-R190 WeakPolarHBondContact O-CB 3.36Å; W186-R190 PolarHBondContact O-N 2.89Å
187	A	98.4	Very high	97.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60.8	-45	175	0	0	0	0	0	111.5	P183 Y189 T191 P196 L200	P183-A187 WeakPolarHBondContact O-CB 3.34Å; P183-A187 PolarHBondContact O-N 3.06Å; A187-Y189 VanDerWaalsContact C-N 3.32Å; A187-Y189 PolarHBondContact O-N 2.94Å; A187-T191 VanDerWaalsContact C-OG1 3.3Å; A187-T191 WeakPolarHBondContact CA-OG1 3.42Å; A187-T191 WeakPolarHBondContact O-CA 3.34Å; A187-T191 WeakPolarHBondContact O-CB 3.23Å; A187-T191 PolarHBondContact O-N 3.13Å; A187-T191 PolarHBondContact O-OG1 3.36Å; A187-P196 HydrophobicContact CB-CG 4Å; A187-L200 HydrophobicContact CB-CD1 4.09Å
188	A	98.5	Very high	97.2	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-61.7	-38.9	177.7	0	0	0	0	0	113.2	L184 M185 W186 A218 W221 A222 N227 V230	L184-A188 VanDerWaalsContact O-CB 3.31Å; L184-A188 WeakPolarHBondContact O-CB 3.36Å; L184-A188 PolarHBondContact O-N 3.05Å; M185-A188 PolarHBondContact O-N 3.47Å; W186-A188 PolarHBondContact O-N 3.46Å; A188-A218 HydrophobicContact CB-CB 4.24Å; A188-A218 VanDerWaalsContact CB-O 3.32Å; A188-A218 WeakPolarHBondContact CB-O 3.46Å; A188-W221 HydrophobicContact CB-CB 4.37Å; A188-A222 HydrophobicContact CB-CB 4.11Å; A188-N227 PolarHBondContact O-ND2 3.02Å; A188-V230 HydrophobicContact CB-CG1 3.91Å
189	Y	98.4	Very high	97	Very high	88 Å²	88	29.8 Å²	29.8	35%	0.345	14%	0.142	S	C	.	.	H	α-helix	trans	-77.4	-40.3	-178.7	-174.5	-129.9	0	0	0	113.2	M185 W186 A187 W221 A225	M185-Y189 WeakPolarHBondContact O-CB 3.49Å; M185-Y189 PolarHBondContact O-N 3.31Å; W186-Y189 HydrophobicContact CE3-CD1 4.37Å; W186-Y189 HydrophobicContact CZ3-CD1 4.12Å; W186-Y189 PolarHBondContact O-N 3.34Å; A187-Y189 VanDerWaalsContact C-N 3.32Å; A187-Y189 PolarHBondContact O-N 2.94Å; Y189-W221 AromaticContact CD2-CE3 3.92Å; Y189-W221 HydrophobicContact CD2-CE3 3.92Å; Y189-W221 HydrophobicContact CE2-CE3 4.34Å; Y189-W221 HydrophobicContact CG-CE3 4.22Å; Y189-A225 HydrophobicContact CD2-CB 4.03Å; Y189-A225 VanDerWaalsContact O-CB 3.31Å; Y189-A225 WeakPolarHBondContact O-CB 3.48Å
190	R	97.9	Very high	97.1	Very high	117 Å²	117	26.8 Å²	26.8	44%	0.442	13%	0.126	S	C	.	.	H	α-helix	trans	-111	-22.1	-166.6	-57.3	-65	-67.7	-82.1	6.2	115.1	Q156 W186	Q156-R190 HydrophobicContact CB-CB 4.27Å; Q156-R190 HydrophobicContact CB-CG 4.16Å; Q156-R190 VanDerWaalsContact O-CB 3.31Å; Q156-R190 WeakPolarHBondContact O-CB 3.29Å; W186-R190 HydrophobicContact CE3-CG 3.82Å; W186-R190 HydrophobicContact CZ3-CG 4.14Å; W186-R190 WeakPolarHBondContact O-CB 3.36Å; W186-R190 PolarHBondContact O-N 2.89Å
191	T	96.4	Very high	97	Very high	8 Å²	8	28.4 Å²	28.4	5%	0.049	13%	0.134	C	C	.	.			trans	-110.5	101	-174.5	66.2	0	0	0	0	112	A155 A187 S193 N227	A155-T191 WeakPolarHBondContact O-CG2 3.32Å; A187-T191 VanDerWaalsContact C-OG1 3.3Å; A187-T191 WeakPolarHBondContact CA-OG1 3.42Å; A187-T191 WeakPolarHBondContact O-CA 3.34Å; A187-T191 WeakPolarHBondContact O-CB 3.23Å; A187-T191 PolarHBondContact O-N 3.13Å; A187-T191 PolarHBondContact O-OG1 3.36Å; T191-S193 PolarHBondContact O-N 3.36Å; T191-N227 PolarHBondContact O-ND2 3.24Å
192	H	95.8	Very high	96.7	Very high	111 Å²	111	29.9 Å²	29.9	51%	0.514	14%	0.144	S	C	.	.			trans	-79.6	41.6	177.6	-59.9	83	0	0	0	113.2	A225	H192-A225 PolarHBondContact NE2-O 3.31Å; H192-A225 VanDerWaalsContact NE2-O 3.14Å
193	S	94.3	Very high	96.4	Very high	53 Å²	53	30.7 Å²	30.7	37%	0.371	15%	0.147	S	C	.	.	S	Bend	trans	-134.1	166.5	-176.3	49.1	0	0	0	0	111.7	T191 D195	T191-S193 PolarHBondContact O-N 3.36Å; S193-D195 WeakPolarHBondContact CB-O 3.29Å; S193-D195 PolarHBondContact OG-O 3.38Å
194	V	94	Very high	96.1	Very high	65 Å²	65	37.5 Å²	37.5	39%	0.394	18%	0.184	S	C	.	.	S	Bend	trans	-65.8	-44.1	179.3	171.5	0	0	0	0	111.5	R198 T229 L233	V194-R198 HydrophobicContact CG1-CB 3.76Å; V194-R198 HydrophobicContact CG1-CG 4.27Å; V194-R198 VanDerWaalsContact O-CB 3.31Å; V194-R198 WeakPolarHBondContact O-CB 3.19Å; V194-R198 PolarHBondContact O-N 3.04Å; V194-T229 HydrophobicContact CG2-CG2 3.85Å; V194-L233 HydrophobicContact CB-CD1 4.42Å; V194-L233 HydrophobicContact CG1-CD1 4.11Å; V194-L233 WeakPolarHBondContact O-CD1 3.27Å
195	D	93.9	Very high	96	Very high	34 Å²	34	37.9 Å²	37.9	18%	0.182	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.7	145.8	174.2	-74.6	-50	0	0	0	109.3	T160 S193 R198 L199	T160-D195 HydrophobicContact CG2-CB 3.84Å; T160-D195 WeakPolarHBondContact OG1-CB 3.42Å; S193-D195 WeakPolarHBondContact CB-O 3.29Å; S193-D195 PolarHBondContact OG-O 3.38Å; D195-R198 IonicContact OD1-CZ 3.24Å; D195-R198 IonicContact OD1-NE 3.9Å; D195-R198 PolarHBondContact OD1-NE 3.47Å; D195-R198 IonicContact OD1-NH2 3.77Å; D195-R198 PolarHBondContact OD1-NH2 2.88Å; D195-R198 IonicContact OD2-CZ 2.8Å; D195-R198 IonicContact OD2-NE 2.74Å; D195-R198 IonicContact OD2-NH2 2.9Å; D195-R198 PolarHBondContact OD2-NH2 3.36Å; D195-L199 PolarHBondContact OD1-N 3Å
196	P	95.9	Very high	96	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	cis	-86.3	-3.3	11.3	32.4	-34.9	0	0	0	115.5	V163 A187 R198 L199 L200	V163-P196 HydrophobicContact CG2-CB 4.26Å; A187-P196 HydrophobicContact CB-CG 4Å; P196-R198 PolarHBondContact O-N 2.91Å; P196-L199 WeakPolarHBondContact O-CB 3.45Å; P196-L199 PolarHBondContact O-N 3.2Å; P196-L199 VanDerWaalsContact O-N 3.1Å; P196-L200 PolarHBondContact O-N 3.13Å
197	T	98	Very high	95.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-52.1	-51.2	-179.6	-59.2	0	0	0	0	112.6	L184 L199 L200 L201 V230 L233	L184-T197 HydrophobicContact CD1-CG2 4.07Å; T197-L199 VanDerWaalsContact C-N 3.31Å; T197-L199 PolarHBondContact O-N 3.46Å; T197-L200 PolarHBondContact O-N 3.35Å; T197-L201 HydrophobicContact CG2-CD1 4.09Å; T197-L201 HydrophobicContact CG2-CG 4.49Å; T197-L201 VanDerWaalsContact O-CG 3.3Å; T197-L201 WeakPolarHBondContact O-CG 3.4Å; T197-L201 PolarHBondContact O-N 3.02Å; T197-V230 HydrophobicContact CG2-CB 4.45Å; T197-V230 HydrophobicContact CG2-CG1 3.71Å; T197-V230 HydrophobicContact CG2-CG2 4.19Å; T197-V230 WeakPolarHBondContact OG1-CG2 3.3Å; T197-L233 HydrophobicContact CG2-CB 4.34Å; T197-L233 HydrophobicContact CG2-CD1 4.17Å
198	R	95.5	Very high	95.9	Very high	39 Å²	39	43.7 Å²	43.7	15%	0.147	22%	0.224	C	C	.	.	H	α-helix	trans	-61.5	-39.3	179.3	-174.2	-166.5	56.8	62.4	2.3	112	V194 D195 P196 L201 T202 L233 S430 T431	V194-R198 HydrophobicContact CG1-CB 3.76Å; V194-R198 HydrophobicContact CG1-CG 4.27Å; V194-R198 VanDerWaalsContact O-CB 3.31Å; V194-R198 WeakPolarHBondContact O-CB 3.19Å; V194-R198 PolarHBondContact O-N 3.04Å; D195-R198 IonicContact OD1-CZ 3.24Å; D195-R198 IonicContact OD1-NE 3.9Å; D195-R198 PolarHBondContact OD1-NE 3.47Å; D195-R198 IonicContact OD1-NH2 3.77Å; D195-R198 PolarHBondContact OD1-NH2 2.88Å; D195-R198 IonicContact OD2-CZ 2.8Å; D195-R198 IonicContact OD2-NE 2.74Å; D195-R198 IonicContact OD2-NH2 2.9Å; D195-R198 PolarHBondContact OD2-NH2 3.36Å; P196-R198 PolarHBondContact O-N 2.91Å; R198-L201 PolarHBondContact O-N 3.41Å; R198-T202 PolarHBondContact O-N 3.43Å; R198-T202 PolarHBondContact O-OG1 3.35Å; R198-L233 HydrophobicContact CB-CD1 4.32Å; R198-S430 VanDerWaalsContact NH1-C 3.33Å; R198-S430 PolarHBondContact NH1-O 3.37Å; R198-S430 PolarHBondContact NH2-O 3.39Å; R198-S430 PolarHBondContact NH2-OG 3.35Å; R198-T431 PolarHBondContact NH1-OG1 3.48Å
199	L	94.6	Very high	95.9	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.01	24%	0.24	C	C	.	.	H	α-helix	trans	-60.8	-48	174.1	175.8	68.6	0	0	0	111.6	T160 V163 A164 D195 P196 T197 L201 T202 F203 L433	T160-L199 HydrophobicContact CG2-CB 4.19Å; T160-L199 HydrophobicContact CG2-CD2 3.6Å; T160-L199 HydrophobicContact CG2-CG 4.47Å; T160-L199 VanDerWaalsContact O-CD2 3.26Å; T160-L199 WeakPolarHBondContact O-CD2 3.5Å; V163-L199 HydrophobicContact CB-CD2 4.18Å; V163-L199 HydrophobicContact CG1-CD2 4Å; A164-L199 HydrophobicContact CB-CD1 4.48Å; A164-L199 HydrophobicContact CB-CD2 3.74Å; D195-L199 PolarHBondContact OD1-N 3Å; P196-L199 WeakPolarHBondContact O-CB 3.45Å; P196-L199 PolarHBondContact O-N 3.2Å; P196-L199 VanDerWaalsContact O-N 3.1Å; T197-L199 VanDerWaalsContact C-N 3.31Å; T197-L199 PolarHBondContact O-N 3.46Å; L199-L201 PolarHBondContact O-N 3.01Å; L199-T202 WeakPolarHBondContact O-CA 3.4Å; L199-T202 VanDerWaalsContact O-CB 3.24Å; L199-T202 WeakPolarHBondContact O-CB 2.79Å; L199-T202 PolarHBondContact O-N 2.87Å; L199-F203 HydrophobicContact CD1-CD2 4.12Å; L199-F203 HydrophobicContact CD1-CE2 3.66Å; L199-F203 HydrophobicContact CG-CD2 4.16Å; L199-F203 HydrophobicContact CG-CE2 3.98Å; L199-F203 WeakPolarHBondContact O-CD2 3.5Å; L199-F203 PolarHBondContact O-N 3.42Å; L199-F203 VanDerWaalsContact O-N 3.17Å; L199-L433 HydrophobicContact CD1-CD2 3.45Å; L199-L433 VanDerWaalsContact CD1-CD2 3.45Å
200	L	96.8	Very high	95.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-60.4	-45.2	178.2	-71.2	167.6	0	0	0	111.3	V163 I167 V173 P183 L184 A187 P196 T197 T202 F203 N204 V205	V163-L200 HydrophobicContact CG1-CD2 3.76Å; V163-L200 HydrophobicContact CG1-CG 4.24Å; I167-L200 HydrophobicContact CD1-CD2 3.9Å; V173-L200 HydrophobicContact CG2-CD2 3.75Å; P183-L200 HydrophobicContact CB-CD1 4.11Å; P183-L200 HydrophobicContact CB-CD2 4.02Å; L184-L200 HydrophobicContact CB-CD1 4.42Å; L184-L200 HydrophobicContact CD1-CB 4.14Å; L184-L200 HydrophobicContact CD1-CD1 4.37Å; A187-L200 HydrophobicContact CB-CD1 4.09Å; P196-L200 PolarHBondContact O-N 3.13Å; T197-L200 PolarHBondContact O-N 3.35Å; L200-T202 PolarHBondContact O-N 2.63Å; L200-F203 CarbonylContact O-C 3.54Å; L200-F203 WeakPolarHBondContact O-CA 3.39Å; L200-F203 PolarHBondContact O-N 3Å; L200-N204 PolarHBondContact O-N 2.86Å; L200-V205 HydrophobicContact CB-CG1 4.13Å; L200-V205 HydrophobicContact CD2-CG1 4.5Å; L200-V205 WeakPolarHBondContact O-CG1 3.47Å; L200-V205 WeakPolarHBondContact O-CG2 3.34Å
201	L	96	Very high	95.8	Very high	33 Å²	33	37.8 Å²	37.8	17%	0.173	21%	0.212	C	C	.	.	H	α-helix	trans	-58.3	-34.2	172.7	-66	174.3	0	0	0	112.5	L184 T197 R198 L199 F203 N204 V205 V207 L233 L234 A237	L184-L201 HydrophobicContact CD1-CD2 4.27Å; L184-L201 HydrophobicContact CD1-CG 4.43Å; L184-L201 HydrophobicContact CD2-CD2 4.47Å; T197-L201 HydrophobicContact CG2-CD1 4.09Å; T197-L201 HydrophobicContact CG2-CG 4.49Å; T197-L201 VanDerWaalsContact O-CG 3.3Å; T197-L201 WeakPolarHBondContact O-CG 3.4Å; T197-L201 PolarHBondContact O-N 3.02Å; R198-L201 PolarHBondContact O-N 3.41Å; L199-L201 PolarHBondContact O-N 3.01Å; L201-F203 VanDerWaalsContact C-N 3.28Å; L201-F203 PolarHBondContact O-N 3.47Å; L201-N204 PolarHBondContact O-N 3.1Å; L201-N204 VanDerWaalsContact O-N 3.11Å; L201-V205 HydrophobicContact CD2-CG2 3.87Å; L201-V207 HydrophobicContact CD2-CG2 3.61Å; L201-L233 HydrophobicContact CD1-CB 4.06Å; L201-L234 HydrophobicContact CD2-CD2 4.37Å; L201-A237 HydrophobicContact CD1-CB 3.9Å; L201-A237 HydrophobicContact CD2-CB 3.62Å; L201-A237 HydrophobicContact CG-CB 4.26Å
202	T	92.6	Very high	95.8	Very high	40 Å²	40	43.2 Å²	43.2	25%	0.245	24%	0.235	C	C	.	.	H	α-helix	trans	-67.6	-29.1	176	-54.4	0	0	0	0	112.1	R198 L199 L200 N204 T431 L433	R198-T202 PolarHBondContact O-N 3.43Å; R198-T202 PolarHBondContact O-OG1 3.35Å; L199-T202 WeakPolarHBondContact O-CA 3.4Å; L199-T202 VanDerWaalsContact O-CB 3.24Å; L199-T202 WeakPolarHBondContact O-CB 2.79Å; L199-T202 PolarHBondContact O-N 2.87Å; L200-T202 PolarHBondContact O-N 2.63Å; T202-N204 PolarHBondContact O-N 3.32Å; T202-T431 VanDerWaalsContact CG2-O 3.32Å; T202-T431 WeakPolarHBondContact CG2-O 3.32Å; T202-L433 HydrophobicContact CG2-CD1 3.77Å; T202-L433 HydrophobicContact CG2-CD2 4.39Å; T202-L433 HydrophobicContact CG2-CG 3.85Å
203	F	93.3	Very high	95.8	Very high	21 Å²	21	43.3 Å²	43.3	9%	0.092	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	11.4	172.7	-76.7	-66.2	0	0	0	113.8	I167 V173 L199 L200 L201 V205 I414 L433	I167-F203 HydrophobicContact CB-CE2 4.32Å; I167-F203 HydrophobicContact CB-CZ 4.39Å; I167-F203 HydrophobicContact CD1-CD2 3.71Å; I167-F203 HydrophobicContact CD1-CE2 3.98Å; I167-F203 HydrophobicContact CD1-CG 4.36Å; I167-F203 HydrophobicContact CG2-CD1 3.79Å; I167-F203 HydrophobicContact CG2-CD2 4.1Å; I167-F203 HydrophobicContact CG2-CE1 3.84Å; I167-F203 HydrophobicContact CG2-CE2 4.13Å; I167-F203 HydrophobicContact CG2-CG 3.92Å; I167-F203 HydrophobicContact CG2-CZ 3.99Å; V173-F203 HydrophobicContact CG2-CB 3.98Å; L199-F203 HydrophobicContact CD1-CD2 4.12Å; L199-F203 HydrophobicContact CD1-CE2 3.66Å; L199-F203 HydrophobicContact CG-CD2 4.16Å; L199-F203 HydrophobicContact CG-CE2 3.98Å; L199-F203 WeakPolarHBondContact O-CD2 3.5Å; L199-F203 PolarHBondContact O-N 3.42Å; L199-F203 VanDerWaalsContact O-N 3.17Å; L200-F203 CarbonylContact O-C 3.54Å; L200-F203 WeakPolarHBondContact O-CA 3.39Å; L200-F203 PolarHBondContact O-N 3Å; L201-F203 VanDerWaalsContact C-N 3.28Å; L201-F203 PolarHBondContact O-N 3.47Å; F203-V205 PolarHBondContact O-N 3.45Å; F203-I414 HydrophobicContact CZ-CD1 3.79Å; F203-L433 HydrophobicContact CD1-CD1 4.09Å; F203-L433 HydrophobicContact CD2-CD1 4.49Å; F203-L433 HydrophobicContact CE1-CD1 3.6Å; F203-L433 HydrophobicContact CE2-CD1 4.06Å; F203-L433 HydrophobicContact CZ-CD1 3.6Å
204	N	92.6	Very high	95.9	Very high	142 Å²	142	42.9 Å²	42.9	76%	0.759	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.2	42.5	173.5	-161.3	69.7	0	0	0	114	L200 L201 T202	L200-N204 PolarHBondContact O-N 2.86Å; L201-N204 PolarHBondContact O-N 3.1Å; L201-N204 VanDerWaalsContact O-N 3.11Å; T202-N204 PolarHBondContact O-N 3.32Å
205	V	96.3	Very high	96.1	Very high	9 Å²	9	44.8 Å²	44.8	6%	0.055	23%	0.227	C	C	.	.			trans	-55	155.1	169.9	-71	0	0	0	0	112.9	V173 D174 L184 L200 L201 F203 V207	V173-V205 HydrophobicContact CB-CG1 4Å; V173-V205 HydrophobicContact CG1-CG1 3.74Å; V173-V205 HydrophobicContact CG2-CG1 3.21Å; D174-V205 WeakPolarHBondContact OD1-CB 3.45Å; L184-V205 HydrophobicContact CD1-CG2 4.32Å; L184-V205 HydrophobicContact CD2-CB 4.49Å; L184-V205 HydrophobicContact CD2-CG2 3.78Å; L184-V205 HydrophobicContact CG-CG2 4.46Å; L200-V205 HydrophobicContact CB-CG1 4.13Å; L200-V205 HydrophobicContact CD2-CG1 4.5Å; L200-V205 WeakPolarHBondContact O-CG1 3.47Å; L200-V205 WeakPolarHBondContact O-CG2 3.34Å; L201-V205 HydrophobicContact CD2-CG2 3.87Å; F203-V205 PolarHBondContact O-N 3.45Å; V205-V207 HydrophobicContact CG2-CG2 4.39Å; V205-V207 PolarHBondContact O-N 3.39Å
206	S	97.8	Very high	96.3	Very high	57 Å²	57	43.2 Å²	43.2	40%	0.399	22%	0.218	S	C	.	.			trans	-78.9	85.5	173.9	-57.7	0	0	0	0	110.9	D174 N208 L209	D174-S206 PolarHBondContact OD1-N 2.94Å; D174-S206 WeakPolarHBondContact OD2-CB 3.44Å; D174-S206 PolarHBondContact OD2-N 3.49Å; D174-S206 PolarHBondContact OD2-OG 2.91Å; S206-N208 PolarHBondContact O-N 3.39Å; S206-L209 VanDerWaalsContact CB-CD1 3.46Å; S206-L209 VanDerWaalsContact CB-CG 3.45Å; S206-L209 PolarHBondContact O-N 3.01Å; S206-L209 VanDerWaalsContact O-N 3.11Å
207	V	97.8	Very high	96.5	Very high	17 Å²	17	43.4 Å²	43.4	10%	0.103	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-31.1	-174.2	-176.2	0	0	0	0	114.3	L201 V205 L234 A237 A239	L201-V207 HydrophobicContact CD2-CG2 3.61Å; V205-V207 HydrophobicContact CG2-CG2 4.39Å; V205-V207 PolarHBondContact O-N 3.39Å; V207-L234 HydrophobicContact CG1-CD2 4.08Å; V207-A237 HydrophobicContact CG2-CB 4.18Å; V207-A239 HydrophobicContact CG1-CB 3.69Å
208	N	97.4	Very high	96.5	Very high	81 Å²	81	43.5 Å²	43.5	43%	0.433	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	7.9	-173	-64.4	-48.1	0	0	0	114.3	S206 G210 A239 N240	S206-N208 PolarHBondContact O-N 3.39Å; N208-G210 PolarHBondContact O-N 3.18Å; N208-A239 WeakPolarHBondContact OD1-CA 3.49Å; N208-N240 WeakPolarHBondContact OD1-CB 3.16Å; N208-N240 PolarHBondContact OD1-N 3.06Å
209	L	97.6	Very high	96.6	Very high	63 Å²	63	41.7 Å²	41.7	33%	0.33	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-61.4	136.6	170.2	-69.6	177.5	0	0	0	109.4	D174 T182 M185 S206 T217	D174-L209 HydrophobicContact CB-CD1 4.09Å; T182-L209 HydrophobicContact CG2-CD1 4.4Å; M185-L209 HydrophobicContact CE-CB 4.11Å; M185-L209 WeakPolarHBondContact CE-O 3.38Å; S206-L209 VanDerWaalsContact CB-CD1 3.46Å; S206-L209 VanDerWaalsContact CB-CG 3.45Å; S206-L209 PolarHBondContact O-N 3.01Å; S206-L209 VanDerWaalsContact O-N 3.11Å; L209-T217 VanDerWaalsContact O-CA 3.26Å; L209-T217 WeakPolarHBondContact O-CA 3.27Å
210	G	97.4	Very high	96.8	Very high	19 Å²	19	41.6 Å²	41.6	20%	0.196	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-96.7	146.6	168.5	0	0	0	0	0	110.1	N208 N216	N208-G210 PolarHBondContact O-N 3.18Å; G210-N216 WeakPolarHBondContact CA-O 3.31Å
211	D	97.9	Very high	96.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-60.8	159.7	176.1	79.4	98.3	0	0	0	111.2	G180 M181 M185 Y213 H214 K215 N216	G180-D211 WeakPolarHBondContact O-CA 3.36Å; G180-D211 WeakPolarHBondContact O-CB 3.26Å; M181-D211 HydrophobicContact SD-CB 3.84Å; M185-D211 HydrophobicContact CE-CB 4.34Å; M185-D211 VanDerWaalsContact CE-N 3.28Å; M185-D211 HydrophobicContact SD-CB 3.8Å; D211-Y213 VanDerWaalsContact C-N 3.32Å; D211-Y213 PolarHBondContact O-N 2.65Å; D211-Y213 PolarHBondContact OD1-N 3.22Å; D211-H214 IonicContact OD1-CG 3.68Å; D211-H214 PolarHBondContact OD1-N 3.48Å; D211-H214 IonicContact OD1-ND1 3.02Å; D211-H214 PolarHBondContact OD1-ND1 3.29Å; D211-H214 WeakPolarHBondContact OD2-CB 3.1Å; D211-H214 IonicContact OD2-ND1 3.96Å; D211-K215 VanDerWaalsContact O-CA 3.31Å; D211-K215 WeakPolarHBondContact O-CA 3.33Å; D211-K215 PolarHBondContact O-N 2.93Å; D211-K215 VanDerWaalsContact O-N 3.1Å; D211-K215 PolarHBondContact OD2-N 3.05Å; D211-K215 VanDerWaalsContact OD2-N 3.1Å; D211-N216 PolarHBondContact N-O 3.38Å; D211-N216 WeakPolarHBondContact OD2-CA 3.24Å; D211-N216 VanDerWaalsContact OD2-CB 3.27Å; D211-N216 WeakPolarHBondContact OD2-CB 3.41Å; D211-N216 PolarHBondContact OD2-N 3.01Å
212	K	97.1	Very high	97	Very high	121 Å²	121	41.3 Å²	41.3	53%	0.526	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-42.1	-173.7	-173.2	178.3	173.3	-170.1	0	113.1	G180 K215	G180-K212 PolarHBondContact O-N 3.24Å; K212-K215 PolarHBondContact O-NZ 3.38Å
213	Y	96	Very high	97.3	Very high	113 Å²	113	39.4 Å²	39.4	44%	0.443	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-42.6	-165.6	-57.4	-68.5	0	0	0	112.7	Q178 N179 D211	Q178-Y213 WeakPolarHBondContact O-CE2 3.45Å; Q178-Y213 PolarHBondContact O-OH 2.87Å; N179-Y213 WeakPolarHBondContact O-CD2 3.32Å; N179-Y213 VanDerWaalsContact O-CE2 3.25Å; N179-Y213 WeakPolarHBondContact O-CE2 3.24Å; D211-Y213 VanDerWaalsContact C-N 3.32Å; D211-Y213 PolarHBondContact O-N 2.65Å; D211-Y213 PolarHBondContact OD1-N 3.22Å
214	H	96.1	Very high	97.5	Very high	44 Å²	44	40.5 Å²	40.5	20%	0.204	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-12.9	-175.7	-44.5	91.4	0	0	0	112.9	Y8 D211 N216 N245 I246	Y8-H214 AromaticContact CE1-CD2 3.6Å; Y8-H214 AromaticContact CE1-NE2 3.61Å; Y8-H214 AromaticContact CZ-CD2 3.64Å; Y8-H214 PolarHBondContact OH-CD2 3.12Å; D211-H214 IonicContact OD1-CG 3.68Å; D211-H214 PolarHBondContact OD1-N 3.48Å; D211-H214 IonicContact OD1-ND1 3.02Å; D211-H214 PolarHBondContact OD1-ND1 3.29Å; D211-H214 WeakPolarHBondContact OD2-CB 3.1Å; D211-H214 IonicContact OD2-ND1 3.96Å; H214-N216 HydrophobicContact CB-CB 4.34Å; H214-N216 PolarHBondContact O-N 3.19Å; H214-N216 VanDerWaalsContact O-N 3.16Å; H214-N245 WeakPolarHBondContact O-CB 3.46Å; H214-I246 WeakPolarHBondContact O-CB 3.3Å; H214-I246 WeakPolarHBondContact O-CG2 3.48Å; H214-I246 PolarHBondContact O-N 3.17Å
215	K	97.9	Very high	97.7	Very high	106 Å²	106	34.9 Å²	34.9	46%	0.461	18%	0.178	S	C	.	.			trans	57.6	19	-170.2	-53.4	-64	176.6	-161.3	0	113.4	D211 K212 T217 I246	D211-K215 VanDerWaalsContact O-CA 3.31Å; D211-K215 WeakPolarHBondContact O-CA 3.33Å; D211-K215 PolarHBondContact O-N 2.93Å; D211-K215 VanDerWaalsContact O-N 3.1Å; D211-K215 PolarHBondContact OD2-N 3.05Å; D211-K215 VanDerWaalsContact OD2-N 3.1Å; K212-K215 PolarHBondContact O-NZ 3.38Å; K215-T217 PolarHBondContact O-N 2.95Å; K215-I246 HydrophobicContact CG-CB 4.46Å
216	N	98.5	Very high	97.7	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	19%	0.189	C	C	.	.			trans	-67.8	120.9	170.8	-76.7	-29.5	0	0	0	109	G210 D211 H214 H220 W221 N245	G210-N216 WeakPolarHBondContact CA-O 3.31Å; D211-N216 PolarHBondContact N-O 3.38Å; D211-N216 WeakPolarHBondContact OD2-CA 3.24Å; D211-N216 VanDerWaalsContact OD2-CB 3.27Å; D211-N216 WeakPolarHBondContact OD2-CB 3.41Å; D211-N216 PolarHBondContact OD2-N 3.01Å; H214-N216 HydrophobicContact CB-CB 4.34Å; H214-N216 PolarHBondContact O-N 3.19Å; H214-N216 VanDerWaalsContact O-N 3.16Å; N216-H220 HydrophobicContact CB-CB 3.69Å; N216-W221 HydrophobicContact CB-CD2 4.25Å; N216-W221 HydrophobicContact CB-CG 4.45Å; N216-W221 HydrophobicContact CB-CZ2 3.92Å; N216-W221 PolarHBondContact O-NE1 2.81Å; N216-N245 WeakPolarHBondContact OD1-CB 3.37Å; N216-N245 PolarHBondContact OD1-ND2 2.87Å; N216-N245 VanDerWaalsContact OD1-ND2 3.13Å
217	T	98.5	Very high	97.6	Very high	4 Å²	4	33.1 Å²	33.1	3%	0.025	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-73.5	168.3	169.8	70.2	0	0	0	0	111.2	L209 K215 L219 H220 W221 A243	L209-T217 VanDerWaalsContact O-CA 3.26Å; L209-T217 WeakPolarHBondContact O-CA 3.27Å; K215-T217 PolarHBondContact O-N 2.95Å; T217-L219 PolarHBondContact O-N 3.3Å; T217-L219 VanDerWaalsContact O-N 3.08Å; T217-L219 PolarHBondContact OG1-N 3.49Å; T217-H220 PolarHBondContact N-ND1 2.98Å; T217-H220 VanDerWaalsContact N-ND1 3.1Å; T217-H220 WeakPolarHBondContact O-CB 3.31Å; T217-H220 PolarHBondContact O-N 2.97Å; T217-H220 PolarHBondContact OG1-ND1 3.25Å; T217-W221 PolarHBondContact O-N 3.23Å; T217-W221 VanDerWaalsContact O-N 3.11Å; T217-A243 HydrophobicContact CG2-CB 4.01Å
218	A	98.6	Very high	97.5	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.008	18%	0.181	C	C	.	.	H	α-helix	trans	-52.9	-31.8	172.6	0	0	0	0	0	112.6	L184 M185 A188 W221 A222 L234	L184-A218 HydrophobicContact CD2-CB 3.79Å; L184-A218 HydrophobicContact CG-CB 3.75Å; M185-A218 HydrophobicContact CG-CB 4.3Å; A188-A218 HydrophobicContact CB-CB 4.24Å; A188-A218 VanDerWaalsContact CB-O 3.32Å; A188-A218 WeakPolarHBondContact CB-O 3.46Å; A218-W221 PolarHBondContact O-N 2.94Å; A218-A222 WeakPolarHBondContact O-CB 3.16Å; A218-A222 PolarHBondContact O-N 3.47Å; A218-L234 HydrophobicContact CB-CD1 4.06Å; A218-L234 HydrophobicContact CB-CD2 4.13Å
219	L	98.4	Very high	97.4	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-69.7	-37.2	176.1	-173.8	60.6	0	0	0	112.6	T217 A222 V223 I231 L234 L235 A239 V241 P251 L267	T217-L219 PolarHBondContact O-N 3.3Å; T217-L219 VanDerWaalsContact O-N 3.08Å; T217-L219 PolarHBondContact OG1-N 3.49Å; L219-A222 PolarHBondContact O-N 3.07Å; L219-V223 WeakPolarHBondContact O-CG2 3.46Å; L219-V223 PolarHBondContact O-N 3.46Å; L219-V223 VanDerWaalsContact O-N 3.08Å; L219-I231 HydrophobicContact CD1-CG1 4.31Å; L219-I231 HydrophobicContact CD1-CG2 4.22Å; L219-L234 HydrophobicContact CB-CD1 4.26Å; L219-L234 HydrophobicContact CD1-CB 4.3Å; L219-L234 HydrophobicContact CD1-CD1 4.26Å; L219-L235 HydrophobicContact CD1-CD2 4.41Å; L219-L235 HydrophobicContact CD2-CD2 3.98Å; L219-A239 HydrophobicContact CB-CB 4.27Å; L219-A239 HydrophobicContact CD2-CB 3.96Å; L219-V241 HydrophobicContact CD2-CG1 4Å; L219-P251 HydrophobicContact CB-CG 4.28Å; L219-P251 HydrophobicContact CD2-CB 4.04Å; L219-P251 HydrophobicContact CD2-CG 3.9Å; L219-P251 HydrophobicContact CG-CB 3.86Å; L219-P251 HydrophobicContact CG-CG 3.91Å; L219-L267 HydrophobicContact CD1-CD2 4.15Å; L219-L267 HydrophobicContact CD2-CD2 4.08Å; L219-L267 HydrophobicContact CG-CD2 4.4Å
220	H	98.6	Very high	97.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.4	-49.4	172.3	-67.3	80.4	0	0	0	110.2	N216 T217 A222 V223 L224 A243 E249 P251 L254	N216-H220 HydrophobicContact CB-CB 3.69Å; T217-H220 PolarHBondContact N-ND1 2.98Å; T217-H220 VanDerWaalsContact N-ND1 3.1Å; T217-H220 WeakPolarHBondContact O-CB 3.31Å; T217-H220 PolarHBondContact O-N 2.97Å; T217-H220 PolarHBondContact OG1-ND1 3.25Å; H220-A222 VanDerWaalsContact C-N 3.35Å; H220-A222 PolarHBondContact O-N 3.45Å; H220-V223 PolarHBondContact O-N 3.44Å; H220-V223 VanDerWaalsContact O-N 3.14Å; H220-L224 WeakPolarHBondContact O-CG 3.49Å; H220-L224 PolarHBondContact O-N 3.33Å; H220-A243 PolarHBondContact CE1-O 3.43Å; H220-A243 PolarHBondContact NE2-O 3.39Å; H220-E249 PolarHBondContact NE2-O 3.11Å; H220-E249 VanDerWaalsContact NE2-O 3.15Å; H220-P251 WeakPolarHBondContact NE2-CD 3.41Å; H220-L254 HydrophobicContact CB-CD1 4.07Å
221	W	98.5	Very high	97.4	Very high	27 Å²	27	29.8 Å²	29.8	10%	0.102	15%	0.151	C	C	.	.	H	α-helix	trans	-60.4	-41	178.8	-69.4	114.5	0	0	0	112.9	M181 A188 Y189 N216 T217 A218 V223 L224 A225	M181-W221 HydrophobicContact CE-CD2 3.86Å; M181-W221 HydrophobicContact CE-CE3 4.45Å; M181-W221 HydrophobicContact CE-CG 4.13Å; M181-W221 HydrophobicContact CE-CZ2 4.04Å; M181-W221 HydrophobicContact SD-CD2 4.37Å; M181-W221 VanDerWaalsContact SD-CE2 3.51Å; M181-W221 HydrophobicContact SD-CH2 4.48Å; M181-W221 HydrophobicContact SD-CZ2 3.59Å; M181-W221 VanDerWaalsContact SD-CZ2 3.59Å; M181-W221 PolarHBondContact SD-NE1 3.42Å; M181-W221 VanDerWaalsContact SD-NE1 3.44Å; A188-W221 HydrophobicContact CB-CB 4.37Å; Y189-W221 AromaticContact CD2-CE3 3.92Å; Y189-W221 HydrophobicContact CD2-CE3 3.92Å; Y189-W221 HydrophobicContact CE2-CE3 4.34Å; Y189-W221 HydrophobicContact CG-CE3 4.22Å; N216-W221 HydrophobicContact CB-CD2 4.25Å; N216-W221 HydrophobicContact CB-CG 4.45Å; N216-W221 HydrophobicContact CB-CZ2 3.92Å; N216-W221 PolarHBondContact O-NE1 2.81Å; T217-W221 PolarHBondContact O-N 3.23Å; T217-W221 VanDerWaalsContact O-N 3.11Å; A218-W221 PolarHBondContact O-N 2.94Å; W221-V223 VanDerWaalsContact C-N 3.35Å; W221-V223 PolarHBondContact O-N 2.91Å; W221-L224 HydrophobicContact CE3-CD1 3.95Å; W221-L224 HydrophobicContact CZ3-CD1 4.13Å; W221-L224 PolarHBondContact O-N 3.36Å; W221-A225 WeakPolarHBondContact O-CB 3.42Å; W221-A225 PolarHBondContact O-N 3.03Å
222	A	98.3	Very high	97.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-62.1	-41.3	174.9	0	0	0	0	0	112	A188 A218 L219 H220 A225 G226 N227 V230 I231 L234	A188-A222 HydrophobicContact CB-CB 4.11Å; A218-A222 WeakPolarHBondContact O-CB 3.16Å; A218-A222 PolarHBondContact O-N 3.47Å; L219-A222 PolarHBondContact O-N 3.07Å; H220-A222 VanDerWaalsContact C-N 3.35Å; H220-A222 PolarHBondContact O-N 3.45Å; A222-A225 PolarHBondContact O-N 3.29Å; A222-G226 PolarHBondContact O-N 3.48Å; A222-G226 VanDerWaalsContact O-N 3.09Å; A222-N227 HydrophobicContact CB-CB 4.42Å; A222-N227 PolarHBondContact O-N 2.96Å; A222-V230 HydrophobicContact CB-CB 4.47Å; A222-V230 HydrophobicContact CB-CG1 4.1Å; A222-I231 HydrophobicContact CB-CG1 3.76Å; A222-L234 HydrophobicContact CB-CD1 4.07Å
223	V	97.9	Very high	97.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-67.4	-43.2	176.5	171.2	0	0	0	0	111.6	L219 H220 W221 A225 G226 I231 P251 L254 A255 R258 M263 L267	L219-V223 WeakPolarHBondContact O-CG2 3.46Å; L219-V223 PolarHBondContact O-N 3.46Å; L219-V223 VanDerWaalsContact O-N 3.08Å; H220-V223 PolarHBondContact O-N 3.44Å; H220-V223 VanDerWaalsContact O-N 3.14Å; W221-V223 VanDerWaalsContact C-N 3.35Å; W221-V223 PolarHBondContact O-N 2.91Å; V223-A225 VanDerWaalsContact C-N 3.29Å; V223-A225 PolarHBondContact O-N 3.18Å; V223-G226 PolarHBondContact O-N 2.81Å; V223-I231 HydrophobicContact CG2-CD1 3.86Å; V223-I231 HydrophobicContact CG2-CG1 4.29Å; V223-P251 HydrophobicContact CG2-CB 4.15Å; V223-L254 HydrophobicContact CG1-CB 3.82Å; V223-A255 HydrophobicContact CG1-CB 3.91Å; V223-R258 WeakPolarHBondContact O-CD 3.45Å; V223-M263 HydrophobicContact CG1-CE 4.18Å; V223-M263 HydrophobicContact CG1-SD 4.25Å; V223-M263 HydrophobicContact CG2-SD 4.49Å; V223-L267 HydrophobicContact CG2-CD1 3.9Å
224	L	97.3	Very high	97.2	Very high	45 Å²	45	21.8 Å²	21.8	24%	0.236	13%	0.125	C	C	.	.	H	α-helix	trans	-60.1	-39.8	176	-70.5	171.9	0	0	0	111.5	H220 W221 G226 L254 R258	H220-L224 WeakPolarHBondContact O-CG 3.49Å; H220-L224 PolarHBondContact O-N 3.33Å; W221-L224 HydrophobicContact CE3-CD1 3.95Å; W221-L224 HydrophobicContact CZ3-CD1 4.13Å; W221-L224 PolarHBondContact O-N 3.36Å; L224-G226 VanDerWaalsContact C-N 3.28Å; L224-G226 PolarHBondContact O-N 3Å; L224-L254 HydrophobicContact CD1-CD1 4.41Å; L224-L254 HydrophobicContact CD2-CD1 4.01Å; L224-L254 HydrophobicContact CD2-CD2 4.22Å; L224-L254 HydrophobicContact CG-CD1 4.02Å; L224-R258 PolarHBondContact O-NH1 3.11Å; L224-R258 PolarHBondContact O-NH2 3.21Å
225	A	96.8	Very high	97.1	Very high	24 Å²	24	20.5 Å²	20.5	20%	0.198	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-6.5	176.2	0	0	0	0	0	114.3	Y189 H192 W221 A222 V223 N227	Y189-A225 HydrophobicContact CD2-CB 4.03Å; Y189-A225 VanDerWaalsContact O-CB 3.31Å; Y189-A225 WeakPolarHBondContact O-CB 3.48Å; H192-A225 PolarHBondContact NE2-O 3.31Å; H192-A225 VanDerWaalsContact NE2-O 3.14Å; W221-A225 WeakPolarHBondContact O-CB 3.42Å; W221-A225 PolarHBondContact O-N 3.03Å; A222-A225 PolarHBondContact O-N 3.29Å; V223-A225 VanDerWaalsContact C-N 3.29Å; V223-A225 PolarHBondContact O-N 3.18Å; A225-N227 HydrophobicContact CB-CB 4.21Å; A225-N227 PolarHBondContact O-N 3.28Å
226	G	96.5	Very high	96.8	Very high	28 Å²	28	21.7 Å²	21.7	29%	0.289	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	26.8	-172	0	0	0	0	0	113.6	A222 V223 L224 T228	A222-G226 PolarHBondContact O-N 3.48Å; A222-G226 VanDerWaalsContact O-N 3.09Å; V223-G226 PolarHBondContact O-N 2.81Å; L224-G226 VanDerWaalsContact C-N 3.28Å; L224-G226 PolarHBondContact O-N 3Å; G226-T228 PolarHBondContact O-N 3.12Å
227	N	97.1	Very high	96.5	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	14%	0.142	C	C	.	.			trans	-83.2	76.5	-172.8	-168.7	-10.4	0	0	0	111.8	A188 T191 A222 A225 T229 V230 I231	A188-N227 PolarHBondContact O-ND2 3.02Å; T191-N227 PolarHBondContact O-ND2 3.24Å; A222-N227 HydrophobicContact CB-CB 4.42Å; A222-N227 PolarHBondContact O-N 2.96Å; A225-N227 HydrophobicContact CB-CB 4.21Å; A225-N227 PolarHBondContact O-N 3.28Å; N227-T229 VanDerWaalsContact C-N 3.28Å; N227-T229 PolarHBondContact O-N 3.01Å; N227-V230 HydrophobicContact CB-CB 4.42Å; N227-V230 VanDerWaalsContact ND2-CG2 3.27Å; N227-V230 WeakPolarHBondContact ND2-CG2 3.26Å; N227-V230 PolarHBondContact O-N 3.24Å; N227-V230 PolarHBondContact OD1-N 3.22Å; N227-I231 WeakPolarHBondContact O-CG1 3.43Å; N227-I231 PolarHBondContact O-N 3.19Å
228	T	95.2	Very high	96.2	Very high	53 Å²	53	28.4 Å²	28.4	33%	0.325	17%	0.171	S	C	.	.	H	α-helix	trans	-57.9	-37.5	-176.6	57.5	0	0	0	0	113.2	G226 V230 I231 S232 W262 M263	G226-T228 PolarHBondContact O-N 3.12Å; T228-V230 PolarHBondContact O-N 2.88Å; T228-I231 PolarHBondContact O-N 3.2Å; T228-S232 PolarHBondContact O-N 2.89Å; T228-W262 HydrophobicContact CG2-CD2 4.26Å; T228-W262 HydrophobicContact CG2-CE3 3.44Å; T228-W262 VanDerWaalsContact CG2-CE3 3.44Å; T228-W262 HydrophobicContact CG2-CH2 4.18Å; T228-W262 HydrophobicContact CG2-CZ3 3.41Å; T228-W262 VanDerWaalsContact CG2-CZ3 3.41Å; T228-M263 HydrophobicContact CG2-CG 4.46Å
229	T	95.4	Very high	96	Very high	56 Å²	56	28.4 Å²	28.4	34%	0.344	17%	0.17	S	C	.	.	H	α-helix	trans	-57.9	-48.3	176.4	-54.3	0	0	0	0	111.6	V194 N227	V194-T229 HydrophobicContact CG2-CG2 3.85Å; N227-T229 VanDerWaalsContact C-N 3.28Å; N227-T229 PolarHBondContact O-N 3.01Å
230	V	97.7	Very high	95.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-75.4	-33.2	-178.7	170.4	0	0	0	0	111.9	A188 T197 A222 N227 T228 S232 L233 L234	A188-V230 HydrophobicContact CB-CG1 3.91Å; T197-V230 HydrophobicContact CG2-CB 4.45Å; T197-V230 HydrophobicContact CG2-CG1 3.71Å; T197-V230 HydrophobicContact CG2-CG2 4.19Å; T197-V230 WeakPolarHBondContact OG1-CG2 3.3Å; A222-V230 HydrophobicContact CB-CB 4.47Å; A222-V230 HydrophobicContact CB-CG1 4.1Å; N227-V230 HydrophobicContact CB-CB 4.42Å; N227-V230 VanDerWaalsContact ND2-CG2 3.27Å; N227-V230 WeakPolarHBondContact ND2-CG2 3.26Å; N227-V230 PolarHBondContact O-N 3.24Å; N227-V230 PolarHBondContact OD1-N 3.22Å; T228-V230 PolarHBondContact O-N 2.88Å; V230-S232 VanDerWaalsContact C-N 3.34Å; V230-S232 PolarHBondContact O-N 3.24Å; V230-L233 PolarHBondContact O-N 3.31Å; V230-L234 HydrophobicContact CG1-CD1 3.64Å; V230-L234 HydrophobicContact CG1-CG 3.84Å; V230-L234 WeakPolarHBondContact O-CG 3.32Å; V230-L234 PolarHBondContact O-N 3.32Å
231	I	97.6	Very high	95.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-53.8	-51.1	175.1	-70.9	167.9	0	0	0	110.5	L219 A222 V223 N227 T228 L233 L234 L235 W262 M263 L267	L219-I231 HydrophobicContact CD1-CG1 4.31Å; L219-I231 HydrophobicContact CD1-CG2 4.22Å; A222-I231 HydrophobicContact CB-CG1 3.76Å; V223-I231 HydrophobicContact CG2-CD1 3.86Å; V223-I231 HydrophobicContact CG2-CG1 4.29Å; N227-I231 WeakPolarHBondContact O-CG1 3.43Å; N227-I231 PolarHBondContact O-N 3.19Å; T228-I231 PolarHBondContact O-N 3.2Å; I231-L233 VanDerWaalsContact C-N 3.34Å; I231-L233 PolarHBondContact O-N 3.35Å; I231-L234 PolarHBondContact O-N 3.4Å; I231-L235 HydrophobicContact CG2-CD1 3.76Å; I231-L235 HydrophobicContact CG2-CG 4.32Å; I231-L235 VanDerWaalsContact O-CG 3.24Å; I231-L235 WeakPolarHBondContact O-CG 3.27Å; I231-L235 PolarHBondContact O-N 3.5Å; I231-W262 HydrophobicContact CD1-CZ3 4.49Å; I231-W262 HydrophobicContact CG2-CZ3 4.44Å; I231-M263 HydrophobicContact CD1-CG 3.87Å; I231-M263 HydrophobicContact CD1-SD 3.45Å; I231-M263 WeakPolarHBondContact CD1-SD 3.23Å; I231-L267 HydrophobicContact CG2-CD2 4.33Å
232	S	94.6	Very high	95	Very high	33 Å²	33	31.3 Å²	31.3	23%	0.231	19%	0.188	C	C	.	.	H	α-helix	trans	-60.8	-42.2	179.9	-62.2	0	0	0	0	112.3	T228 V230 L234 L235 D236 H266	T228-S232 PolarHBondContact O-N 2.89Å; V230-S232 VanDerWaalsContact C-N 3.34Å; V230-S232 PolarHBondContact O-N 3.24Å; S232-L234 PolarHBondContact O-N 3.11Å; S232-L235 PolarHBondContact O-N 2.96Å; S232-D236 WeakPolarHBondContact O-CB 3.39Å; S232-D236 PolarHBondContact O-N 2.96Å; S232-H266 PolarHBondContact OG-NE2 3.32Å
233	L	95.3	Very high	94.8	Very high	34 Å²	34	32 Å²	32	18%	0.178	19%	0.194	C	C	.	.	H	α-helix	trans	-62.5	-42.2	177.4	-68.1	172.8	0	0	0	112.8	V194 T197 R198 L201 V230 I231 D236 A237	V194-L233 HydrophobicContact CB-CD1 4.42Å; V194-L233 HydrophobicContact CG1-CD1 4.11Å; V194-L233 WeakPolarHBondContact O-CD1 3.27Å; T197-L233 HydrophobicContact CG2-CB 4.34Å; T197-L233 HydrophobicContact CG2-CD1 4.17Å; R198-L233 HydrophobicContact CB-CD1 4.32Å; L201-L233 HydrophobicContact CD1-CB 4.06Å; V230-L233 PolarHBondContact O-N 3.31Å; I231-L233 VanDerWaalsContact C-N 3.34Å; I231-L233 PolarHBondContact O-N 3.35Å; L233-D236 PolarHBondContact O-N 3.02Å; L233-A237 WeakPolarHBondContact O-CB 3.5Å; L233-A237 PolarHBondContact O-N 2.99Å
234	L	97.4	Very high	94.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-67	-39.9	178.7	-69.6	174.7	0	0	0	111.4	L184 L201 V207 A218 L219 A222 V230 I231 S232 A237 N238 A239	L184-L234 HydrophobicContact CD1-CD2 4.15Å; L184-L234 HydrophobicContact CD2-CD2 4.08Å; L184-L234 HydrophobicContact CG-CD2 4.32Å; L201-L234 HydrophobicContact CD2-CD2 4.37Å; V207-L234 HydrophobicContact CG1-CD2 4.08Å; A218-L234 HydrophobicContact CB-CD1 4.06Å; A218-L234 HydrophobicContact CB-CD2 4.13Å; L219-L234 HydrophobicContact CB-CD1 4.26Å; L219-L234 HydrophobicContact CD1-CB 4.3Å; L219-L234 HydrophobicContact CD1-CD1 4.26Å; A222-L234 HydrophobicContact CB-CD1 4.07Å; V230-L234 HydrophobicContact CG1-CD1 3.64Å; V230-L234 HydrophobicContact CG1-CG 3.84Å; V230-L234 WeakPolarHBondContact O-CG 3.32Å; V230-L234 PolarHBondContact O-N 3.32Å; I231-L234 PolarHBondContact O-N 3.4Å; S232-L234 PolarHBondContact O-N 3.11Å; L234-A237 CarbonylContact O-C 3.54Å; L234-A237 VanDerWaalsContact O-C 3.27Å; L234-A237 WeakPolarHBondContact O-CA 3.34Å; L234-A237 PolarHBondContact O-N 2.78Å; L234-N238 PolarHBondContact O-N 3.27Å; L234-A239 HydrophobicContact CB-CB 3.9Å; L234-A239 WeakPolarHBondContact O-CB 3.48Å; L234-A239 PolarHBondContact O-N 3.29Å
235	L	93.9	Very high	94.7	Very high	16 Å²	16	36.6 Å²	36.6	8%	0.084	21%	0.214	C	C	.	.	H	α-helix	trans	-65.7	-41.9	176.8	-66.1	173.7	0	0	0	111.9	L219 I231 S232 A237 N238 V241 L267 A270	L219-L235 HydrophobicContact CD1-CD2 4.41Å; L219-L235 HydrophobicContact CD2-CD2 3.98Å; I231-L235 HydrophobicContact CG2-CD1 3.76Å; I231-L235 HydrophobicContact CG2-CG 4.32Å; I231-L235 VanDerWaalsContact O-CG 3.24Å; I231-L235 WeakPolarHBondContact O-CG 3.27Å; I231-L235 PolarHBondContact O-N 3.5Å; S232-L235 PolarHBondContact O-N 2.96Å; L235-A237 PolarHBondContact O-N 2.89Å; L235-N238 PolarHBondContact O-N 3.14Å; L235-V241 HydrophobicContact CD2-CG1 3.42Å; L235-V241 VanDerWaalsContact CD2-CG1 3.42Å; L235-L267 HydrophobicContact CD1-CD2 4.22Å; L235-L267 HydrophobicContact CD2-CD2 4.11Å; L235-A270 HydrophobicContact CB-CB 4.44Å; L235-A270 HydrophobicContact CD1-CB 3.85Å; L235-A270 HydrophobicContact CD2-CB 3.8Å; L235-A270 HydrophobicContact CG-CB 4.23Å
236	D	90.3	Very high	94.7	Very high	132 Å²	132	40.8 Å²	40.8	71%	0.706	23%	0.232	S	C	*	.	H	α-helix	trans	-61	-33.6	172.5	-75.3	-17	0	0	0	111.7	S232 L233 N238	S232-D236 WeakPolarHBondContact O-CB 3.39Å; S232-D236 PolarHBondContact O-N 2.96Å; L233-D236 PolarHBondContact O-N 3.02Å; D236-N238 PolarHBondContact O-N 3.42Å
237	A	93	Very high	94.7	Very high	31 Å²	31	44.3 Å²	44.3	26%	0.256	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	26.2	172.3	0	0	0	0	0	113.8	L201 V207 L233 L234 L235 A239	L201-A237 HydrophobicContact CD1-CB 3.9Å; L201-A237 HydrophobicContact CD2-CB 3.62Å; L201-A237 HydrophobicContact CG-CB 4.26Å; V207-A237 HydrophobicContact CG2-CB 4.18Å; L233-A237 WeakPolarHBondContact O-CB 3.5Å; L233-A237 PolarHBondContact O-N 2.99Å; L234-A237 CarbonylContact O-C 3.54Å; L234-A237 VanDerWaalsContact O-C 3.27Å; L234-A237 WeakPolarHBondContact O-CA 3.34Å; L234-A237 PolarHBondContact O-N 2.78Å; L235-A237 PolarHBondContact O-N 2.89Å; A237-A239 VanDerWaalsContact C-N 3.34Å; A237-A239 PolarHBondContact O-N 3.01Å
238	N	91.1	Very high	94.6	Very high	115 Å²	115	45.9 Å²	45.9	62%	0.615	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	26	173.3	-64.2	92.3	0	0	0	116.3	L234 L235 D236 N240 K274	L234-N238 PolarHBondContact O-N 3.27Å; L235-N238 PolarHBondContact O-N 3.14Å; D236-N238 PolarHBondContact O-N 3.42Å; N238-N240 PolarHBondContact O-N 2.81Å; N238-K274 PolarHBondContact O-NZ 3.36Å
239	A	95.1	Very high	94.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.249	C	C	.	.			trans	-53.4	137.2	174	0	0	0	0	0	113.5	V207 N208 L219 L234 A237 V241 K274	V207-A239 HydrophobicContact CG1-CB 3.69Å; N208-A239 WeakPolarHBondContact OD1-CA 3.49Å; L219-A239 HydrophobicContact CB-CB 4.27Å; L219-A239 HydrophobicContact CD2-CB 3.96Å; L234-A239 HydrophobicContact CB-CB 3.9Å; L234-A239 WeakPolarHBondContact O-CB 3.48Å; L234-A239 PolarHBondContact O-N 3.29Å; A237-A239 VanDerWaalsContact C-N 3.34Å; A237-A239 PolarHBondContact O-N 3.01Å; A239-V241 PolarHBondContact O-N 3.36Å; A239-K274 PolarHBondContact O-NZ 3.38Å
240	N	92.5	Very high	94.8	Very high	49 Å²	49	43 Å²	43	26%	0.262	24%	0.236	S	C	.	.			trans	-78.8	111.8	-178.8	-174.5	4.7	0	0	0	110.4	N208 N238 D242 A243	N208-N240 WeakPolarHBondContact OD1-CB 3.16Å; N208-N240 PolarHBondContact OD1-N 3.06Å; N238-N240 PolarHBondContact O-N 2.81Å; N240-D242 VanDerWaalsContact C-N 3.32Å; N240-D242 PolarHBondContact OD1-N 3.34Å; N240-A243 HydrophobicContact CB-CB 4.03Å; N240-A243 PolarHBondContact OD1-N 2.94Å
241	V	91	Very high	94.7	Very high	1 Å²	1	43 Å²	43	1%	0.006	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-14.2	179.7	-63.4	0	0	0	0	113.6	L219 L235 A239 P251 L267 A270 R271	L219-V241 HydrophobicContact CD2-CG1 4Å; L235-V241 HydrophobicContact CD2-CG1 3.42Å; L235-V241 VanDerWaalsContact CD2-CG1 3.42Å; A239-V241 PolarHBondContact O-N 3.36Å; V241-P251 WeakPolarHBondContact O-CD 3.49Å; V241-L267 HydrophobicContact CG1-CD2 4.11Å; V241-A270 HydrophobicContact CG1-CB 4.35Å; V241-R271 HydrophobicContact CG2-CB 3.65Å; V241-R271 HydrophobicContact CG2-CG 3.81Å
242	D	91.2	Very high	94.5	Very high	39 Å²	39	43.4 Å²	43.4	21%	0.209	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.5	4.9	177.6	-69.7	-66.9	0	0	0	111.7	N240 Q244 R271	N240-D242 VanDerWaalsContact C-N 3.32Å; N240-D242 PolarHBondContact OD1-N 3.34Å; D242-Q244 PolarHBondContact O-N 3.25Å; D242-R271 IonicContact OD1-CZ 3.62Å; D242-R271 VanDerWaalsContact OD1-CZ 3.24Å; D242-R271 IonicContact OD1-NE 3.25Å; D242-R271 PolarHBondContact OD1-NE 3.48Å; D242-R271 IonicContact OD1-NH2 3.78Å; D242-R271 PolarHBondContact OD1-NH2 2.96Å; D242-R271 IonicContact OD2-NE 3.45Å; D242-R271 PolarHBondContact OD2-NE 3.22Å
243	A	93.9	Very high	94.5	Very high	16 Å²	16	44.3 Å²	44.3	13%	0.132	24%	0.24	C	C	.	.			trans	-59.8	130.9	171.3	0	0	0	0	0	108.7	T217 H220 N240 T250 P251	T217-A243 HydrophobicContact CG2-CB 4.01Å; H220-A243 PolarHBondContact CE1-O 3.43Å; H220-A243 PolarHBondContact NE2-O 3.39Å; N240-A243 HydrophobicContact CB-CB 4.03Å; N240-A243 PolarHBondContact OD1-N 2.94Å; A243-T250 WeakPolarHBondContact O-CA 3.26Å; A243-P251 WeakPolarHBondContact O-CD 3.4Å
244	Q	96.2	Very high	94.6	Very high	131 Å²	131	43 Å²	43	61%	0.612	23%	0.233	S	C	*	.			trans	-100.4	135.2	178.4	-66.8	-177.5	-56	0	0	109.8	D242 G248 E249 T250	D242-Q244 PolarHBondContact O-N 3.25Å; Q244-G248 PolarHBondContact NE2-O 3.32Å; Q244-E249 WeakPolarHBondContact CA-O 3.45Å; Q244-T250 HydrophobicContact CG-CG2 4Å
245	N	97	Very high	94.4	Very high	9 Å²	9	43 Å²	43	5%	0.048	23%	0.233	C	C	.	.			trans	-75.2	-176.4	168.3	75.7	5	0	0	0	110.9	H214 N216 K247 G248 E249	H214-N245 WeakPolarHBondContact O-CB 3.46Å; N216-N245 WeakPolarHBondContact OD1-CB 3.37Å; N216-N245 PolarHBondContact OD1-ND2 2.87Å; N216-N245 VanDerWaalsContact OD1-ND2 3.13Å; N245-K247 PolarHBondContact O-N 3.27Å; N245-K247 WeakPolarHBondContact OD1-CA 3.42Å; N245-K247 WeakPolarHBondContact OD1-CB 3.41Å; N245-K247 PolarHBondContact OD1-N 3.37Å; N245-G248 PolarHBondContact O-N 3.21Å; N245-G248 PolarHBondContact OD1-N 3.34Å; N245-E249 PolarHBondContact N-O 3.44Å; N245-E249 PolarHBondContact ND2-OE2 2.99Å; N245-E249 VanDerWaalsContact ND2-OE2 3.1Å; N245-E249 WeakPolarHBondContact OD1-CB 3.41Å; N245-E249 PolarHBondContact OD1-N 3.01Å; N245-E249 PolarHBondContact OD1-O 3.49Å
246	I	97.1	Very high	94.4	Very high	112 Å²	112	46.8 Å²	46.8	57%	0.574	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-25.1	-179.1	-160.8	166.8	0	0	0	113.3	H214 K215 G248	H214-I246 WeakPolarHBondContact O-CB 3.3Å; H214-I246 WeakPolarHBondContact O-CG2 3.48Å; H214-I246 PolarHBondContact O-N 3.17Å; K215-I246 HydrophobicContact CG-CB 4.46Å; I246-G248 VanDerWaalsContact C-N 3.27Å
247	K	96	Very high	94.6	Very high	103 Å²	103	46 Å²	46	45%	0.448	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	1.6	176.1	-59.9	-172.6	176.7	-168.8	0	112.5	Y8 N245 E249	Y8-K247 HydrophobicContact CE2-CD 4.04Å; Y8-K247 VanDerWaalsContact CE2-CE 3.44Å; N245-K247 PolarHBondContact O-N 3.27Å; N245-K247 WeakPolarHBondContact OD1-CA 3.42Å; N245-K247 WeakPolarHBondContact OD1-CB 3.41Å; N245-K247 PolarHBondContact OD1-N 3.37Å; K247-E249 VanDerWaalsContact C-N 3.25Å; K247-E249 HydrophobicContact CB-CG 3.96Å; K247-E249 PolarHBondContact O-N 3.26Å
248	G	96.3	Very high	94.5	Very high	33 Å²	33	50.7 Å²	50.7	34%	0.34	25%	0.252	S	S	.	.	S	Bend	trans	77	9	-176.2	0	0	0	0	0	114	Q244 N245 I246	Q244-G248 PolarHBondContact NE2-O 3.32Å; N245-G248 PolarHBondContact O-N 3.21Å; N245-G248 PolarHBondContact OD1-N 3.34Å; I246-G248 VanDerWaalsContact C-N 3.27Å
249	E	97	Very high	94.5	Very high	38 Å²	38	53.8 Å²	53.8	18%	0.178	26%	0.26	C	S	.	.			trans	-87.3	135.8	-176.3	-55.3	171.6	126.3	0	0	110.3	H220 Q244 N245 K247 L254 Q257	H220-E249 PolarHBondContact NE2-O 3.11Å; H220-E249 VanDerWaalsContact NE2-O 3.15Å; Q244-E249 WeakPolarHBondContact CA-O 3.45Å; N245-E249 PolarHBondContact N-O 3.44Å; N245-E249 PolarHBondContact ND2-OE2 2.99Å; N245-E249 VanDerWaalsContact ND2-OE2 3.1Å; N245-E249 WeakPolarHBondContact OD1-CB 3.41Å; N245-E249 PolarHBondContact OD1-N 3.01Å; N245-E249 PolarHBondContact OD1-O 3.49Å; K247-E249 VanDerWaalsContact C-N 3.25Å; K247-E249 HydrophobicContact CB-CG 3.96Å; K247-E249 PolarHBondContact O-N 3.26Å; E249-L254 HydrophobicContact CB-CD2 4.2Å; E249-L254 HydrophobicContact CB-CG 4.4Å; E249-Q257 PolarHBondContact OE1-NE2 3.4Å
250	T	96.2	Very high	94.3	Very high	11 Å²	11	56.3 Å²	56.3	7%	0.067	27%	0.273	C	S	.	.			trans	-88	163.7	170.5	67.2	0	0	0	0	111.1	A243 Q244 L252 D253 L254	A243-T250 WeakPolarHBondContact O-CA 3.26Å; Q244-T250 HydrophobicContact CG-CG2 4Å; T250-L252 PolarHBondContact O-N 3.27Å; T250-L252 VanDerWaalsContact O-N 3.16Å; T250-L252 PolarHBondContact OG1-N 3.03Å; T250-D253 WeakPolarHBondContact CB-OD2 3.46Å; T250-D253 PolarHBondContact N-OD2 3.17Å; T250-D253 PolarHBondContact O-N 2.87Å; T250-D253 PolarHBondContact OG1-N 2.99Å; T250-D253 VanDerWaalsContact OG1-N 3.09Å; T250-D253 PolarHBondContact OG1-OD2 3.48Å; T250-L254 PolarHBondContact O-N 2.88Å
251	P	96.1	Very high	94.3	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-55.1	-32.5	169.3	-25	34	0	0	0	112.7	L219 H220 V223 V241 A243 A255 L267	L219-P251 HydrophobicContact CB-CG 4.28Å; L219-P251 HydrophobicContact CD2-CB 4.04Å; L219-P251 HydrophobicContact CD2-CG 3.9Å; L219-P251 HydrophobicContact CG-CB 3.86Å; L219-P251 HydrophobicContact CG-CG 3.91Å; H220-P251 WeakPolarHBondContact NE2-CD 3.41Å; V223-P251 HydrophobicContact CG2-CB 4.15Å; V241-P251 WeakPolarHBondContact O-CD 3.49Å; A243-P251 WeakPolarHBondContact O-CD 3.4Å; P251-A255 WeakPolarHBondContact O-CB 3.28Å; P251-A255 PolarHBondContact O-N 3Å; P251-L267 HydrophobicContact CB-CD1 4.45Å
252	L	94	Very high	94.4	Very high	9 Å²	9	63.9 Å²	63.9	5%	0.047	31%	0.309	C	S	.	.	H	α-helix	trans	-69.1	-38.1	176.1	177.9	59.6	0	0	0	111.8	T250 A255 K256 I264 L267 Q268	T250-L252 PolarHBondContact O-N 3.27Å; T250-L252 VanDerWaalsContact O-N 3.16Å; T250-L252 PolarHBondContact OG1-N 3.03Å; L252-A255 PolarHBondContact O-N 3.17Å; L252-K256 WeakPolarHBondContact O-CG 3.45Å; L252-K256 PolarHBondContact O-N 3.46Å; L252-I264 HydrophobicContact CD1-CG2 4.22Å; L252-L267 HydrophobicContact CD1-CB 4.03Å; L252-Q268 HydrophobicContact CD1-CG 3.85Å; L252-Q268 HydrophobicContact CD2-CG 3.96Å
253	D	95	Very high	94.5	Very high	52 Å²	52	62 Å²	62	28%	0.278	30%	0.299	S	S	.	.	H	α-helix	trans	-68.5	-41.2	177.2	-59.4	-41.5	0	0	0	111.2	T250 A255 K256 Q257	T250-D253 WeakPolarHBondContact CB-OD2 3.46Å; T250-D253 PolarHBondContact N-OD2 3.17Å; T250-D253 PolarHBondContact O-N 2.87Å; T250-D253 PolarHBondContact OG1-N 2.99Å; T250-D253 VanDerWaalsContact OG1-N 3.09Å; T250-D253 PolarHBondContact OG1-OD2 3.48Å; D253-A255 VanDerWaalsContact C-N 3.3Å; D253-A255 PolarHBondContact O-N 2.87Å; D253-K256 WeakPolarHBondContact O-CB 3.49Å; D253-K256 PolarHBondContact O-N 3.02Å; D253-K256 IonicContact OD1-NZ 2.93Å; D253-K256 PolarHBondContact OD1-NZ 3.47Å; D253-Q257 WeakPolarHBondContact O-CG 3.47Å; D253-Q257 PolarHBondContact O-N 3.28Å
254	L	95.6	Very high	94.4	Very high	5 Å²	5	62.7 Å²	62.7	3%	0.026	30%	0.3	C	S	.	.	H	α-helix	trans	-59.1	-41.3	170.8	-63.4	180	0	0	0	111.7	H220 V223 L224 E249 T250 K256 Q257 R258	H220-L254 HydrophobicContact CB-CD1 4.07Å; V223-L254 HydrophobicContact CG1-CB 3.82Å; L224-L254 HydrophobicContact CD1-CD1 4.41Å; L224-L254 HydrophobicContact CD2-CD1 4.01Å; L224-L254 HydrophobicContact CD2-CD2 4.22Å; L224-L254 HydrophobicContact CG-CD1 4.02Å; E249-L254 HydrophobicContact CB-CD2 4.2Å; E249-L254 HydrophobicContact CB-CG 4.4Å; T250-L254 PolarHBondContact O-N 2.88Å; L254-K256 PolarHBondContact O-N 3.49Å; L254-Q257 PolarHBondContact O-N 2.92Å; L254-R258 WeakPolarHBondContact O-CG 3.43Å; L254-R258 PolarHBondContact O-N 3.13Å; L254-R258 VanDerWaalsContact O-N 3.11Å
255	A	95	Very high	94.1	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-64.4	-38.4	176.5	0	0	0	0	0	112.6	V223 P251 L252 D253 R258 K259 N260 M263 I264 L267	V223-A255 HydrophobicContact CG1-CB 3.91Å; P251-A255 WeakPolarHBondContact O-CB 3.28Å; P251-A255 PolarHBondContact O-N 3Å; L252-A255 PolarHBondContact O-N 3.17Å; D253-A255 VanDerWaalsContact C-N 3.3Å; D253-A255 PolarHBondContact O-N 2.87Å; A255-R258 PolarHBondContact O-N 2.95Å; A255-K259 PolarHBondContact O-N 2.92Å; A255-N260 PolarHBondContact O-N 3.39Å; A255-M263 HydrophobicContact CB-CB 3.89Å; A255-I264 HydrophobicContact CB-CG1 4.04Å; A255-L267 HydrophobicContact CB-CD1 3.73Å
256	K	93.5	Very high	93.8	Very high	97 Å²	97	61.9 Å²	61.9	42%	0.422	30%	0.299	S	S	.	.	H	α-helix	trans	-64.9	-44.5	174.4	-70.6	170.2	-166.3	151.9	0	111.8	L252 D253 L254 R258 K259 I264	L252-K256 WeakPolarHBondContact O-CG 3.45Å; L252-K256 PolarHBondContact O-N 3.46Å; D253-K256 WeakPolarHBondContact O-CB 3.49Å; D253-K256 PolarHBondContact O-N 3.02Å; D253-K256 IonicContact OD1-NZ 2.93Å; D253-K256 PolarHBondContact OD1-NZ 3.47Å; L254-K256 PolarHBondContact O-N 3.49Å; K256-R258 VanDerWaalsContact C-N 3.26Å; K256-R258 PolarHBondContact O-N 2.98Å; K256-K259 PolarHBondContact O-N 2.95Å; K256-I264 HydrophobicContact CG-CD1 4.31Å; K256-I264 HydrophobicContact CG-CG1 4.21Å
257	Q	93.3	Very high	93.5	Very high	116 Å²	116	56.6 Å²	56.6	54%	0.542	27%	0.271	S	S	.	.	H	α-helix	trans	-58.5	-40.3	177.2	-70.7	173.5	10.2	0	0	111.5	E249 D253 L254 K259	E249-Q257 PolarHBondContact OE1-NE2 3.4Å; D253-Q257 WeakPolarHBondContact O-CG 3.47Å; D253-Q257 PolarHBondContact O-N 3.28Å; L254-Q257 PolarHBondContact O-N 2.92Å; Q257-K259 PolarHBondContact O-N 3.21Å
258	R	90.6	Very high	93.2	Very high	129 Å²	129	54.8 Å²	54.8	49%	0.487	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-5.3	176	-62.9	-174	83.9	92.5	-3.5	114.3	V223 L224 L254 A255 K256 N260 M263	V223-R258 WeakPolarHBondContact O-CD 3.45Å; L224-R258 PolarHBondContact O-NH1 3.11Å; L224-R258 PolarHBondContact O-NH2 3.21Å; L254-R258 WeakPolarHBondContact O-CG 3.43Å; L254-R258 PolarHBondContact O-N 3.13Å; L254-R258 VanDerWaalsContact O-N 3.11Å; A255-R258 PolarHBondContact O-N 2.95Å; K256-R258 VanDerWaalsContact C-N 3.26Å; K256-R258 PolarHBondContact O-N 2.98Å; R258-N260 PolarHBondContact O-N 3.5Å; R258-N260 VanDerWaalsContact O-N 3.14Å; R258-M263 HydrophobicContact CB-CE 4.46Å
259	K	92.6	Very high	92.7	Very high	179 Å²	179	58.6 Å²	58.6	78%	0.778	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	30.1	-179.8	-56.5	179.1	-177.9	177.8	0	113.8	A255 K256 Q257 V261	A255-K259 PolarHBondContact O-N 2.92Å; K256-K259 PolarHBondContact O-N 2.95Å; Q257-K259 PolarHBondContact O-N 3.21Å; K259-V261 PolarHBondContact O-N 3.38Å
260	N	90.1	Very high	92.1	Very high	53 Å²	53	57.7 Å²	57.7	28%	0.283	27%	0.272	S	S	.	.			trans	-88.7	101	177.9	-173.4	-40.7	0	0	0	110.1	A255 R258 W262 M263 I264	A255-N260 PolarHBondContact O-N 3.39Å; R258-N260 PolarHBondContact O-N 3.5Å; R258-N260 VanDerWaalsContact O-N 3.14Å; N260-W262 VanDerWaalsContact C-N 3.26Å; N260-W262 PolarHBondContact O-N 2.94Å; N260-W262 WeakPolarHBondContact OD1-CB 3.24Å; N260-W262 PolarHBondContact OD1-N 3.1Å; N260-W262 VanDerWaalsContact OD1-N 3.11Å; N260-M263 HydrophobicContact CB-CB 4.2Å; N260-M263 HydrophobicContact CB-CE 3.38Å; N260-M263 HydrophobicContact CB-CG 4.17Å; N260-M263 PolarHBondContact O-N 3.32Å; N260-M263 PolarHBondContact OD1-N 2.75Å; N260-M263 VanDerWaalsContact OD1-N 3.11Å; N260-I264 WeakPolarHBondContact O-CD1 3.37Å; N260-I264 VanDerWaalsContact O-CG1 3.24Å; N260-I264 WeakPolarHBondContact O-CG1 3.3Å; N260-I264 PolarHBondContact O-N 3.34Å
261	V	92.1	Very high	91.6	Very high	99 Å²	99	60.3 Å²	60.3	60%	0.6	28%	0.281	S	S	*	.	H	α-helix	trans	-56.1	-39.4	-176.8	179.4	0	0	0	0	112.4	K259 N265	K259-V261 PolarHBondContact O-N 3.38Å; V261-N265 WeakPolarHBondContact O-CB 3.37Å; V261-N265 VanDerWaalsContact O-CG 3.22Å; V261-N265 PolarHBondContact O-N 3.44Å; V261-N265 PolarHBondContact O-ND2 2.98Å
262	W	92.9	Very high	90.8	Very high	110 Å²	110	62.1 Å²	62.1	42%	0.417	29%	0.289	S	S	.	.	H	α-helix	trans	-65.2	-48.8	179.8	-178.3	91.7	0	0	0	111.3	T228 I231 N260 I264 N265 H266	T228-W262 HydrophobicContact CG2-CD2 4.26Å; T228-W262 HydrophobicContact CG2-CE3 3.44Å; T228-W262 VanDerWaalsContact CG2-CE3 3.44Å; T228-W262 HydrophobicContact CG2-CH2 4.18Å; T228-W262 HydrophobicContact CG2-CZ3 3.41Å; T228-W262 VanDerWaalsContact CG2-CZ3 3.41Å; I231-W262 HydrophobicContact CD1-CZ3 4.49Å; I231-W262 HydrophobicContact CG2-CZ3 4.44Å; N260-W262 VanDerWaalsContact C-N 3.26Å; N260-W262 PolarHBondContact O-N 2.94Å; N260-W262 WeakPolarHBondContact OD1-CB 3.24Å; N260-W262 PolarHBondContact OD1-N 3.1Å; N260-W262 VanDerWaalsContact OD1-N 3.11Å; W262-I264 VanDerWaalsContact C-N 3.33Å; W262-I264 PolarHBondContact O-N 2.87Å; W262-N265 PolarHBondContact O-N 3.06Å; W262-H266 HydrophobicContact CH2-CB 4.4Å; W262-H266 AromaticContact CH2-CD2 3.61Å; W262-H266 HydrophobicContact CZ2-CB 4.43Å; W262-H266 AromaticContact CZ2-CD2 3.94Å; W262-H266 HydrophobicContact CZ3-CB 4.45Å; W262-H266 VanDerWaalsContact O-CB 3.3Å; W262-H266 WeakPolarHBondContact O-CB 3.41Å; W262-H266 PolarHBondContact O-N 3.06Å
263	M	93.4	Very high	89.6	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-62.2	-42.4	179.4	-67.1	-165	-65	0	0	111.4	V223 T228 I231 A255 R258 N260 H266 L267	V223-M263 HydrophobicContact CG1-CE 4.18Å; V223-M263 HydrophobicContact CG1-SD 4.25Å; V223-M263 HydrophobicContact CG2-SD 4.49Å; T228-M263 HydrophobicContact CG2-CG 4.46Å; I231-M263 HydrophobicContact CD1-CG 3.87Å; I231-M263 HydrophobicContact CD1-SD 3.45Å; I231-M263 WeakPolarHBondContact CD1-SD 3.23Å; A255-M263 HydrophobicContact CB-CB 3.89Å; R258-M263 HydrophobicContact CB-CE 4.46Å; N260-M263 HydrophobicContact CB-CB 4.2Å; N260-M263 HydrophobicContact CB-CE 3.38Å; N260-M263 HydrophobicContact CB-CG 4.17Å; N260-M263 PolarHBondContact O-N 3.32Å; N260-M263 PolarHBondContact OD1-N 2.75Å; N260-M263 VanDerWaalsContact OD1-N 3.11Å; M263-H266 PolarHBondContact O-N 2.95Å; M263-L267 VanDerWaalsContact O-CB 3.26Å; M263-L267 WeakPolarHBondContact O-CB 3.36Å; M263-L267 WeakPolarHBondContact O-CD1 3.49Å; M263-L267 WeakPolarHBondContact O-CG 3.4Å; M263-L267 PolarHBondContact O-N 2.67Å
264	I	93.3	Very high	88.5	Confident	29 Å²	29	66 Å²	66	15%	0.149	32%	0.317	C	S	.	.	H	α-helix	trans	-59.6	-52.5	178	-65.2	162.7	0	0	0	110.3	L252 A255 K256 N260 W262 H266 Q268	L252-I264 HydrophobicContact CD1-CG2 4.22Å; A255-I264 HydrophobicContact CB-CG1 4.04Å; K256-I264 HydrophobicContact CG-CD1 4.31Å; K256-I264 HydrophobicContact CG-CG1 4.21Å; N260-I264 WeakPolarHBondContact O-CD1 3.37Å; N260-I264 VanDerWaalsContact O-CG1 3.24Å; N260-I264 WeakPolarHBondContact O-CG1 3.3Å; N260-I264 PolarHBondContact O-N 3.34Å; W262-I264 VanDerWaalsContact C-N 3.33Å; W262-I264 PolarHBondContact O-N 2.87Å; I264-H266 PolarHBondContact O-N 3Å; I264-Q268 HydrophobicContact CG2-CG 4.46Å; I264-Q268 VanDerWaalsContact O-CB 3.3Å; I264-Q268 WeakPolarHBondContact O-CB 3.3Å; I264-Q268 WeakPolarHBondContact O-CG 3.31Å; I264-Q268 PolarHBondContact O-N 3.28Å
265	N	89.9	Confident	87	Confident	76 Å²	76	68.3 Å²	68.3	41%	0.406	34%	0.342	S	S	.	.	H	α-helix	trans	-61.7	-45.9	-179.1	-71	-14.6	0	0	0	111.1	V261 W262 Q268 E269	V261-N265 WeakPolarHBondContact O-CB 3.37Å; V261-N265 VanDerWaalsContact O-CG 3.22Å; V261-N265 PolarHBondContact O-N 3.44Å; V261-N265 PolarHBondContact O-ND2 2.98Å; W262-N265 PolarHBondContact O-N 3.06Å; N265-Q268 PolarHBondContact O-N 2.98Å; N265-E269 WeakPolarHBondContact O-CB 3.47Å; N265-E269 VanDerWaalsContact O-CG 3.27Å; N265-E269 WeakPolarHBondContact O-CG 3.48Å; N265-E269 PolarHBondContact O-N 3.17Å
266	H	89.9	Confident	85.5	Confident	48 Å²	48	74.8 Å²	74.8	22%	0.222	37%	0.367	C	S	.	.	H	α-helix	trans	-67.5	-41.2	-176.4	-161.4	53.7	0	0	0	112.6	S232 W262 M263 I264 E269 A270	S232-H266 PolarHBondContact OG-NE2 3.32Å; W262-H266 HydrophobicContact CH2-CB 4.4Å; W262-H266 AromaticContact CH2-CD2 3.61Å; W262-H266 HydrophobicContact CZ2-CB 4.43Å; W262-H266 AromaticContact CZ2-CD2 3.94Å; W262-H266 HydrophobicContact CZ3-CB 4.45Å; W262-H266 VanDerWaalsContact O-CB 3.3Å; W262-H266 WeakPolarHBondContact O-CB 3.41Å; W262-H266 PolarHBondContact O-N 3.06Å; M263-H266 PolarHBondContact O-N 2.95Å; I264-H266 PolarHBondContact O-N 3Å; H266-E269 IonicContact ND1-OE2 3.67Å; H266-E269 PolarHBondContact O-N 2.82Å; H266-A270 WeakPolarHBondContact O-CB 3.36Å; H266-A270 PolarHBondContact O-N 3.08Å
267	L	91.8	Very high	84	Confident	0 Å²	0	72.5 Å²	72.5	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-66.8	-39	174.3	-70.1	169.2	0	0	0	111.8	L219 V223 I231 L235 V241 P251 L252 A255 M263 A270 R271	L219-L267 HydrophobicContact CD1-CD2 4.15Å; L219-L267 HydrophobicContact CD2-CD2 4.08Å; L219-L267 HydrophobicContact CG-CD2 4.4Å; V223-L267 HydrophobicContact CG2-CD1 3.9Å; I231-L267 HydrophobicContact CG2-CD2 4.33Å; L235-L267 HydrophobicContact CD1-CD2 4.22Å; L235-L267 HydrophobicContact CD2-CD2 4.11Å; V241-L267 HydrophobicContact CG1-CD2 4.11Å; P251-L267 HydrophobicContact CB-CD1 4.45Å; L252-L267 HydrophobicContact CD1-CB 4.03Å; A255-L267 HydrophobicContact CB-CD1 3.73Å; M263-L267 VanDerWaalsContact O-CB 3.26Å; M263-L267 WeakPolarHBondContact O-CB 3.36Å; M263-L267 WeakPolarHBondContact O-CD1 3.49Å; M263-L267 WeakPolarHBondContact O-CG 3.4Å; M263-L267 PolarHBondContact O-N 2.67Å; L267-A270 PolarHBondContact O-N 3.34Å; L267-R271 WeakPolarHBondContact O-CB 3.26Å; L267-R271 PolarHBondContact O-N 2.84Å
268	Q	89.4	Confident	82.3	Confident	66 Å²	66	73 Å²	73	31%	0.308	38%	0.376	S	S	.	.	H	α-helix	trans	-65	-42.1	174.7	-77.1	175.4	-8.8	0	0	112.3	L252 I264 N265 R271 Q272	L252-Q268 HydrophobicContact CD1-CG 3.85Å; L252-Q268 HydrophobicContact CD2-CG 3.96Å; I264-Q268 HydrophobicContact CG2-CG 4.46Å; I264-Q268 VanDerWaalsContact O-CB 3.3Å; I264-Q268 WeakPolarHBondContact O-CB 3.3Å; I264-Q268 WeakPolarHBondContact O-CG 3.31Å; I264-Q268 PolarHBondContact O-N 3.28Å; N265-Q268 PolarHBondContact O-N 2.98Å; Q268-R271 PolarHBondContact O-N 3.17Å; Q268-Q272 WeakPolarHBondContact O-CB 3.47Å; Q268-Q272 VanDerWaalsContact O-CG 3.24Å; Q268-Q272 WeakPolarHBondContact O-CG 3.49Å; Q268-Q272 PolarHBondContact O-N 3.39Å
269	E	84.9	Confident	81.1	Confident	113 Å²	113	68.8 Å²	68.8	53%	0.528	37%	0.365	S	S	.	.	H	α-helix	trans	-60.6	-46.1	174.7	-76.2	172.2	179.5	0	0	110.9	N265 H266 R271 Q272 A273	N265-E269 WeakPolarHBondContact O-CB 3.47Å; N265-E269 VanDerWaalsContact O-CG 3.27Å; N265-E269 WeakPolarHBondContact O-CG 3.48Å; N265-E269 PolarHBondContact O-N 3.17Å; H266-E269 IonicContact ND1-OE2 3.67Å; H266-E269 PolarHBondContact O-N 2.82Å; E269-R271 PolarHBondContact O-N 3.28Å; E269-Q272 PolarHBondContact O-N 2.8Å; E269-A273 WeakPolarHBondContact O-CB 3.33Å; E269-A273 PolarHBondContact O-N 2.93Å
270	A	85.3	Confident	80.1	Confident	18 Å²	18	64.1 Å²	64.1	15%	0.149	36%	0.355	C	S	.	.	H	α-helix	trans	-65.3	-37.3	177.4	0	0	0	0	0	112.9	L235 V241 H266 L267 K274	L235-A270 HydrophobicContact CB-CB 4.44Å; L235-A270 HydrophobicContact CD1-CB 3.85Å; L235-A270 HydrophobicContact CD2-CB 3.8Å; L235-A270 HydrophobicContact CG-CB 4.23Å; V241-A270 HydrophobicContact CG1-CB 4.35Å; H266-A270 WeakPolarHBondContact O-CB 3.36Å; H266-A270 PolarHBondContact O-N 3.08Å; L267-A270 PolarHBondContact O-N 3.34Å; A270-K274 WeakPolarHBondContact O-CG 3.5Å; A270-K274 PolarHBondContact O-N 3.28Å
271	R	84.2	Confident	79.1	Confident	67 Å²	67	69.8 Å²	69.8	25%	0.253	37%	0.374	S	S	.	.	H	α-helix	trans	-62.3	-47.8	173	-170.7	178.7	-169.6	-129.4	12.8	112.2	V241 D242 L267 Q268 E269 A273 K274 Y276 D277	V241-R271 HydrophobicContact CG2-CB 3.65Å; V241-R271 HydrophobicContact CG2-CG 3.81Å; D242-R271 IonicContact OD1-CZ 3.62Å; D242-R271 VanDerWaalsContact OD1-CZ 3.24Å; D242-R271 IonicContact OD1-NE 3.25Å; D242-R271 PolarHBondContact OD1-NE 3.48Å; D242-R271 IonicContact OD1-NH2 3.78Å; D242-R271 PolarHBondContact OD1-NH2 2.96Å; D242-R271 IonicContact OD2-NE 3.45Å; D242-R271 PolarHBondContact OD2-NE 3.22Å; L267-R271 WeakPolarHBondContact O-CB 3.26Å; L267-R271 PolarHBondContact O-N 2.84Å; Q268-R271 PolarHBondContact O-N 3.17Å; E269-R271 PolarHBondContact O-N 3.28Å; R271-A273 VanDerWaalsContact C-N 3.34Å; R271-A273 PolarHBondContact O-N 3.09Å; R271-K274 PolarHBondContact O-N 3.17Å; R271-Y276 HydrophobicContact CG-CD2 4.44Å; R271-D277 IonicContact CZ-OD1 3.48Å; R271-D277 IonicContact NH1-OD1 3.6Å; R271-D277 PolarHBondContact NH1-OD1 3.3Å; R271-D277 IonicContact NH1-OD2 2.65Å
272	Q	79.3	Confident	78	Confident	38 Å²	38	71.7 Å²	71.7	18%	0.178	38%	0.38	C	S	.	.	H	α-helix	trans	-64.8	-38.3	179	-72.6	170	26.9	0	0	111.7	Q268 E269 K274 G275 D277 K283 M287	Q268-Q272 WeakPolarHBondContact O-CB 3.47Å; Q268-Q272 VanDerWaalsContact O-CG 3.24Å; Q268-Q272 WeakPolarHBondContact O-CG 3.49Å; Q268-Q272 PolarHBondContact O-N 3.39Å; E269-Q272 PolarHBondContact O-N 2.8Å; Q272-K274 PolarHBondContact O-N 3.14Å; Q272-G275 PolarHBondContact O-N 2.93Å; Q272-D277 HydrophobicContact CG-CB 4.34Å; Q272-D277 VanDerWaalsContact CG-OD2 3.31Å; Q272-D277 WeakPolarHBondContact CG-OD2 3.39Å; Q272-K283 VanDerWaalsContact CD-NZ 3.34Å; Q272-M287 HydrophobicContact CB-CE 3.59Å; Q272-M287 HydrophobicContact CB-SD 3.56Å; Q272-M287 VanDerWaalsContact CB-SD 3.56Å
273	A	70.6	Confident	77	Confident	73 Å²	73	70.6 Å²	70.6	60%	0.603	38%	0.378	S	S	*	.	H	α-helix	trans	-62.2	-27.5	177.1	0	0	0	0	0	112.8	E269 R271 M287	E269-A273 WeakPolarHBondContact O-CB 3.33Å; E269-A273 PolarHBondContact O-N 2.93Å; R271-A273 VanDerWaalsContact C-N 3.34Å; R271-A273 PolarHBondContact O-N 3.09Å; A273-M287 HydrophobicContact CB-CE 3.89Å; A273-M287 VanDerWaalsContact N-CE 3.32Å
274	K	70.3	Confident	75.9	Confident	70 Å²	70	79.1 Å²	79.1	30%	0.304	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-2	176.4	-66.9	-177.5	-176.7	-176	0	114	N238 A239 A270 R271 Q272 Y276	N238-K274 PolarHBondContact O-NZ 3.36Å; A239-K274 PolarHBondContact O-NZ 3.38Å; A270-K274 WeakPolarHBondContact O-CG 3.5Å; A270-K274 PolarHBondContact O-N 3.28Å; R271-K274 PolarHBondContact O-N 3.17Å; Q272-K274 PolarHBondContact O-N 3.14Å; K274-Y276 HydrophobicContact CB-CD2 3.6Å; K274-Y276 HydrophobicContact CB-CE2 3.47Å; K274-Y276 VanDerWaalsContact CB-CE2 3.47Å; K274-Y276 HydrophobicContact CD-CE2 4.02Å; K274-Y276 HydrophobicContact CG-CE2 4.37Å
275	G	65.3	Low	74.9	Confident	53 Å²	53	79.9 Å²	79.9	55%	0.546	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.8	17.5	173.3	0	0	0	0	0	115.6	Q272	Q272-G275 PolarHBondContact O-N 2.93Å
276	Y	62.3	Low	74.1	Confident	135 Å²	135	81.2 Å²	81.2	53%	0.529	42%	0.416	S	S	.	.			trans	-75.3	-25.8	179	-68.2	-67.7	0	0	0	113.7	R271 K274	R271-Y276 HydrophobicContact CG-CD2 4.44Å; K274-Y276 HydrophobicContact CB-CD2 3.6Å; K274-Y276 HydrophobicContact CB-CE2 3.47Å; K274-Y276 VanDerWaalsContact CB-CE2 3.47Å; K274-Y276 HydrophobicContact CD-CE2 4.02Å; K274-Y276 HydrophobicContact CG-CE2 4.37Å
277	D	63.1	Low	73.1	Confident	50 Å²	50	81.7 Å²	81.7	27%	0.267	42%	0.419	S	S	.	.	S	Bend	trans	-90.2	155.6	168.2	-65.2	-36.4	0	0	0	109.6	R271 Q272 P279	R271-D277 IonicContact CZ-OD1 3.48Å; R271-D277 IonicContact NH1-OD1 3.6Å; R271-D277 PolarHBondContact NH1-OD1 3.3Å; R271-D277 IonicContact NH1-OD2 2.65Å; Q272-D277 HydrophobicContact CG-CB 4.34Å; Q272-D277 VanDerWaalsContact CG-OD2 3.31Å; Q272-D277 WeakPolarHBondContact CG-OD2 3.39Å; D277-P279 WeakPolarHBondContact O-CD 3.38Å
278	S	57.9	Low	72.4	Confident	127 Å²	127	85 Å²	85	89%	0.888	44%	0.437	S	S	*	.			trans	-91.5	81.3	168.4	-65.5	0	0	0	0	109.8
279	P	64.3	Low	71.8	Confident	40 Å²	40	88.6 Å²	88.6	26%	0.26	45%	0.452	S	S	.	.			trans	-64.1	149.2	177	28	-35.6	0	0	0	110	D277 K283 R284	D277-P279 WeakPolarHBondContact O-CD 3.38Å; P279-K283 HydrophobicContact CB-CB 3.94Å; P279-K283 HydrophobicContact CB-CD 4.15Å; P279-K283 HydrophobicContact CB-CG 4.08Å; P279-R284 HydrophobicContact CG-CB 4.08Å
280	S	71.1	Confident	71.7	Confident	80 Å²	80	88.4 Å²	88.4	56%	0.559	45%	0.451	S	S	*	.			trans	-54.4	151.3	165.6	65	0	0	0	0	110.1	L282 K283 R284	S280-L282 PolarHBondContact O-N 2.67Å; S280-L282 VanDerWaalsContact O-N 3.13Å; S280-K283 WeakPolarHBondContact O-CA 3.47Å; S280-K283 PolarHBondContact O-N 3.01Å; S280-R284 PolarHBondContact O-N 3.4Å
281	Y	69.8	Low	71.7	Confident	173 Å²	173	90.7 Å²	90.7	68%	0.678	46%	0.458	S	S	*	.	H	α-helix	trans	-50.1	-42.5	-177.1	178.9	-102.5	0	0	0	113.2	K283 R284 L285	Y281-K283 PolarHBondContact O-N 3.02Å; Y281-R284 WeakPolarHBondContact O-CB 3.39Å; Y281-R284 PolarHBondContact O-N 2.88Å; Y281-L285 HydrophobicContact CD1-CD1 3.98Å; Y281-L285 HydrophobicContact CE1-CD1 3.42Å; Y281-L285 VanDerWaalsContact CE1-CD1 3.42Å; Y281-L285 HydrophobicContact CE1-CG 4.28Å; Y281-L285 PolarHBondContact O-N 3.5Å
282	L	68.8	Low	71.7	Confident	138 Å²	138	89.5 Å²	89.5	72%	0.723	45%	0.453	S	S	*	.	H	α-helix	trans	-62.3	-40.4	175.4	-95.4	142.8	0	0	0	113.4	S280 L285 K286	S280-L282 PolarHBondContact O-N 2.67Å; S280-L282 VanDerWaalsContact O-N 3.13Å; L282-L285 PolarHBondContact O-N 3.34Å; L282-K286 WeakPolarHBondContact O-CB 3.49Å; L282-K286 PolarHBondContact O-N 3.16Å
283	K	71.3	Confident	72	Confident	88 Å²	88	92.3 Å²	92.3	38%	0.383	47%	0.466	S	S	.	.	H	α-helix	trans	-71.3	-35.3	178.6	-170	177	-178.9	-169.7	0	110.8	Q272 P279 S280 Y281 K286 M287	Q272-K283 VanDerWaalsContact CD-NZ 3.34Å; P279-K283 HydrophobicContact CB-CB 3.94Å; P279-K283 HydrophobicContact CB-CD 4.15Å; P279-K283 HydrophobicContact CB-CG 4.08Å; S280-K283 WeakPolarHBondContact O-CA 3.47Å; S280-K283 PolarHBondContact O-N 3.01Å; Y281-K283 PolarHBondContact O-N 3.02Å; K283-K286 PolarHBondContact O-N 3.47Å; K283-M287 WeakPolarHBondContact O-CG 3.35Å; K283-M287 PolarHBondContact O-N 3.49Å
284	R	71.6	Confident	72.8	Confident	180 Å²	180	94.6 Å²	94.6	68%	0.679	46%	0.463	S	S	*	.	H	α-helix	trans	-60.3	-49.3	171.9	-171.2	177.6	176.2	176.8	-0.5	111.8	P279 S280 Y281 K286 M287 D288	P279-R284 HydrophobicContact CG-CB 4.08Å; S280-R284 PolarHBondContact O-N 3.4Å; Y281-R284 WeakPolarHBondContact O-CB 3.39Å; Y281-R284 PolarHBondContact O-N 2.88Å; R284-K286 VanDerWaalsContact C-N 3.31Å; R284-K286 PolarHBondContact O-N 3.38Å; R284-M287 PolarHBondContact O-N 3.46Å; R284-D288 PolarHBondContact O-N 2.88Å
285	L	72.2	Confident	73.7	Confident	44 Å²	44	92.7 Å²	92.7	23%	0.23	46%	0.457	C	S	.	.	H	α-helix	trans	-60	-41.2	175.3	-75.1	172.7	0	0	0	112	Y281 L282 M287 D288 F291	Y281-L285 HydrophobicContact CD1-CD1 3.98Å; Y281-L285 HydrophobicContact CE1-CD1 3.42Å; Y281-L285 VanDerWaalsContact CE1-CD1 3.42Å; Y281-L285 HydrophobicContact CE1-CG 4.28Å; Y281-L285 PolarHBondContact O-N 3.5Å; L282-L285 PolarHBondContact O-N 3.34Å; L285-M287 VanDerWaalsContact C-N 3.28Å; L285-M287 PolarHBondContact O-N 3.05Å; L285-D288 PolarHBondContact O-N 3.31Å; L285-F291 HydrophobicContact CB-CD1 4.12Å; L285-F291 HydrophobicContact CB-CE1 4.07Å; L285-F291 HydrophobicContact CD2-CD1 4.26Å; L285-F291 HydrophobicContact CD2-CD2 3.94Å; L285-F291 HydrophobicContact CD2-CE1 4.33Å; L285-F291 HydrophobicContact CD2-CE2 4.04Å; L285-F291 HydrophobicContact CD2-CG 4.05Å; L285-F291 HydrophobicContact CD2-CZ 4.23Å; L285-F291 WeakPolarHBondContact O-CD1 3.48Å
286	K	71.9	Confident	74.8	Confident	105 Å²	105	90.2 Å²	90.2	46%	0.457	43%	0.431	S	S	.	.	H	α-helix	trans	-66	-28.6	178	-175.3	173.2	170.5	175	0	113.2	L282 K283 R284 R292 A338 F339	L282-K286 WeakPolarHBondContact O-CB 3.49Å; L282-K286 PolarHBondContact O-N 3.16Å; K283-K286 PolarHBondContact O-N 3.47Å; R284-K286 VanDerWaalsContact C-N 3.31Å; R284-K286 PolarHBondContact O-N 3.38Å; K286-R292 WeakPolarHBondContact O-CD 3.41Å; K286-A338 WeakPolarHBondContact CE-O 3.33Å; K286-A338 WeakPolarHBondContact CG-O 3.45Å; K286-F339 HydrophobicContact CB-CE1 4.29Å; K286-F339 HydrophobicContact CG-CE1 4.49Å
287	M	69.5	Low	76.1	Confident	57 Å²	57	86.6 Å²	86.6	28%	0.281	42%	0.42	S	S	.	.	H	α-helix	trans	-89.5	-21.4	179	-71.6	-162.8	67.2	0	0	113.8	Q272 A273 K283 R284 L285 K289	Q272-M287 HydrophobicContact CB-CE 3.59Å; Q272-M287 HydrophobicContact CB-SD 3.56Å; Q272-M287 VanDerWaalsContact CB-SD 3.56Å; A273-M287 HydrophobicContact CB-CE 3.89Å; A273-M287 VanDerWaalsContact N-CE 3.32Å; K283-M287 WeakPolarHBondContact O-CG 3.35Å; K283-M287 PolarHBondContact O-N 3.49Å; R284-M287 PolarHBondContact O-N 3.46Å; L285-M287 VanDerWaalsContact C-N 3.28Å; L285-M287 PolarHBondContact O-N 3.05Å; M287-K289 PolarHBondContact O-N 3.33Å; M287-K289 VanDerWaalsContact O-N 3.1Å
288	D	77.3	Confident	77.5	Confident	71 Å²	71	85.6 Å²	85.6	38%	0.38	42%	0.422	S	S	.	.			trans	-65.1	110.4	177.7	-178.5	-18.7	0	0	0	110.7	R284 L285 E290 F291 R292	R284-D288 PolarHBondContact O-N 2.88Å; L285-D288 PolarHBondContact O-N 3.31Å; D288-E290 VanDerWaalsContact C-N 3.3Å; D288-E290 PolarHBondContact O-N 3.42Å; D288-E290 WeakPolarHBondContact OD1-CA 3.5Å; D288-E290 WeakPolarHBondContact OD1-CB 3.37Å; D288-E290 PolarHBondContact OD1-N 3.01Å; D288-F291 HydrophobicContact CB-CB 3.8Å; D288-F291 PolarHBondContact O-N 3.41Å; D288-F291 PolarHBondContact OD1-N 3.29Å; D288-R292 WeakPolarHBondContact O-CB 3.27Å; D288-R292 VanDerWaalsContact O-CG 3.23Å; D288-R292 WeakPolarHBondContact O-CG 3.28Å; D288-R292 PolarHBondContact O-N 3.47Å
289	K	77.4	Confident	79.1	Confident	140 Å²	140	80.4 Å²	80.4	61%	0.609	39%	0.385	S	S	*	.	H	α-helix	trans	-60.6	-38.9	-179.3	-170.9	177.4	-179.7	175.3	0	112.1	M287 Q293 M344	M287-K289 PolarHBondContact O-N 3.33Å; M287-K289 VanDerWaalsContact O-N 3.1Å; K289-Q293 VanDerWaalsContact O-CB 3.31Å; K289-Q293 WeakPolarHBondContact O-CB 3.32Å; K289-Q293 PolarHBondContact O-N 3.19Å; K289-M344 HydrophobicContact CG-CE 4.48Å; K289-M344 HydrophobicContact CG-SD 3.67Å
290	E	82.5	Confident	80.6	Confident	110 Å²	110	78.9 Å²	78.9	51%	0.514	38%	0.375	S	S	.	.	H	α-helix	trans	-69.8	-43.7	180	-167.4	-170.2	154.1	0	0	110.4	D288 Q293 K294	D288-E290 VanDerWaalsContact C-N 3.3Å; D288-E290 PolarHBondContact O-N 3.42Å; D288-E290 WeakPolarHBondContact OD1-CA 3.5Å; D288-E290 WeakPolarHBondContact OD1-CB 3.37Å; D288-E290 PolarHBondContact OD1-N 3.01Å; E290-Q293 PolarHBondContact O-N 3.07Å; E290-K294 WeakPolarHBondContact O-CG 3.19Å; E290-K294 PolarHBondContact O-N 3.39Å; E290-K294 WeakPolarHBondContact OE1-CE 3.46Å; E290-K294 IonicContact OE1-NZ 3.57Å; E290-K294 PolarHBondContact OE1-NZ 2.86Å
291	F	85	Confident	81.8	Confident	66 Å²	66	77.8 Å²	77.8	29%	0.289	36%	0.361	S	S	.	.	H	α-helix	trans	-60.4	-49.5	175.6	-179	-100.8	0	0	0	111.6	L285 D288 Q293 K294 V295 F339	L285-F291 HydrophobicContact CB-CD1 4.12Å; L285-F291 HydrophobicContact CB-CE1 4.07Å; L285-F291 HydrophobicContact CD2-CD1 4.26Å; L285-F291 HydrophobicContact CD2-CD2 3.94Å; L285-F291 HydrophobicContact CD2-CE1 4.33Å; L285-F291 HydrophobicContact CD2-CE2 4.04Å; L285-F291 HydrophobicContact CD2-CG 4.05Å; L285-F291 HydrophobicContact CD2-CZ 4.23Å; L285-F291 WeakPolarHBondContact O-CD1 3.48Å; D288-F291 HydrophobicContact CB-CB 3.8Å; D288-F291 PolarHBondContact O-N 3.41Å; D288-F291 PolarHBondContact OD1-N 3.29Å; F291-Q293 VanDerWaalsContact C-N 3.3Å; F291-Q293 PolarHBondContact O-N 2.88Å; F291-K294 WeakPolarHBondContact O-CB 3.16Å; F291-K294 PolarHBondContact O-N 3Å; F291-K294 VanDerWaalsContact O-N 3.13Å; F291-V295 HydrophobicContact CD1-CG2 4.08Å; F291-V295 HydrophobicContact CE1-CG2 3.65Å; F291-V295 HydrophobicContact CE2-CG2 4.29Å; F291-V295 HydrophobicContact CZ-CG2 3.76Å; F291-V295 WeakPolarHBondContact O-CG2 3.37Å; F291-V295 PolarHBondContact O-N 3.47Å; F291-F339 HydrophobicContact CD1-CE1 4.34Å; F291-F339 HydrophobicContact CE1-CD1 4.37Å; F291-F339 AromaticContact CE1-CE1 3.85Å; F291-F339 HydrophobicContact CE1-CE1 3.85Å; F291-F339 HydrophobicContact CE1-CZ 4.39Å
292	R	85.2	Confident	83	Confident	41 Å²	41	73.4 Å²	73.4	16%	0.155	35%	0.352	C	S	.	.	H	α-helix	trans	-56.8	-44.3	175.7	-70.1	172.5	82.2	177.1	5.9	111.7	K286 D288 K294 V295 M296 F339 D341 M344	K286-R292 WeakPolarHBondContact O-CD 3.41Å; D288-R292 WeakPolarHBondContact O-CB 3.27Å; D288-R292 VanDerWaalsContact O-CG 3.23Å; D288-R292 WeakPolarHBondContact O-CG 3.28Å; D288-R292 PolarHBondContact O-N 3.47Å; R292-K294 VanDerWaalsContact C-N 3.34Å; R292-K294 PolarHBondContact O-N 3.31Å; R292-V295 PolarHBondContact O-N 3.25Å; R292-M296 WeakPolarHBondContact O-CB 3.32Å; R292-M296 VanDerWaalsContact O-CG 3.28Å; R292-M296 WeakPolarHBondContact O-CG 3.34Å; R292-M296 PolarHBondContact O-N 3.37Å; R292-F339 HydrophobicContact CG-CB 4.48Å; R292-F339 HydrophobicContact CG-CD1 4.19Å; R292-F339 PolarHBondContact NE-O 3.39Å; R292-F339 PolarHBondContact NH2-O 2.53Å; R292-D341 IonicContact CZ-OD2 2.84Å; R292-D341 IonicContact NH1-OD2 3.42Å; R292-D341 PolarHBondContact NH1-OD2 2.9Å; R292-D341 IonicContact NH2-OD2 3.05Å; R292-D341 PolarHBondContact NH2-OD2 3.01Å; R292-M344 HydrophobicContact CB-CE 3.46Å; R292-M344 VanDerWaalsContact CB-CE 3.46Å; R292-M344 HydrophobicContact CG-CE 4.31Å
293	Q	84.7	Confident	84.2	Confident	97 Å²	97	68.7 Å²	68.7	45%	0.453	33%	0.329	S	S	.	.	H	α-helix	trans	-61.3	-42.1	177.3	-172.8	176.9	4.4	0	0	111.5	K289 E290 F291 M296 L297 M344 A347	K289-Q293 VanDerWaalsContact O-CB 3.31Å; K289-Q293 WeakPolarHBondContact O-CB 3.32Å; K289-Q293 PolarHBondContact O-N 3.19Å; E290-Q293 PolarHBondContact O-N 3.07Å; F291-Q293 VanDerWaalsContact C-N 3.3Å; F291-Q293 PolarHBondContact O-N 2.88Å; Q293-M296 PolarHBondContact O-N 3.3Å; Q293-L297 WeakPolarHBondContact O-CB 3.43Å; Q293-L297 PolarHBondContact O-N 3.5Å; Q293-M344 HydrophobicContact CB-SD 4.2Å; Q293-A347 HydrophobicContact CG-CB 4.17Å
294	K	88.1	Confident	85.4	Confident	122 Å²	122	65.3 Å²	65.3	53%	0.53	31%	0.314	S	S	.	.	H	α-helix	trans	-62.8	-43.6	174.3	-72.3	171.9	-176.4	166.5	0	112	E290 F291 R292 L297 G298	E290-K294 WeakPolarHBondContact O-CG 3.19Å; E290-K294 PolarHBondContact O-N 3.39Å; E290-K294 WeakPolarHBondContact OE1-CE 3.46Å; E290-K294 IonicContact OE1-NZ 3.57Å; E290-K294 PolarHBondContact OE1-NZ 2.86Å; F291-K294 WeakPolarHBondContact O-CB 3.16Å; F291-K294 PolarHBondContact O-N 3Å; F291-K294 VanDerWaalsContact O-N 3.13Å; R292-K294 VanDerWaalsContact C-N 3.34Å; R292-K294 PolarHBondContact O-N 3.31Å; K294-L297 PolarHBondContact O-N 3.43Å; K294-G298 PolarHBondContact O-N 3.11Å
295	V	89	Confident	86.5	Confident	30 Å²	30	61.1 Å²	61.1	18%	0.182	30%	0.299	C	S	.	.	H	α-helix	trans	-60.8	-46.4	175.3	173	0	0	0	0	110.6	F291 R292 L297 G298 T299 L335 F339	F291-V295 HydrophobicContact CD1-CG2 4.08Å; F291-V295 HydrophobicContact CE1-CG2 3.65Å; F291-V295 HydrophobicContact CE2-CG2 4.29Å; F291-V295 HydrophobicContact CZ-CG2 3.76Å; F291-V295 WeakPolarHBondContact O-CG2 3.37Å; F291-V295 PolarHBondContact O-N 3.47Å; R292-V295 PolarHBondContact O-N 3.25Å; V295-L297 VanDerWaalsContact C-N 3.34Å; V295-L297 PolarHBondContact O-N 2.99Å; V295-G298 PolarHBondContact O-N 3.43Å; V295-T299 WeakPolarHBondContact O-CB 3.1Å; V295-T299 PolarHBondContact O-N 2.73Å; V295-T299 PolarHBondContact O-OG1 2.78Å; V295-L335 HydrophobicContact CG1-CD2 4.48Å; V295-F339 HydrophobicContact CG1-CB 4.23Å; V295-F339 HydrophobicContact CG1-CD2 4.15Å; V295-F339 HydrophobicContact CG1-CG 4.22Å
296	M	88.7	Confident	87.7	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-61.7	-40.3	176.8	-72.1	178.5	74.7	0	0	112.4	R292 Q293 P300 F340 M344 L348	R292-M296 WeakPolarHBondContact O-CB 3.32Å; R292-M296 VanDerWaalsContact O-CG 3.28Å; R292-M296 WeakPolarHBondContact O-CG 3.34Å; R292-M296 PolarHBondContact O-N 3.37Å; Q293-M296 PolarHBondContact O-N 3.3Å; M296-P300 WeakPolarHBondContact O-CD 3.37Å; M296-F340 HydrophobicContact CB-CE1 4.35Å; M296-F340 HydrophobicContact CE-CB 4.16Å; M296-F340 HydrophobicContact CE-CD2 4.39Å; M296-F340 HydrophobicContact CE-CG 4.11Å; M296-F340 HydrophobicContact CG-CD1 3.42Å; M296-F340 VanDerWaalsContact CG-CD1 3.42Å; M296-F340 HydrophobicContact CG-CE1 3.64Å; M296-F340 HydrophobicContact CG-CG 3.95Å; M296-F340 HydrophobicContact CG-CZ 4.32Å; M296-F340 HydrophobicContact SD-CB 4.4Å; M296-F340 HydrophobicContact SD-CD1 4.3Å; M296-F340 HydrophobicContact SD-CG 4.36Å; M296-M344 HydrophobicContact CE-CB 4.05Å; M296-M344 WeakPolarHBondContact CE-O 3.31Å; M296-M344 HydrophobicContact SD-CB 3.73Å; M296-M344 HydrophobicContact SD-CE 4.09Å; M296-L348 HydrophobicContact CE-CB 4.32Å
297	L	89.1	Confident	88.8	Confident	59 Å²	59	58 Å²	58	31%	0.309	29%	0.288	S	S	.	.	H	α-helix	trans	-70.2	-38.9	178.4	-167.2	76.1	0	0	0	112.2	Q293 K294 V295 F301 L350 L354	Q293-L297 WeakPolarHBondContact O-CB 3.43Å; Q293-L297 PolarHBondContact O-N 3.5Å; K294-L297 PolarHBondContact O-N 3.43Å; V295-L297 VanDerWaalsContact C-N 3.34Å; V295-L297 PolarHBondContact O-N 2.99Å; L297-F301 WeakPolarHBondContact O-CD2 3.44Å; L297-L350 HydrophobicContact CD1-CG 4.32Å; L297-L354 HydrophobicContact CD1-CD1 4.2Å
298	G	91.7	Very high	89.9	Confident	30 Å²	30	55.2 Å²	55.2	31%	0.309	28%	0.275	S	S	.	.	H	α-helix	trans	-81.8	-30.8	-176.7	0	0	0	0	0	114.5	K294 V295 F301	K294-G298 PolarHBondContact O-N 3.11Å; V295-G298 PolarHBondContact O-N 3.43Å; G298-F301 WeakPolarHBondContact O-CB 3.48Å; G298-F301 PolarHBondContact O-N 2.88Å
299	T	92.7	Very high	90.7	Very high	17 Å²	17	55.8 Å²	55.8	10%	0.104	27%	0.274	C	S	.	.	H	α-helix	trans	-53.4	-45.4	-177.6	-61.5	0	0	0	0	112.8	V295 F301 V302 V303 L335 F340	V295-T299 WeakPolarHBondContact O-CB 3.1Å; V295-T299 PolarHBondContact O-N 2.73Å; V295-T299 PolarHBondContact O-OG1 2.78Å; T299-F301 VanDerWaalsContact C-N 3.28Å; T299-F301 PolarHBondContact O-N 3.41Å; T299-V302 PolarHBondContact O-N 3.15Å; T299-V303 HydrophobicContact CG2-CG2 3.9Å; T299-V303 WeakPolarHBondContact O-CG2 3.3Å; T299-V303 PolarHBondContact O-N 2.71Å; T299-L335 HydrophobicContact CG2-CD1 4.22Å; T299-F340 HydrophobicContact CG2-CZ 4.25Å
300	P	94.5	Very high	91.6	Very high	9 Å²	9	49.2 Å²	49.2	6%	0.058	25%	0.245	C	C	.	.	H	α-helix	trans	-58.1	-33.6	176.7	-27.5	36.5	0	0	0	114.8	M296 V302 I304 L348 I352 A355	M296-P300 WeakPolarHBondContact O-CD 3.37Å; P300-V302 PolarHBondContact O-N 2.93Å; P300-I304 WeakPolarHBondContact O-CB 3.41Å; P300-I304 WeakPolarHBondContact O-CD1 3.41Å; P300-I304 VanDerWaalsContact O-CG1 3.29Å; P300-I304 WeakPolarHBondContact O-CG1 3.34Å; P300-I304 PolarHBondContact O-N 2.85Å; P300-L348 HydrophobicContact CG-CD1 3.87Å; P300-I352 HydrophobicContact CB-CG1 4.04Å; P300-I352 HydrophobicContact CG-CG1 3.88Å; P300-A355 HydrophobicContact CB-CB 3.77Å
301	F	95.9	Very high	92	Very high	57 Å²	57	45.1 Å²	45.1	25%	0.25	23%	0.23	C	C	.	.	H	α-helix	trans	-61.7	-45.8	177.8	-73.8	-104.8	0	0	0	110.9	L297 G298 T299 W305 L354 A355 F358 W359	L297-F301 WeakPolarHBondContact O-CD2 3.44Å; G298-F301 WeakPolarHBondContact O-CB 3.48Å; G298-F301 PolarHBondContact O-N 2.88Å; T299-F301 VanDerWaalsContact C-N 3.28Å; T299-F301 PolarHBondContact O-N 3.41Å; F301-W305 WeakPolarHBondContact O-CB 3.25Å; F301-W305 PolarHBondContact O-N 3.49Å; F301-L354 HydrophobicContact CE2-CB 4.13Å; F301-L354 HydrophobicContact CZ-CB 3.8Å; F301-A355 HydrophobicContact CB-CB 4.29Å; F301-A355 HydrophobicContact CD1-CB 4.14Å; F301-A355 HydrophobicContact CD2-CB 3.62Å; F301-A355 HydrophobicContact CE1-CB 4.41Å; F301-A355 HydrophobicContact CE2-CB 3.9Å; F301-A355 HydrophobicContact CG-CB 3.74Å; F301-A355 HydrophobicContact CZ-CB 4.3Å; F301-F358 HydrophobicContact CD1-CB 4.06Å; F301-F358 AromaticContact CD1-CD1 3.95Å; F301-F358 HydrophobicContact CD1-CD1 3.95Å; F301-F358 AromaticContact CD1-CG 3.99Å; F301-F358 HydrophobicContact CD1-CG 3.99Å; F301-F358 HydrophobicContact CE1-CB 3.54Å; F301-F358 HydrophobicContact CE1-CD1 4.19Å; F301-F358 HydrophobicContact CE1-CD2 4.28Å; F301-F358 AromaticContact CE1-CG 3.74Å; F301-F358 HydrophobicContact CE1-CG 3.74Å; F301-W359 PolarHBondContact O-NE1 3.19Å
302	V	95.6	Very high	92.4	Very high	81 Å²	81	45.5 Å²	45.5	49%	0.491	24%	0.235	S	C	.	.	H	α-helix	trans	-71.4	-44.1	-179.4	-178.7	0	0	0	0	110.8	T299 P300 W305 L306	T299-V302 PolarHBondContact O-N 3.15Å; P300-V302 PolarHBondContact O-N 2.93Å; V302-W305 PolarHBondContact O-N 2.89Å; V302-L306 HydrophobicContact CG1-CD1 3.7Å; V302-L306 HydrophobicContact CG1-CG 4.14Å; V302-L306 WeakPolarHBondContact O-CB 3.32Å; V302-L306 VanDerWaalsContact O-CG 3.31Å; V302-L306 WeakPolarHBondContact O-CG 3.47Å; V302-L306 PolarHBondContact O-N 3.28Å
303	V	95.3	Very high	92.7	Very high	39 Å²	39	45.7 Å²	45.7	24%	0.236	24%	0.239	C	C	.	.	H	α-helix	trans	-64.6	-47	-177.1	173.1	0	0	0	0	111.8	T299 W305 L306 V307 V332	T299-V303 HydrophobicContact CG2-CG2 3.9Å; T299-V303 WeakPolarHBondContact O-CG2 3.3Å; T299-V303 PolarHBondContact O-N 2.71Å; V303-W305 VanDerWaalsContact C-N 3.26Å; V303-W305 PolarHBondContact O-N 3.4Å; V303-L306 PolarHBondContact O-N 3.41Å; V303-V307 WeakPolarHBondContact O-CG2 3.27Å; V303-V307 PolarHBondContact O-N 3.07Å; V303-V332 HydrophobicContact CG2-CG2 3.48Å; V303-V332 VanDerWaalsContact CG2-CG2 3.48Å
304	I	94.7	Very high	92.9	Very high	17 Å²	17	48.6 Å²	48.6	9%	0.087	26%	0.258	C	S	.	.	H	α-helix	trans	-62.1	-38.6	179.9	-70.3	165	0	0	0	110.9	P300 G308 A355 T356 W359 W523 M524	P300-I304 WeakPolarHBondContact O-CB 3.41Å; P300-I304 WeakPolarHBondContact O-CD1 3.41Å; P300-I304 VanDerWaalsContact O-CG1 3.29Å; P300-I304 WeakPolarHBondContact O-CG1 3.34Å; P300-I304 PolarHBondContact O-N 2.85Å; I304-G308 PolarHBondContact O-N 3.33Å; I304-A355 HydrophobicContact CD1-CB 3.77Å; I304-T356 HydrophobicContact CD1-CG2 3.47Å; I304-T356 VanDerWaalsContact CD1-CG2 3.47Å; I304-W359 HydrophobicContact CG2-CB 4.48Å; I304-W359 HydrophobicContact CG2-CG 4.26Å; I304-W523 HydrophobicContact CG2-CZ2 4.47Å; I304-W523 PolarHBondContact O-NE1 2.86Å; I304-M524 HydrophobicContact CG2-CE 4.29Å
305	W	96.1	Very high	93	Very high	92 Å²	92	45 Å²	45	35%	0.348	25%	0.246	S	C	.	.	H	α-helix	trans	-65.9	-51.2	175	176.6	69.5	0	0	0	112.4	F301 V302 V303 V307 G308 F309 W359 W520	F301-W305 WeakPolarHBondContact O-CB 3.25Å; F301-W305 PolarHBondContact O-N 3.49Å; V302-W305 PolarHBondContact O-N 2.89Å; V303-W305 VanDerWaalsContact C-N 3.26Å; V303-W305 PolarHBondContact O-N 3.4Å; W305-V307 PolarHBondContact O-N 3.1Å; W305-G308 PolarHBondContact O-N 3.49Å; W305-G308 VanDerWaalsContact O-N 3.14Å; W305-F309 HydrophobicContact CD2-CB 4.49Å; W305-F309 HydrophobicContact CH2-CD1 4.39Å; W305-F309 HydrophobicContact CH2-CG 4.39Å; W305-F309 HydrophobicContact CZ2-CB 4.31Å; W305-F309 HydrophobicContact CZ2-CD1 4.42Å; W305-F309 HydrophobicContact CZ2-CD2 4.03Å; W305-F309 HydrophobicContact CZ2-CE2 4.48Å; W305-F309 AromaticContact CZ2-CG 3.99Å; W305-F309 HydrophobicContact CZ2-CG 3.99Å; W305-F309 VanDerWaalsContact O-CB 3.27Å; W305-F309 WeakPolarHBondContact O-CB 3.49Å; W305-F309 PolarHBondContact O-N 3.37Å; W305-W359 HydrophobicContact CB-CD2 4.42Å; W305-W359 HydrophobicContact CB-CH2 3.98Å; W305-W359 HydrophobicContact CB-CZ2 3.4Å; W305-W359 VanDerWaalsContact CB-CZ2 3.4Å; W305-W359 AromaticContact CD1-CH2 3.35Å; W305-W359 AromaticContact CD1-CZ2 3.74Å; W305-W359 AromaticContact CD1-CZ3 3.67Å; W305-W359 AromaticContact CG-CH2 3.72Å; W305-W359 HydrophobicContact CG-CH2 3.72Å; W305-W359 AromaticContact CG-CZ2 3.66Å; W305-W359 HydrophobicContact CG-CZ2 3.66Å; W305-W359 HydrophobicContact CG-CZ3 4.4Å; W305-W520 AromaticContact CD1-CH2 3.95Å; W305-W520 AromaticContact CD1-CZ3 3.97Å
306	L	96.4	Very high	92.8	Very high	45 Å²	45	51 Å²	51	24%	0.236	28%	0.277	C	S	.	.	H	α-helix	trans	-56.5	-39.9	179.6	-76.7	172.5	0	0	0	111.5	V302 V303 F309 I310 V328	V302-L306 HydrophobicContact CG1-CD1 3.7Å; V302-L306 HydrophobicContact CG1-CG 4.14Å; V302-L306 WeakPolarHBondContact O-CB 3.32Å; V302-L306 VanDerWaalsContact O-CG 3.31Å; V302-L306 WeakPolarHBondContact O-CG 3.47Å; V302-L306 PolarHBondContact O-N 3.28Å; V303-L306 PolarHBondContact O-N 3.41Å; L306-F309 PolarHBondContact O-N 2.8Å; L306-I310 HydrophobicContact CB-CD1 4.5Å; L306-I310 WeakPolarHBondContact O-CB 3.31Å; L306-I310 WeakPolarHBondContact O-CD1 3.17Å; L306-I310 WeakPolarHBondContact O-CG1 3.32Å; L306-I310 PolarHBondContact O-N 3.47Å; L306-V328 HydrophobicContact CB-CG2 4.18Å; L306-V328 HydrophobicContact CD1-CG1 4.39Å; L306-V328 HydrophobicContact CD1-CG2 4Å
307	V	94.8	Very high	92.9	Very high	37 Å²	37	53.1 Å²	53.1	22%	0.224	29%	0.292	C	S	.	.	H	α-helix	trans	-61.8	-48.8	178.2	170.9	0	0	0	0	111.4	V303 W305 A311 Y325 W523	V303-V307 WeakPolarHBondContact O-CG2 3.27Å; V303-V307 PolarHBondContact O-N 3.07Å; W305-V307 PolarHBondContact O-N 3.1Å; V307-A311 PolarHBondContact O-N 3.4Å; V307-Y325 HydrophobicContact CB-CE1 4.5Å; V307-Y325 HydrophobicContact CG1-CE1 4.29Å; V307-Y325 PolarHBondContact O-OH 3.1Å; V307-W523 HydrophobicContact CB-CZ2 4.08Å; V307-W523 HydrophobicContact CG1-CD2 4.03Å; V307-W523 HydrophobicContact CG1-CE3 4.23Å; V307-W523 HydrophobicContact CG1-CH2 3.96Å; V307-W523 HydrophobicContact CG1-CZ2 3.7Å; V307-W523 HydrophobicContact CG1-CZ3 4.2Å
308	G	93.4	Very high	92.9	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-66.7	-42.9	177.5	0	0	0	0	0	112.6	I304 W305 A311 D312 W523	I304-G308 PolarHBondContact O-N 3.33Å; W305-G308 PolarHBondContact O-N 3.49Å; W305-G308 VanDerWaalsContact O-N 3.14Å; G308-A311 WeakPolarHBondContact O-CB 3.23Å; G308-A311 PolarHBondContact O-N 3.38Å; G308-D312 WeakPolarHBondContact O-CB 2.97Å; G308-D312 PolarHBondContact O-N 3.49Å; G308-W523 VanDerWaalsContact CA-CD1 3.43Å
309	F	94.4	Very high	93	Very high	83 Å²	83	65.1 Å²	65.1	36%	0.364	33%	0.332	S	S	.	.	H	α-helix	trans	-62.9	-46.4	-179.2	177.8	-103.7	0	0	0	112.1	W305 L306 A311 D312 L313	W305-F309 HydrophobicContact CD2-CB 4.49Å; W305-F309 HydrophobicContact CH2-CD1 4.39Å; W305-F309 HydrophobicContact CH2-CG 4.39Å; W305-F309 HydrophobicContact CZ2-CB 4.31Å; W305-F309 HydrophobicContact CZ2-CD1 4.42Å; W305-F309 HydrophobicContact CZ2-CD2 4.03Å; W305-F309 HydrophobicContact CZ2-CE2 4.48Å; W305-F309 AromaticContact CZ2-CG 3.99Å; W305-F309 HydrophobicContact CZ2-CG 3.99Å; W305-F309 VanDerWaalsContact O-CB 3.27Å; W305-F309 WeakPolarHBondContact O-CB 3.49Å; W305-F309 PolarHBondContact O-N 3.37Å; L306-F309 PolarHBondContact O-N 2.8Å; F309-A311 PolarHBondContact O-N 2.97Å; F309-D312 PolarHBondContact O-N 2.82Å; F309-D312 VanDerWaalsContact O-N 3.09Å; F309-L313 HydrophobicContact CD1-CG 4.45Å; F309-L313 HydrophobicContact CE1-CD1 4.17Å; F309-L313 HydrophobicContact CE1-CD2 3.86Å; F309-L313 HydrophobicContact CE1-CG 4.12Å; F309-L313 HydrophobicContact CE2-CD2 4.25Å; F309-L313 HydrophobicContact CZ-CD2 3.66Å; F309-L313 HydrophobicContact CZ-CG 4.34Å; F309-L313 WeakPolarHBondContact O-CG 3.31Å; F309-L313 PolarHBondContact O-N 3.04Å
310	I	95.4	Very high	93	Very high	2 Å²	2	68.2 Å²	68.2	1%	0.01	35%	0.348	C	S	.	.	H	α-helix	trans	-60.9	-37.3	177.2	-67.8	163.9	0	0	0	110.8	L306 D312 K321 M324 Y325 V328	L306-I310 HydrophobicContact CB-CD1 4.5Å; L306-I310 WeakPolarHBondContact O-CB 3.31Å; L306-I310 WeakPolarHBondContact O-CD1 3.17Å; L306-I310 WeakPolarHBondContact O-CG1 3.32Å; L306-I310 PolarHBondContact O-N 3.47Å; I310-D312 VanDerWaalsContact C-N 3.33Å; I310-K321 HydrophobicContact CG2-CB 4.22Å; I310-K321 HydrophobicContact CG2-CG 4.37Å; I310-K321 WeakPolarHBondContact O-CE 3.25Å; I310-M324 HydrophobicContact CD1-CB 3.9Å; I310-M324 HydrophobicContact CG1-CB 4.21Å; I310-M324 HydrophobicContact CG1-CE 3.91Å; I310-M324 HydrophobicContact CG1-SD 4.49Å; I310-M324 HydrophobicContact CG2-CB 4.03Å; I310-M324 HydrophobicContact CG2-SD 4.29Å; I310-Y325 HydrophobicContact CB-CD1 4.5Å; I310-Y325 HydrophobicContact CB-CE1 3.87Å; I310-Y325 HydrophobicContact CD1-CD1 4.06Å; I310-Y325 HydrophobicContact CD1-CE1 4.18Å; I310-Y325 HydrophobicContact CG2-CD1 4.24Å; I310-Y325 HydrophobicContact CG2-CD2 4.15Å; I310-Y325 HydrophobicContact CG2-CE1 3.81Å; I310-Y325 HydrophobicContact CG2-CE2 3.7Å; I310-Y325 HydrophobicContact CG2-CG 4.39Å; I310-V328 HydrophobicContact CD1-CG2 3.77Å
311	A	91.6	Very high	93	Very high	24 Å²	24	69.1 Å²	69.1	20%	0.198	35%	0.351	C	S	.	.	H	α-helix	trans	-63.4	-42	175.7	0	0	0	0	0	111.5	V307 G308 F309 K321 Y325 P519	V307-A311 PolarHBondContact O-N 3.4Å; G308-A311 WeakPolarHBondContact O-CB 3.23Å; G308-A311 PolarHBondContact O-N 3.38Å; F309-A311 PolarHBondContact O-N 2.97Å; A311-K321 PolarHBondContact O-NZ 2.94Å; A311-Y325 WeakPolarHBondContact CB-OH 3.46Å; A311-Y325 PolarHBondContact N-OH 3.22Å; A311-P519 HydrophobicContact CB-CB 3.71Å; A311-P519 WeakPolarHBondContact O-CG 3.4Å
312	D	92.1	Very high	92.9	Very high	73 Å²	73	68.1 Å²	68.1	39%	0.39	36%	0.357	S	S	.	.	H	α-helix	trans	-78.1	-13.4	-175.9	-146.2	59.8	0	0	0	114.3	G308 F309 I310 D314 P519 W520	G308-D312 WeakPolarHBondContact O-CB 2.97Å; G308-D312 PolarHBondContact O-N 3.49Å; F309-D312 PolarHBondContact O-N 2.82Å; F309-D312 VanDerWaalsContact O-N 3.09Å; I310-D312 VanDerWaalsContact C-N 3.33Å; D312-D314 PolarHBondContact O-N 2.96Å; D312-P519 HydrophobicContact CB-CB 4.45Å; D312-P519 WeakPolarHBondContact OD1-CD 3.43Å; D312-W520 HydrophobicContact CB-CB 4.49Å; D312-W520 PolarHBondContact OD1-N 2.97Å
313	L	92.4	Very high	92.9	Very high	45 Å²	45	69.5 Å²	69.5	24%	0.236	36%	0.36	C	S	.	.	S	Bend	trans	-59.4	133.8	176.4	-77.4	175.8	0	0	0	111.8	F309 V315 K321 M324	F309-L313 HydrophobicContact CD1-CG 4.45Å; F309-L313 HydrophobicContact CE1-CD1 4.17Å; F309-L313 HydrophobicContact CE1-CD2 3.86Å; F309-L313 HydrophobicContact CE1-CG 4.12Å; F309-L313 HydrophobicContact CE2-CD2 4.25Å; F309-L313 HydrophobicContact CZ-CD2 3.66Å; F309-L313 HydrophobicContact CZ-CG 4.34Å; F309-L313 WeakPolarHBondContact O-CG 3.31Å; F309-L313 PolarHBondContact O-N 3.04Å; L313-V315 HydrophobicContact CB-CG2 4.19Å; L313-V315 PolarHBondContact O-N 3.27Å; L313-K321 WeakPolarHBondContact O-CE 3.5Å; L313-K321 PolarHBondContact O-NZ 3.41Å; L313-M324 HydrophobicContact CD1-CE 3.63Å; L313-M324 HydrophobicContact CD1-SD 3.85Å
314	D	88.9	Confident	93	Very high	159 Å²	159	70.9 Å²	70.9	85%	0.85	37%	0.365	S	S	*	.			trans	-75.1	67.1	173.7	-166.6	28.6	0	0	0	110.8	D312	D312-D314 PolarHBondContact O-N 2.96Å
315	V	90.2	Very high	93	Very high	46 Å²	46	73.9 Å²	73.9	28%	0.279	38%	0.376	S	S	.	.			trans	-129.4	113.5	179.3	176.4	0	0	0	0	108.1	L313 S317 I320 K321	L313-V315 HydrophobicContact CB-CG2 4.19Å; L313-V315 PolarHBondContact O-N 3.27Å; V315-S317 PolarHBondContact O-N 3.42Å; V315-I320 HydrophobicContact CG1-CB 4.04Å; V315-I320 HydrophobicContact CG1-CD1 4.17Å; V315-I320 HydrophobicContact CG1-CG2 4.11Å; V315-K321 VanDerWaalsContact O-CE 3.29Å; V315-K321 WeakPolarHBondContact O-CE 3.17Å
316	D	84.2	Confident	93.1	Very high	156 Å²	156	72 Å²	72	83%	0.834	38%	0.379	S	S	*	.			trans	-67.8	-20.8	-177.8	-64.9	-41.2	0	0	0	113.6	W318	D316-W318 PolarHBondContact O-N 3.18Å
317	S	92.4	Very high	93.1	Very high	45 Å²	45	71.8 Å²	71.8	32%	0.315	39%	0.389	S	S	.	.			trans	-86.3	107.1	-176.7	-177.6	0	0	0	0	112.8	V315 L319 I320 K321	V315-S317 PolarHBondContact O-N 3.42Å; S317-L319 PolarHBondContact O-N 2.83Å; S317-L319 PolarHBondContact OG-N 3.04Å; S317-I320 PolarHBondContact O-N 3.44Å; S317-I320 VanDerWaalsContact O-N 3.11Å; S317-I320 PolarHBondContact OG-N 2.9Å; S317-K321 PolarHBondContact O-N 2.8Å
318	W	88.6	Confident	93.1	Very high	214 Å²	214	71.1 Å²	71.1	81%	0.811	38%	0.384	S	S	*	.	H	α-helix	trans	-57.6	-29.7	170.1	-73.4	97.1	0	0	0	113.4	D316 G322	D316-W318 PolarHBondContact O-N 3.18Å; W318-G322 PolarHBondContact O-N 3.39Å
319	L	93.6	Very high	93.2	Very high	126 Å²	126	78.8 Å²	78.8	66%	0.66	41%	0.414	S	S	*	.	H	α-helix	trans	-64.7	-43	176.2	-179.7	63.2	0	0	0	111.1	S317 G322 I323	S317-L319 PolarHBondContact O-N 2.83Å; S317-L319 PolarHBondContact OG-N 3.04Å; L319-G322 PolarHBondContact O-N 3.27Å; L319-I323 HydrophobicContact CD1-CD1 4.38Å; L319-I323 HydrophobicContact CG-CD1 4.13Å; L319-I323 WeakPolarHBondContact O-CG1 3.46Å; L319-I323 PolarHBondContact O-N 3.49Å
320	I	93.2	Very high	93.3	Very high	82 Å²	82	78.9 Å²	78.9	42%	0.421	42%	0.421	S	S	.	.	H	α-helix	trans	-64.9	-47.6	178.3	-64	176.9	0	0	0	110	V315 S317 G322 I323 M324	V315-I320 HydrophobicContact CG1-CB 4.04Å; V315-I320 HydrophobicContact CG1-CD1 4.17Å; V315-I320 HydrophobicContact CG1-CG2 4.11Å; S317-I320 PolarHBondContact O-N 3.44Å; S317-I320 VanDerWaalsContact O-N 3.11Å; S317-I320 PolarHBondContact OG-N 2.9Å; I320-G322 VanDerWaalsContact C-N 3.28Å; I320-G322 PolarHBondContact O-N 2.82Å; I320-I323 PolarHBondContact O-N 3.37Å; I320-I323 VanDerWaalsContact O-N 3.17Å; I320-M324 HydrophobicContact CG2-SD 4.42Å; I320-M324 WeakPolarHBondContact O-CG 3.4Å; I320-M324 PolarHBondContact O-N 2.84Å
321	K	92.9	Very high	93.2	Very high	28 Å²	28	81.1 Å²	81.1	12%	0.122	44%	0.44	C	S	.	.	H	α-helix	trans	-57.4	-42.7	174.8	-68.6	-172.8	175.4	-176.1	0	111.3	I310 A311 L313 V315 S317 I323 M324 Y325	I310-K321 HydrophobicContact CG2-CB 4.22Å; I310-K321 HydrophobicContact CG2-CG 4.37Å; I310-K321 WeakPolarHBondContact O-CE 3.25Å; A311-K321 PolarHBondContact O-NZ 2.94Å; L313-K321 WeakPolarHBondContact O-CE 3.5Å; L313-K321 PolarHBondContact O-NZ 3.41Å; V315-K321 VanDerWaalsContact O-CE 3.29Å; V315-K321 WeakPolarHBondContact O-CE 3.17Å; S317-K321 PolarHBondContact O-N 2.8Å; K321-I323 PolarHBondContact O-N 2.88Å; K321-M324 PolarHBondContact O-N 2.9Å; K321-Y325 HydrophobicContact CB-CE2 4.32Å; K321-Y325 WeakPolarHBondContact O-CD2 3.13Å; K321-Y325 PolarHBondContact O-N 3.32Å
322	G	94.7	Very high	93.1	Very high	37 Å²	37	82 Å²	82	38%	0.381	44%	0.442	S	S	.	.	H	α-helix	trans	-59	-44.6	175	0	0	0	0	0	113.6	W318 L319 I320 M324 Y325 A326	W318-G322 PolarHBondContact O-N 3.39Å; L319-G322 PolarHBondContact O-N 3.27Å; I320-G322 VanDerWaalsContact C-N 3.28Å; I320-G322 PolarHBondContact O-N 2.82Å; G322-M324 VanDerWaalsContact C-N 3.35Å; G322-M324 PolarHBondContact O-N 2.74Å; G322-Y325 PolarHBondContact O-N 2.71Å; G322-A326 PolarHBondContact O-N 3.08Å
323	I	96.5	Very high	93.1	Very high	109 Å²	109	83 Å²	83	56%	0.559	45%	0.445	S	S	*	.	H	α-helix	trans	-62.8	-41.4	175.7	-69.5	164.9	0	0	0	110.9	L319 I320 K321 A326 G327	L319-I323 HydrophobicContact CD1-CD1 4.38Å; L319-I323 HydrophobicContact CG-CD1 4.13Å; L319-I323 WeakPolarHBondContact O-CG1 3.46Å; L319-I323 PolarHBondContact O-N 3.49Å; I320-I323 PolarHBondContact O-N 3.37Å; I320-I323 VanDerWaalsContact O-N 3.17Å; K321-I323 PolarHBondContact O-N 2.88Å; I323-A326 PolarHBondContact O-N 3.23Å; I323-G327 PolarHBondContact O-N 3.37Å
324	M	96.1	Very high	93	Very high	69 Å²	69	87.7 Å²	87.7	34%	0.34	46%	0.463	S	S	.	.	H	α-helix	trans	-62.7	-45.1	176.7	-65.7	178.8	79	0	0	111.8	I310 L313 I320 K321 G322 A326 G327 V328	I310-M324 HydrophobicContact CD1-CB 3.9Å; I310-M324 HydrophobicContact CG1-CB 4.21Å; I310-M324 HydrophobicContact CG1-CE 3.91Å; I310-M324 HydrophobicContact CG1-SD 4.49Å; I310-M324 HydrophobicContact CG2-CB 4.03Å; I310-M324 HydrophobicContact CG2-SD 4.29Å; L313-M324 HydrophobicContact CD1-CE 3.63Å; L313-M324 HydrophobicContact CD1-SD 3.85Å; I320-M324 HydrophobicContact CG2-SD 4.42Å; I320-M324 WeakPolarHBondContact O-CG 3.4Å; I320-M324 PolarHBondContact O-N 2.84Å; K321-M324 PolarHBondContact O-N 2.9Å; G322-M324 VanDerWaalsContact C-N 3.35Å; G322-M324 PolarHBondContact O-N 2.74Å; M324-A326 VanDerWaalsContact C-N 3.34Å; M324-A326 PolarHBondContact O-N 2.81Å; M324-G327 WeakPolarHBondContact O-CA 3.45Å; M324-G327 PolarHBondContact O-N 2.9Å; M324-G327 VanDerWaalsContact O-N 3.13Å; M324-V328 WeakPolarHBondContact O-CG2 3.38Å; M324-V328 PolarHBondContact O-N 3.42Å
325	Y	96	Very high	92.9	Very high	80 Å²	80	82.4 Å²	82.4	31%	0.314	44%	0.435	S	S	.	.	H	α-helix	trans	-61.3	-40.9	174.9	-71.8	-57.8	0	0	0	112.5	V307 I310 A311 K321 G322 G327 V328 W329	V307-Y325 HydrophobicContact CB-CE1 4.5Å; V307-Y325 HydrophobicContact CG1-CE1 4.29Å; V307-Y325 PolarHBondContact O-OH 3.1Å; I310-Y325 HydrophobicContact CB-CD1 4.5Å; I310-Y325 HydrophobicContact CB-CE1 3.87Å; I310-Y325 HydrophobicContact CD1-CD1 4.06Å; I310-Y325 HydrophobicContact CD1-CE1 4.18Å; I310-Y325 HydrophobicContact CG2-CD1 4.24Å; I310-Y325 HydrophobicContact CG2-CD2 4.15Å; I310-Y325 HydrophobicContact CG2-CE1 3.81Å; I310-Y325 HydrophobicContact CG2-CE2 3.7Å; I310-Y325 HydrophobicContact CG2-CG 4.39Å; A311-Y325 WeakPolarHBondContact CB-OH 3.46Å; A311-Y325 PolarHBondContact N-OH 3.22Å; K321-Y325 HydrophobicContact CB-CE2 4.32Å; K321-Y325 WeakPolarHBondContact O-CD2 3.13Å; K321-Y325 PolarHBondContact O-N 3.32Å; G322-Y325 PolarHBondContact O-N 2.71Å; Y325-G327 VanDerWaalsContact C-N 3.29Å; Y325-G327 PolarHBondContact O-N 3.32Å; Y325-V328 PolarHBondContact O-N 2.93Å; Y325-W329 PolarHBondContact O-N 3.46Å
326	A	96.3	Very high	92.7	Very high	51 Å²	51	82.2 Å²	82.2	42%	0.421	44%	0.435	S	S	.	.	H	α-helix	trans	-61.1	-40.3	173.9	0	0	0	0	0	111.3	G322 I323 M324 W329 V330	G322-A326 PolarHBondContact O-N 3.08Å; I323-A326 PolarHBondContact O-N 3.23Å; M324-A326 VanDerWaalsContact C-N 3.34Å; M324-A326 PolarHBondContact O-N 2.81Å; A326-W329 PolarHBondContact O-N 3.43Å; A326-V330 WeakPolarHBondContact O-CG2 3.39Å; A326-V330 PolarHBondContact O-N 2.87Å
327	G	96.8	Very high	92.7	Very high	42 Å²	42	83.8 Å²	83.8	43%	0.433	44%	0.435	S	S	.	.	H	α-helix	trans	-59.5	-46.6	173.4	0	0	0	0	0	113	I323 M324 Y325 W329 V330 A331	I323-G327 PolarHBondContact O-N 3.37Å; M324-G327 WeakPolarHBondContact O-CA 3.45Å; M324-G327 PolarHBondContact O-N 2.9Å; M324-G327 VanDerWaalsContact O-N 3.13Å; Y325-G327 VanDerWaalsContact C-N 3.29Å; Y325-G327 PolarHBondContact O-N 3.32Å; G327-W329 VanDerWaalsContact C-N 3.34Å; G327-W329 PolarHBondContact O-N 3Å; G327-V330 PolarHBondContact O-N 2.93Å; G327-A331 WeakPolarHBondContact O-CB 3.47Å; G327-A331 PolarHBondContact O-N 2.64Å
328	V	95.6	Very high	92.3	Very high	22 Å²	22	82.2 Å²	82.2	13%	0.133	43%	0.425	C	S	.	.	H	α-helix	trans	-59.8	-45.3	174.5	177.4	0	0	0	0	110.8	L306 I310 M324 Y325 A331 V332	L306-V328 HydrophobicContact CB-CG2 4.18Å; L306-V328 HydrophobicContact CD1-CG1 4.39Å; L306-V328 HydrophobicContact CD1-CG2 4Å; I310-V328 HydrophobicContact CD1-CG2 3.77Å; M324-V328 WeakPolarHBondContact O-CG2 3.38Å; M324-V328 PolarHBondContact O-N 3.42Å; Y325-V328 PolarHBondContact O-N 2.93Å; V328-A331 PolarHBondContact O-N 3.3Å; V328-V332 HydrophobicContact CG1-CG2 4.41Å; V328-V332 WeakPolarHBondContact O-CG2 3.17Å; V328-V332 PolarHBondContact O-N 3.29Å
329	W	94.9	Very high	91.9	Very high	162 Å²	162	73.5 Å²	73.5	61%	0.614	39%	0.393	S	S	*	.	H	α-helix	trans	-60.7	-46.9	178.4	177.7	85.9	0	0	0	112	Y325 A326 G327 A331 V332 Q333	Y325-W329 PolarHBondContact O-N 3.46Å; A326-W329 PolarHBondContact O-N 3.43Å; G327-W329 VanDerWaalsContact C-N 3.34Å; G327-W329 PolarHBondContact O-N 3Å; W329-A331 VanDerWaalsContact C-N 3.33Å; W329-A331 PolarHBondContact O-N 3.29Å; W329-V332 PolarHBondContact O-N 3.38Å; W329-Q333 HydrophobicContact CD2-CG 4.08Å; W329-Q333 HydrophobicContact CE3-CG 4.42Å; W329-Q333 HydrophobicContact CH2-CG 4.24Å; W329-Q333 HydrophobicContact CZ2-CG 3.88Å; W329-Q333 HydrophobicContact CZ3-CG 4.5Å; W329-Q333 WeakPolarHBondContact O-CG 3.42Å; W329-Q333 PolarHBondContact O-N 2.86Å
330	V	96.1	Very high	91.3	Very high	85 Å²	85	69.2 Å²	69.2	52%	0.515	37%	0.369	S	S	.	.	H	α-helix	trans	-60.1	-43.3	176.1	171.4	0	0	0	0	111.1	A326 G327 V332 Q333 F334	A326-V330 WeakPolarHBondContact O-CG2 3.39Å; A326-V330 PolarHBondContact O-N 2.87Å; G327-V330 PolarHBondContact O-N 2.93Å; V330-V332 PolarHBondContact O-N 3.13Å; V330-Q333 PolarHBondContact O-N 2.9Å; V330-F334 PolarHBondContact O-N 3.25Å
331	A	93.1	Very high	90.3	Very high	49 Å²	49	67.5 Å²	67.5	41%	0.405	36%	0.361	S	S	.	.	H	α-helix	trans	-62.3	-43	177.6	0	0	0	0	0	112	G327 V328 W329 F334 L335	G327-A331 WeakPolarHBondContact O-CB 3.47Å; G327-A331 PolarHBondContact O-N 2.64Å; V328-A331 PolarHBondContact O-N 3.3Å; W329-A331 VanDerWaalsContact C-N 3.33Å; W329-A331 PolarHBondContact O-N 3.29Å; A331-F334 PolarHBondContact O-N 3.37Å; A331-L335 WeakPolarHBondContact O-CB 3.41Å; A331-L335 WeakPolarHBondContact O-CG 3.47Å; A331-L335 PolarHBondContact O-N 2.88Å
332	V	91.1	Very high	88.8	Confident	42 Å²	42	74 Å²	74	26%	0.255	39%	0.391	S	S	.	.	H	α-helix	trans	-64.2	-41.2	175.6	172.2	0	0	0	0	111.3	V303 V328 W329 V330 F334 L335 S336	V303-V332 HydrophobicContact CG2-CG2 3.48Å; V303-V332 VanDerWaalsContact CG2-CG2 3.48Å; V328-V332 HydrophobicContact CG1-CG2 4.41Å; V328-V332 WeakPolarHBondContact O-CG2 3.17Å; V328-V332 PolarHBondContact O-N 3.29Å; W329-V332 PolarHBondContact O-N 3.38Å; V330-V332 PolarHBondContact O-N 3.13Å; V332-F334 VanDerWaalsContact C-N 3.35Å; V332-F334 PolarHBondContact O-N 2.89Å; V332-L335 PolarHBondContact O-N 2.83Å; V332-S336 VanDerWaalsContact O-CB 3.23Å; V332-S336 WeakPolarHBondContact O-CB 3.33Å; V332-S336 PolarHBondContact O-N 2.76Å
333	Q	90.8	Very high	87.2	Confident	94 Å²	94	76.2 Å²	76.2	44%	0.439	40%	0.401	S	S	.	.	H	α-helix	trans	-62.2	-43.1	175.9	-70.9	-61.9	-17.9	0	0	111.9	W329 V330 S336 K337	W329-Q333 HydrophobicContact CD2-CG 4.08Å; W329-Q333 HydrophobicContact CE3-CG 4.42Å; W329-Q333 HydrophobicContact CH2-CG 4.24Å; W329-Q333 HydrophobicContact CZ2-CG 3.88Å; W329-Q333 HydrophobicContact CZ3-CG 4.5Å; W329-Q333 WeakPolarHBondContact O-CG 3.42Å; W329-Q333 PolarHBondContact O-N 2.86Å; V330-Q333 PolarHBondContact O-N 2.9Å; Q333-S336 PolarHBondContact O-N 3.33Å; Q333-K337 WeakPolarHBondContact O-CB 3.28Å; Q333-K337 PolarHBondContact O-N 3.32Å
334	F	90.6	Very high	85.7	Confident	143 Å²	143	71.5 Å²	71.5	63%	0.627	38%	0.376	S	S	*	.	H	α-helix	trans	-61.1	-49.9	174.8	175.9	-95.8	0	0	0	111.5	V330 A331 V332 S336 K337 A338	V330-F334 PolarHBondContact O-N 3.25Å; A331-F334 PolarHBondContact O-N 3.37Å; V332-F334 VanDerWaalsContact C-N 3.35Å; V332-F334 PolarHBondContact O-N 2.89Å; F334-S336 VanDerWaalsContact C-N 3.33Å; F334-S336 PolarHBondContact O-N 3.44Å; F334-K337 PolarHBondContact O-N 3.35Å; F334-A338 WeakPolarHBondContact O-CB 3.48Å; F334-A338 PolarHBondContact O-N 3.47Å
335	L	87.8	Confident	84.3	Confident	48 Å²	48	72.4 Å²	72.4	25%	0.251	38%	0.38	S	S	.	.	H	α-helix	trans	-61.3	-41.4	178.2	-73	173.9	0	0	0	112.1	V295 T299 A331 V332 A338 F339	V295-L335 HydrophobicContact CG1-CD2 4.48Å; T299-L335 HydrophobicContact CG2-CD1 4.22Å; A331-L335 WeakPolarHBondContact O-CB 3.41Å; A331-L335 WeakPolarHBondContact O-CG 3.47Å; A331-L335 PolarHBondContact O-N 2.88Å; V332-L335 PolarHBondContact O-N 2.83Å; L335-A338 PolarHBondContact O-N 3.5Å; L335-F339 HydrophobicContact CD2-CD2 3.9Å; L335-F339 HydrophobicContact CD2-CE2 3.9Å; L335-F339 WeakPolarHBondContact O-CB 3.34Å; L335-F339 PolarHBondContact O-N 3.04Å
336	S	85.3	Confident	82.9	Confident	42 Å²	42	71.1 Å²	71.1	29%	0.294	38%	0.382	S	S	.	.	H	α-helix	trans	-60.1	-52.5	177.4	-176.5	0	0	0	0	110.7	V332 Q333 F334 A338 F339 F340	V332-S336 VanDerWaalsContact O-CB 3.23Å; V332-S336 WeakPolarHBondContact O-CB 3.33Å; V332-S336 PolarHBondContact O-N 2.76Å; Q333-S336 PolarHBondContact O-N 3.33Å; F334-S336 VanDerWaalsContact C-N 3.33Å; F334-S336 PolarHBondContact O-N 3.44Å; S336-A338 VanDerWaalsContact C-N 3.28Å; S336-A338 PolarHBondContact O-N 3.01Å; S336-F339 PolarHBondContact O-N 3.3Å; S336-F340 WeakPolarHBondContact O-CA 3.49Å; S336-F340 VanDerWaalsContact O-CB 3.27Å; S336-F340 WeakPolarHBondContact O-CB 3.27Å; S336-F340 PolarHBondContact O-N 2.91Å
337	K	85.2	Confident	82.1	Confident	189 Å²	189	69.1 Å²	69.1	82%	0.822	37%	0.366	S	S	*	.	H	α-helix	trans	-66.4	-30.1	178.8	-169.4	173.7	-178	177.3	0	113.1	Q333 F334	Q333-K337 WeakPolarHBondContact O-CB 3.28Å; Q333-K337 PolarHBondContact O-N 3.32Å; F334-K337 PolarHBondContact O-N 3.35Å
338	A	82.4	Confident	81.6	Confident	13 Å²	13	69.1 Å²	69.1	11%	0.107	36%	0.356	C	S	.	.	H	α-helix	trans	-81	-37.4	-179.2	0	0	0	0	0	112.9	K286 F334 L335 S336	K286-A338 WeakPolarHBondContact CE-O 3.33Å; K286-A338 WeakPolarHBondContact CG-O 3.45Å; F334-A338 WeakPolarHBondContact O-CB 3.48Å; F334-A338 PolarHBondContact O-N 3.47Å; L335-A338 PolarHBondContact O-N 3.5Å; S336-A338 VanDerWaalsContact C-N 3.28Å; S336-A338 PolarHBondContact O-N 3.01Å
339	F	81.6	Confident	81.2	Confident	31 Å²	31	69.3 Å²	69.3	14%	0.136	36%	0.357	C	S	.	.	H	α-helix	trans	-128.2	-21.7	-167.2	-59.7	-75	0	0	0	114.7	K286 F291 R292 V295 L335 S336 D341	K286-F339 HydrophobicContact CB-CE1 4.29Å; K286-F339 HydrophobicContact CG-CE1 4.49Å; F291-F339 HydrophobicContact CD1-CE1 4.34Å; F291-F339 HydrophobicContact CE1-CD1 4.37Å; F291-F339 AromaticContact CE1-CE1 3.85Å; F291-F339 HydrophobicContact CE1-CE1 3.85Å; F291-F339 HydrophobicContact CE1-CZ 4.39Å; R292-F339 HydrophobicContact CG-CB 4.48Å; R292-F339 HydrophobicContact CG-CD1 4.19Å; R292-F339 PolarHBondContact NE-O 3.39Å; R292-F339 PolarHBondContact NH2-O 2.53Å; V295-F339 HydrophobicContact CG1-CB 4.23Å; V295-F339 HydrophobicContact CG1-CD2 4.15Å; V295-F339 HydrophobicContact CG1-CG 4.22Å; L335-F339 HydrophobicContact CD2-CD2 3.9Å; L335-F339 HydrophobicContact CD2-CE2 3.9Å; L335-F339 WeakPolarHBondContact O-CB 3.34Å; L335-F339 PolarHBondContact O-N 3.04Å; S336-F339 PolarHBondContact O-N 3.3Å; F339-D341 PolarHBondContact O-N 3.36Å
340	F	81.2	Confident	80.9	Confident	35 Å²	35	62.8 Å²	62.8	15%	0.154	33%	0.334	C	S	.	.			trans	-84.1	118	-172.1	-66.5	20.9	0	0	0	109.1	M296 T299 S336 L348	M296-F340 HydrophobicContact CB-CE1 4.35Å; M296-F340 HydrophobicContact CE-CB 4.16Å; M296-F340 HydrophobicContact CE-CD2 4.39Å; M296-F340 HydrophobicContact CE-CG 4.11Å; M296-F340 HydrophobicContact CG-CD1 3.42Å; M296-F340 VanDerWaalsContact CG-CD1 3.42Å; M296-F340 HydrophobicContact CG-CE1 3.64Å; M296-F340 HydrophobicContact CG-CG 3.95Å; M296-F340 HydrophobicContact CG-CZ 4.32Å; M296-F340 HydrophobicContact SD-CB 4.4Å; M296-F340 HydrophobicContact SD-CD1 4.3Å; M296-F340 HydrophobicContact SD-CG 4.36Å; T299-F340 HydrophobicContact CG2-CZ 4.25Å; S336-F340 WeakPolarHBondContact O-CA 3.49Å; S336-F340 VanDerWaalsContact O-CB 3.27Å; S336-F340 WeakPolarHBondContact O-CB 3.27Å; S336-F340 PolarHBondContact O-N 2.91Å; F340-L348 HydrophobicContact CD2-CD2 4.48Å; F340-L348 HydrophobicContact CE2-CD1 4.12Å; F340-L348 HydrophobicContact CE2-CD2 4.22Å
341	D	70.4	Confident	80.6	Confident	47 Å²	47	58.7 Å²	58.7	25%	0.251	31%	0.31	S	S	.	.			trans	-97.4	147.2	178.1	-150.6	-66.2	0	0	0	111.4	R292 F339 S343 M344 H345	R292-D341 IonicContact CZ-OD2 2.84Å; R292-D341 IonicContact NH1-OD2 3.42Å; R292-D341 PolarHBondContact NH1-OD2 2.9Å; R292-D341 IonicContact NH2-OD2 3.05Å; R292-D341 PolarHBondContact NH2-OD2 3.01Å; F339-D341 PolarHBondContact O-N 3.36Å; D341-S343 PolarHBondContact O-N 3.49Å; D341-S343 PolarHBondContact OD1-N 3.28Å; D341-S343 PolarHBondContact OD1-OG 2.92Å; D341-M344 HydrophobicContact CB-CB 4.14Å; D341-M344 HydrophobicContact CB-CE 3.85Å; D341-M344 HydrophobicContact CB-CG 4.23Å; D341-M344 PolarHBondContact O-N 3.49Å; D341-H345 PolarHBondContact O-N 3.06Å
342	H	63.2	Low	80.5	Confident	164 Å²	164	59.2 Å²	59.2	76%	0.759	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-59	-34.8	168.7	-73.7	-49.4	0	0	0	112.7	M344 H345	H342-M344 PolarHBondContact O-N 3.45Å; H342-H345 WeakPolarHBondContact CA-CD2 3.48Å; H342-H345 AromaticContact CE1-NE2 3.75Å; H342-H345 AromaticContact CG-NE2 3.9Å; H342-H345 AromaticContact ND1-CD2 3.56Å; H342-H345 AromaticContact ND1-NE2 2.93Å; H342-H345 PolarHBondContact ND1-NE2 2.93Å; H342-H345 PolarHBondContact O-CD2 3.35Å
343	S	59.9	Low	80.5	Confident	84 Å²	84	57.4 Å²	57.4	59%	0.587	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-69.5	-15.4	176.3	61	0	0	0	0	114.2	D341	D341-S343 PolarHBondContact O-N 3.49Å; D341-S343 PolarHBondContact OD1-N 3.28Å; D341-S343 PolarHBondContact OD1-OG 2.92Å
344	M	65	Low	80.6	Confident	9 Å²	9	55.4 Å²	55.4	4%	0.044	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-117.1	11	-175.1	-65.8	-163.3	-68.1	0	0	114.1	K289 R292 Q293 M296 D341 H342 S346 A347	K289-M344 HydrophobicContact CG-CE 4.48Å; K289-M344 HydrophobicContact CG-SD 3.67Å; R292-M344 HydrophobicContact CB-CE 3.46Å; R292-M344 VanDerWaalsContact CB-CE 3.46Å; R292-M344 HydrophobicContact CG-CE 4.31Å; Q293-M344 HydrophobicContact CB-SD 4.2Å; M296-M344 HydrophobicContact CE-CB 4.05Å; M296-M344 WeakPolarHBondContact CE-O 3.31Å; M296-M344 HydrophobicContact SD-CB 3.73Å; M296-M344 HydrophobicContact SD-CE 4.09Å; D341-M344 HydrophobicContact CB-CB 4.14Å; D341-M344 HydrophobicContact CB-CE 3.85Å; D341-M344 HydrophobicContact CB-CG 4.23Å; D341-M344 PolarHBondContact O-N 3.49Å; H342-M344 PolarHBondContact O-N 3.45Å; M344-S346 PolarHBondContact O-N 2.82Å; M344-A347 WeakPolarHBondContact O-CB 3.21Å; M344-A347 PolarHBondContact O-N 2.96Å
345	H	66.9	Low	80.8	Confident	88 Å²	88	48.6 Å²	48.6	41%	0.407	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-15.8	172.8	-76.4	-52.8	0	0	0	113.9	D341 H342 A347 P349	D341-H345 PolarHBondContact O-N 3.06Å; H342-H345 WeakPolarHBondContact CA-CD2 3.48Å; H342-H345 AromaticContact CE1-NE2 3.75Å; H342-H345 AromaticContact CG-NE2 3.9Å; H342-H345 AromaticContact ND1-CD2 3.56Å; H342-H345 AromaticContact ND1-NE2 2.93Å; H342-H345 PolarHBondContact ND1-NE2 2.93Å; H342-H345 PolarHBondContact O-CD2 3.35Å; H345-A347 VanDerWaalsContact C-N 3.28Å; H345-A347 PolarHBondContact O-N 2.77Å; H345-P349 WeakPolarHBondContact O-CD 3.23Å
346	S	66.6	Low	81.2	Confident	53 Å²	53	46.5 Å²	46.5	37%	0.371	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-26.9	171.5	55	0	0	0	0	113.5	M344	M344-S346 PolarHBondContact O-N 2.82Å
347	A	79.8	Confident	81.6	Confident	9 Å²	9	44.7 Å²	44.7	7%	0.074	23%	0.232	C	C	.	.	H	α-helix	trans	-81.3	-30.9	-176.8	0	0	0	0	0	113.6	Q293 M344 H345 L350 G351	Q293-A347 HydrophobicContact CG-CB 4.17Å; M344-A347 WeakPolarHBondContact O-CB 3.21Å; M344-A347 PolarHBondContact O-N 2.96Å; H345-A347 VanDerWaalsContact C-N 3.28Å; H345-A347 PolarHBondContact O-N 2.77Å; A347-L350 PolarHBondContact O-N 3.27Å; A347-G351 PolarHBondContact O-N 2.63Å
348	L	85.6	Confident	82.2	Confident	43 Å²	43	40.4 Å²	40.4	23%	0.225	21%	0.213	C	C	.	.	H	α-helix	trans	-64.4	-45.7	-176	178.4	66	0	0	0	113	M296 P300 F340 L350 G351 I352	M296-L348 HydrophobicContact CE-CB 4.32Å; P300-L348 HydrophobicContact CG-CD1 3.87Å; F340-L348 HydrophobicContact CD2-CD2 4.48Å; F340-L348 HydrophobicContact CE2-CD1 4.12Å; F340-L348 HydrophobicContact CE2-CD2 4.22Å; L348-L350 VanDerWaalsContact C-N 3.33Å; L348-L350 PolarHBondContact O-N 3.04Å; L348-G351 PolarHBondContact O-N 2.97Å; L348-G351 VanDerWaalsContact O-N 3.13Å; L348-I352 HydrophobicContact CD1-CD1 4.27Å; L348-I352 HydrophobicContact CD1-CG1 4.31Å; L348-I352 HydrophobicContact CG-CD1 4.02Å; L348-I352 HydrophobicContact CG-CG1 4.5Å; L348-I352 WeakPolarHBondContact O-CG1 3.42Å; L348-I352 PolarHBondContact O-N 2.65Å
349	P	88.3	Confident	82.9	Confident	26 Å²	26	42 Å²	42	17%	0.169	22%	0.216	C	C	.	.	H	α-helix	trans	-56.2	-45.5	173.6	-27.2	35.7	0	0	0	112.5	H345 G351 I352 Y353 P458 W459	H345-P349 WeakPolarHBondContact O-CD 3.23Å; P349-G351 VanDerWaalsContact C-N 3.31Å; P349-G351 PolarHBondContact O-N 3.3Å; P349-I352 PolarHBondContact O-N 3.45Å; P349-Y353 PolarHBondContact O-N 3.31Å; P349-P458 HydrophobicContact CB-CB 4.1Å; P349-P458 HydrophobicContact CB-CG 4.32Å; P349-P458 HydrophobicContact CG-CB 4.05Å; P349-P458 HydrophobicContact CG-CG 4.33Å; P349-W459 HydrophobicContact CB-CD2 3.85Å; P349-W459 HydrophobicContact CB-CE3 3.81Å; P349-W459 HydrophobicContact CB-CH2 4.08Å; P349-W459 HydrophobicContact CB-CZ2 4.08Å; P349-W459 HydrophobicContact CB-CZ3 3.95Å; P349-W459 WeakPolarHBondContact O-CZ3 3.2Å
350	L	87.9	Confident	83.6	Confident	24 Å²	24	40.5 Å²	40.5	13%	0.126	21%	0.21	C	C	.	.	H	α-helix	trans	-58.7	-43.5	175.5	-178.6	61.7	0	0	0	111.6	L297 A347 L348 Y353 L354 F392 W459	L297-L350 HydrophobicContact CD1-CG 4.32Å; A347-L350 PolarHBondContact O-N 3.27Å; L348-L350 VanDerWaalsContact C-N 3.33Å; L348-L350 PolarHBondContact O-N 3.04Å; L350-Y353 HydrophobicContact CD1-CD1 4.49Å; L350-Y353 PolarHBondContact O-N 2.79Å; L350-L354 HydrophobicContact CD1-CD1 4.17Å; L350-L354 HydrophobicContact CD1-CG 4.24Å; L350-L354 HydrophobicContact CG-CD1 4.04Å; L350-L354 HydrophobicContact CG-CG 4.49Å; L350-L354 WeakPolarHBondContact O-CG 3.45Å; L350-L354 PolarHBondContact O-N 2.91Å; L350-F392 HydrophobicContact CD1-CE2 4.3Å; L350-F392 HydrophobicContact CD1-CZ 4.04Å; L350-W459 VanDerWaalsContact CD1-O 3.24Å; L350-W459 WeakPolarHBondContact CD1-O 3.34Å
351	G	90.5	Very high	84.4	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.2	-46.1	175.4	0	0	0	0	0	113.2	A347 L348 P349 Y353 L354 A355	A347-G351 PolarHBondContact O-N 2.63Å; L348-G351 PolarHBondContact O-N 2.97Å; L348-G351 VanDerWaalsContact O-N 3.13Å; P349-G351 VanDerWaalsContact C-N 3.31Å; P349-G351 PolarHBondContact O-N 3.3Å; G351-Y353 VanDerWaalsContact C-N 3.34Å; G351-Y353 PolarHBondContact O-N 2.89Å; G351-L354 PolarHBondContact O-N 3.36Å; G351-A355 WeakPolarHBondContact O-CB 3.33Å; G351-A355 PolarHBondContact O-N 2.86Å
352	I	91.3	Very high	85.7	Confident	60 Å²	60	38.7 Å²	38.7	31%	0.308	20%	0.202	S	C	.	.	H	α-helix	trans	-60.4	-45	175.8	-67.1	166.6	0	0	0	110.6	P300 L348 P349 T356 W459	P300-I352 HydrophobicContact CB-CG1 4.04Å; P300-I352 HydrophobicContact CG-CG1 3.88Å; L348-I352 HydrophobicContact CD1-CD1 4.27Å; L348-I352 HydrophobicContact CD1-CG1 4.31Å; L348-I352 HydrophobicContact CG-CD1 4.02Å; L348-I352 HydrophobicContact CG-CG1 4.5Å; L348-I352 WeakPolarHBondContact O-CG1 3.42Å; L348-I352 PolarHBondContact O-N 2.65Å; P349-I352 PolarHBondContact O-N 3.45Å; I352-T356 HydrophobicContact CG2-CG2 4.35Å; I352-T356 WeakPolarHBondContact O-CB 3.36Å; I352-T356 VanDerWaalsContact O-CG2 3.24Å; I352-T356 WeakPolarHBondContact O-CG2 3.42Å; I352-T356 PolarHBondContact O-N 3.38Å; I352-T356 PolarHBondContact O-OG1 3.05Å; I352-T356 VanDerWaalsContact O-OG1 3.05Å; I352-W459 HydrophobicContact CB-CZ3 4.32Å; I352-W459 HydrophobicContact CG2-CZ3 4.35Å
353	Y	90.9	Very high	87.3	Confident	4 Å²	4	30.9 Å²	30.9	2%	0.016	17%	0.166	C	C	.	.	H	α-helix	trans	-60.4	-52.9	176.9	164.7	-98.4	0	0	0	111.6	P349 L350 G351 A355 T356 K357 F392 Y475 L479	P349-Y353 PolarHBondContact O-N 3.31Å; L350-Y353 HydrophobicContact CD1-CD1 4.49Å; L350-Y353 PolarHBondContact O-N 2.79Å; G351-Y353 VanDerWaalsContact C-N 3.34Å; G351-Y353 PolarHBondContact O-N 2.89Å; Y353-A355 VanDerWaalsContact C-N 3.32Å; Y353-A355 PolarHBondContact O-N 3.45Å; Y353-T356 PolarHBondContact O-N 3.46Å; Y353-T356 PolarHBondContact O-OG1 2.64Å; Y353-K357 HydrophobicContact CD2-CG 4.11Å; Y353-K357 HydrophobicContact CE1-CG 4.47Å; Y353-K357 HydrophobicContact CE2-CD 4.13Å; Y353-K357 HydrophobicContact CE2-CG 3.63Å; Y353-K357 WeakPolarHBondContact O-CG 3.34Å; Y353-K357 PolarHBondContact O-N 3.35Å; Y353-F392 HydrophobicContact CD1-CE2 4.17Å; Y353-F392 AromaticContact CE1-CD2 3.89Å; Y353-F392 HydrophobicContact CE1-CD2 3.89Å; Y353-F392 AromaticContact CE1-CE2 3.61Å; Y353-F392 HydrophobicContact CE1-CE2 3.61Å; Y353-F392 HydrophobicContact CE1-CZ 4.12Å; Y353-Y475 WeakPolarHBondContact CD2-OH 3.34Å; Y353-Y475 AromaticContact CE2-CE2 3.91Å; Y353-Y475 HydrophobicContact CE2-CE2 3.91Å; Y353-Y475 AromaticContact CE2-CZ 3.9Å; Y353-Y475 WeakPolarHBondContact CE2-OH 3.35Å; Y353-Y475 AromaticContact CZ-CE2 3.7Å; Y353-Y475 WeakPolarHBondContact OH-CE2 3.34Å; Y353-L479 HydrophobicContact CE2-CD1 4.19Å; Y353-L479 HydrophobicContact CE2-CD2 4.21Å
354	L	92.4	Very high	89.1	Confident	52 Å²	52	26.9 Å²	26.9	27%	0.272	14%	0.138	S	C	.	.	H	α-helix	trans	-61.1	-41.6	-178.8	-67.5	172.2	0	0	0	111.8	L297 F301 L350 G351 K357 F358 F392	L297-L354 HydrophobicContact CD1-CD1 4.2Å; F301-L354 HydrophobicContact CE2-CB 4.13Å; F301-L354 HydrophobicContact CZ-CB 3.8Å; L350-L354 HydrophobicContact CD1-CD1 4.17Å; L350-L354 HydrophobicContact CD1-CG 4.24Å; L350-L354 HydrophobicContact CG-CD1 4.04Å; L350-L354 HydrophobicContact CG-CG 4.49Å; L350-L354 WeakPolarHBondContact O-CG 3.45Å; L350-L354 PolarHBondContact O-N 2.91Å; G351-L354 PolarHBondContact O-N 3.36Å; L354-K357 PolarHBondContact O-N 2.97Å; L354-F358 WeakPolarHBondContact O-CB 3.48Å; L354-F358 PolarHBondContact O-N 2.72Å; L354-F392 HydrophobicContact CD2-CZ 4.39Å
355	A	95.7	Very high	90.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63	-47.6	177.9	0	0	0	0	0	112.7	P300 F301 I304 G351 Y353 K357 F358 W359	P300-A355 HydrophobicContact CB-CB 3.77Å; F301-A355 HydrophobicContact CB-CB 4.29Å; F301-A355 HydrophobicContact CD1-CB 4.14Å; F301-A355 HydrophobicContact CD2-CB 3.62Å; F301-A355 HydrophobicContact CE1-CB 4.41Å; F301-A355 HydrophobicContact CE2-CB 3.9Å; F301-A355 HydrophobicContact CG-CB 3.74Å; F301-A355 HydrophobicContact CZ-CB 4.3Å; I304-A355 HydrophobicContact CD1-CB 3.77Å; G351-A355 WeakPolarHBondContact O-CB 3.33Å; G351-A355 PolarHBondContact O-N 2.86Å; Y353-A355 VanDerWaalsContact C-N 3.32Å; Y353-A355 PolarHBondContact O-N 3.45Å; A355-K357 VanDerWaalsContact C-N 3.3Å; A355-K357 PolarHBondContact O-N 2.95Å; A355-F358 PolarHBondContact O-N 3.25Å; A355-W359 PolarHBondContact O-N 3.33Å
356	T	94.8	Very high	91.9	Very high	4 Å²	4	35.3 Å²	35.3	3%	0.025	17%	0.169	C	C	.	.	H	α-helix	trans	-62.4	-39.2	178.3	56.1	0	0	0	0	111.2	I304 I352 Y353 M360 H531	I304-T356 HydrophobicContact CD1-CG2 3.47Å; I304-T356 VanDerWaalsContact CD1-CG2 3.47Å; I352-T356 HydrophobicContact CG2-CG2 4.35Å; I352-T356 WeakPolarHBondContact O-CB 3.36Å; I352-T356 VanDerWaalsContact O-CG2 3.24Å; I352-T356 WeakPolarHBondContact O-CG2 3.42Å; I352-T356 PolarHBondContact O-N 3.38Å; I352-T356 PolarHBondContact O-OG1 3.05Å; I352-T356 VanDerWaalsContact O-OG1 3.05Å; Y353-T356 PolarHBondContact O-N 3.46Å; Y353-T356 PolarHBondContact O-OG1 2.64Å; T356-M360 VanDerWaalsContact O-CB 3.25Å; T356-M360 WeakPolarHBondContact O-CB 3.21Å; T356-M360 WeakPolarHBondContact O-CG 3.24Å; T356-M360 PolarHBondContact O-N 3.27Å; T356-H531 WeakPolarHBondContact CG2-NE2 3.14Å; T356-H531 PolarHBondContact OG1-NE2 3.09Å
357	K	94.6	Very high	93.3	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.017	17%	0.166	C	C	.	.	H	α-helix	trans	-69.8	-40.1	176.6	-57.7	-37.6	161.6	-142.9	0	112.5	Y353 L354 A355 W359 M360 Y361 L479 M482	Y353-K357 HydrophobicContact CD2-CG 4.11Å; Y353-K357 HydrophobicContact CE1-CG 4.47Å; Y353-K357 HydrophobicContact CE2-CD 4.13Å; Y353-K357 HydrophobicContact CE2-CG 3.63Å; Y353-K357 WeakPolarHBondContact O-CG 3.34Å; Y353-K357 PolarHBondContact O-N 3.35Å; L354-K357 PolarHBondContact O-N 2.97Å; A355-K357 VanDerWaalsContact C-N 3.3Å; A355-K357 PolarHBondContact O-N 2.95Å; K357-W359 VanDerWaalsContact C-N 3.35Å; K357-W359 PolarHBondContact O-N 3.12Å; K357-M360 HydrophobicContact CD-SD 3.9Å; K357-M360 PolarHBondContact O-N 3.49Å; K357-Y361 HydrophobicContact CB-CD2 4.34Å; K357-Y361 HydrophobicContact CB-CE2 4.23Å; K357-Y361 WeakPolarHBondContact O-CD2 2.98Å; K357-Y361 PolarHBondContact O-N 3.37Å; K357-L479 HydrophobicContact CD-CD1 4.26Å; K357-M482 HydrophobicContact CB-CE 4.38Å; K357-M482 HydrophobicContact CD-CE 3.72Å; K357-M482 HydrophobicContact CD-SD 4.35Å; K357-M482 HydrophobicContact CG-CE 4.42Å
358	F	96.9	Very high	94.1	Very high	99 Å²	99	36.2 Å²	36.2	43%	0.434	16%	0.163	S	C	.	.	H	α-helix	trans	-56.4	-49.1	175.1	176.2	-93.4	0	0	0	111.8	F301 L354 A355 Y361 S362	F301-F358 HydrophobicContact CD1-CB 4.06Å; F301-F358 AromaticContact CD1-CD1 3.95Å; F301-F358 HydrophobicContact CD1-CD1 3.95Å; F301-F358 AromaticContact CD1-CG 3.99Å; F301-F358 HydrophobicContact CD1-CG 3.99Å; F301-F358 HydrophobicContact CE1-CB 3.54Å; F301-F358 HydrophobicContact CE1-CD1 4.19Å; F301-F358 HydrophobicContact CE1-CD2 4.28Å; F301-F358 AromaticContact CE1-CG 3.74Å; F301-F358 HydrophobicContact CE1-CG 3.74Å; L354-F358 WeakPolarHBondContact O-CB 3.48Å; L354-F358 PolarHBondContact O-N 2.72Å; A355-F358 PolarHBondContact O-N 3.25Å; F358-Y361 PolarHBondContact O-N 3.47Å; F358-S362 WeakPolarHBondContact O-CB 3.43Å; F358-S362 PolarHBondContact O-N 2.93Å; F358-S362 PolarHBondContact O-OG 3.43Å
359	W	97.3	Very high	94.5	Very high	45 Å²	45	38.2 Å²	38.2	17%	0.17	17%	0.168	C	C	.	.	H	α-helix	trans	-71.7	-33.1	179.3	-69.5	119.3	0	0	0	113.4	F301 I304 W305 A355 K357 T363 W520 M524	F301-W359 PolarHBondContact O-NE1 3.19Å; I304-W359 HydrophobicContact CG2-CB 4.48Å; I304-W359 HydrophobicContact CG2-CG 4.26Å; W305-W359 HydrophobicContact CB-CD2 4.42Å; W305-W359 HydrophobicContact CB-CH2 3.98Å; W305-W359 HydrophobicContact CB-CZ2 3.4Å; W305-W359 VanDerWaalsContact CB-CZ2 3.4Å; W305-W359 AromaticContact CD1-CH2 3.35Å; W305-W359 AromaticContact CD1-CZ2 3.74Å; W305-W359 AromaticContact CD1-CZ3 3.67Å; W305-W359 AromaticContact CG-CH2 3.72Å; W305-W359 HydrophobicContact CG-CH2 3.72Å; W305-W359 AromaticContact CG-CZ2 3.66Å; W305-W359 HydrophobicContact CG-CZ2 3.66Å; W305-W359 HydrophobicContact CG-CZ3 4.4Å; A355-W359 PolarHBondContact O-N 3.33Å; K357-W359 VanDerWaalsContact C-N 3.35Å; K357-W359 PolarHBondContact O-N 3.12Å; W359-T363 WeakPolarHBondContact O-CB 3.4Å; W359-T363 PolarHBondContact O-N 3.06Å; W359-T363 PolarHBondContact O-OG1 2.97Å; W359-W520 HydrophobicContact CB-CZ2 4.43Å; W359-W520 HydrophobicContact CD2-CH2 4.08Å; W359-W520 HydrophobicContact CD2-CZ2 4.42Å; W359-W520 AromaticContact CE3-CH2 3.77Å; W359-W520 HydrophobicContact CE3-CH2 3.77Å; W359-W520 AromaticContact CE3-CZ2 3.88Å; W359-W520 HydrophobicContact CE3-CZ2 3.88Å; W359-W520 HydrophobicContact CG-CH2 4.42Å; W359-W520 HydrophobicContact CZ3-CH2 4.34Å; W359-M524 HydrophobicContact CB-CE 4.32Å; W359-M524 HydrophobicContact CB-SD 4.13Å
360	M	96.8	Very high	94.8	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-59.7	-52.1	169.9	-81.1	173.9	-179.7	0	0	111.4	T356 K357 S362 T363 W364 M482 M486 N527	T356-M360 VanDerWaalsContact O-CB 3.25Å; T356-M360 WeakPolarHBondContact O-CB 3.21Å; T356-M360 WeakPolarHBondContact O-CG 3.24Å; T356-M360 PolarHBondContact O-N 3.27Å; K357-M360 HydrophobicContact CD-SD 3.9Å; K357-M360 PolarHBondContact O-N 3.49Å; M360-S362 PolarHBondContact O-N 3.26Å; M360-T363 PolarHBondContact O-N 2.88Å; M360-W364 PolarHBondContact O-N 3.13Å; M360-M482 HydrophobicContact CB-CE 3.91Å; M360-M482 HydrophobicContact SD-CE 4.16Å; M360-M482 HydrophobicContact SD-SD 4.2Å; M360-M486 VanDerWaalsContact C-CE 3.5Å; M360-M486 HydrophobicContact CB-CE 3.67Å; M360-M486 HydrophobicContact CG-CE 4.09Å; M360-M486 HydrophobicContact CG-CG 4.22Å; M360-M486 WeakPolarHBondContact O-CE 3.47Å; M360-N527 HydrophobicContact CE-CB 4.17Å
361	Y	97.5	Very high	95	Very high	23 Å²	23	45.3 Å²	45.3	9%	0.09	20%	0.204	C	C	.	.	H	α-helix	trans	-63.8	-42.7	177.6	-75.6	-63.6	0	0	0	112.1	K357 F358 T363 W364 F365 F381 T385 F389 M482	K357-Y361 HydrophobicContact CB-CD2 4.34Å; K357-Y361 HydrophobicContact CB-CE2 4.23Å; K357-Y361 WeakPolarHBondContact O-CD2 2.98Å; K357-Y361 PolarHBondContact O-N 3.37Å; F358-Y361 PolarHBondContact O-N 3.47Å; Y361-T363 VanDerWaalsContact C-N 3.28Å; Y361-T363 PolarHBondContact O-N 2.97Å; Y361-W364 WeakPolarHBondContact O-CB 3.35Å; Y361-W364 PolarHBondContact O-N 3.45Å; Y361-W364 VanDerWaalsContact O-N 3.12Å; Y361-F365 HydrophobicContact CD1-CE2 4.46Å; Y361-F365 WeakPolarHBondContact O-CD2 3.41Å; Y361-F365 PolarHBondContact O-N 2.89Å; Y361-F381 AromaticContact CD1-CE1 3.97Å; Y361-F381 HydrophobicContact CD1-CE1 3.97Å; Y361-F381 AromaticContact CD1-CZ 3.56Å; Y361-F381 HydrophobicContact CD1-CZ 3.56Å; Y361-F381 AromaticContact CE1-CE1 3.89Å; Y361-F381 HydrophobicContact CE1-CE1 3.89Å; Y361-F381 HydrophobicContact CE1-CE2 4.2Å; Y361-F381 AromaticContact CE1-CZ 3.38Å; Y361-F381 HydrophobicContact CE1-CZ 3.38Å; Y361-T385 HydrophobicContact CE1-CG2 3.57Å; Y361-T385 WeakPolarHBondContact CE1-OG1 3.24Å; Y361-T385 WeakPolarHBondContact OH-CG2 3.19Å; Y361-T385 PolarHBondContact OH-OG1 2.89Å; Y361-F389 HydrophobicContact CD2-CE2 4.45Å; Y361-F389 HydrophobicContact CD2-CZ 4.33Å; Y361-F389 AromaticContact CE2-CE2 3.59Å; Y361-F389 HydrophobicContact CE2-CE2 3.59Å; Y361-F389 AromaticContact CE2-CZ 3.64Å; Y361-F389 HydrophobicContact CE2-CZ 3.64Å; Y361-F389 AromaticContact CZ-CE2 3.77Å; Y361-M482 HydrophobicContact CD2-CE 4.08Å; Y361-M482 HydrophobicContact CE1-CE 4.08Å; Y361-M482 HydrophobicContact CE2-CE 3.53Å
362	S	97.3	Very high	95.2	Very high	20 Å²	20	46 Å²	46	14%	0.14	21%	0.208	C	C	.	.	H	α-helix	trans	-56.1	-47	174.7	-58.5	0	0	0	0	110.5	F358 M360 W364 F365 Y366	F358-S362 WeakPolarHBondContact O-CB 3.43Å; F358-S362 PolarHBondContact O-N 2.93Å; F358-S362 PolarHBondContact O-OG 3.43Å; M360-S362 PolarHBondContact O-N 3.26Å; S362-W364 VanDerWaalsContact C-N 3.3Å; S362-W364 PolarHBondContact O-N 3.28Å; S362-F365 PolarHBondContact O-N 3.28Å; S362-Y366 WeakPolarHBondContact O-CB 3.36Å; S362-Y366 WeakPolarHBondContact O-CD2 3.43Å; S362-Y366 PolarHBondContact O-N 3.13Å
363	T	96.8	Very high	95.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-59.1	-43.1	177.3	-57.3	0	0	0	0	111.7	W359 M360 Y361 F365 W367 F368 W520 I521 M524	W359-T363 WeakPolarHBondContact O-CB 3.4Å; W359-T363 PolarHBondContact O-N 3.06Å; W359-T363 PolarHBondContact O-OG1 2.97Å; M360-T363 PolarHBondContact O-N 2.88Å; Y361-T363 VanDerWaalsContact C-N 3.28Å; Y361-T363 PolarHBondContact O-N 2.97Å; T363-F365 PolarHBondContact O-N 2.92Å; T363-W367 HydrophobicContact CG2-CB 4.37Å; T363-W367 HydrophobicContact CG2-CD2 4.46Å; T363-W367 HydrophobicContact CG2-CE3 4.17Å; T363-W367 WeakPolarHBondContact O-CB 3.05Å; T363-W367 PolarHBondContact O-N 3.04Å; T363-F368 HydrophobicContact CG2-CE1 4.39Å; T363-F368 HydrophobicContact CG2-CE2 4.22Å; T363-F368 HydrophobicContact CG2-CZ 3.89Å; T363-W520 PolarHBondContact OG1-NE1 3.19Å; T363-I521 HydrophobicContact CG2-CD1 3.48Å; T363-I521 VanDerWaalsContact CG2-CD1 3.48Å; T363-M524 HydrophobicContact CG2-CG 4.08Å; T363-M524 WeakPolarHBondContact OG1-CG 3.46Å
364	W	97.9	Very high	95.6	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	24%	0.238	C	C	.	.	I	π-helix	trans	-57.5	-47.7	177.3	-167.8	-81.8	0	0	0	112.8	M360 Y361 S362 F368 W369 V377 H378 F381 W485 M486	M360-W364 PolarHBondContact O-N 3.13Å; Y361-W364 WeakPolarHBondContact O-CB 3.35Å; Y361-W364 PolarHBondContact O-N 3.45Å; Y361-W364 VanDerWaalsContact O-N 3.12Å; S362-W364 VanDerWaalsContact C-N 3.3Å; S362-W364 PolarHBondContact O-N 3.28Å; W364-F368 HydrophobicContact CB-CD2 4.41Å; W364-F368 HydrophobicContact CD2-CD2 4.04Å; W364-F368 AromaticContact CE3-CD2 3.65Å; W364-F368 HydrophobicContact CE3-CD2 3.65Å; W364-F368 HydrophobicContact CE3-CE2 4.17Å; W364-F368 HydrophobicContact CG-CD2 4.39Å; W364-F368 HydrophobicContact CZ3-CD2 4.18Å; W364-F368 WeakPolarHBondContact O-CB 3.33Å; W364-F368 PolarHBondContact O-N 2.92Å; W364-W369 PolarHBondContact O-N 2.95Å; W364-W369 VanDerWaalsContact O-N 3.14Å; W364-V377 HydrophobicContact CH2-CG1 4.08Å; W364-V377 HydrophobicContact CZ2-CG1 3.9Å; W364-H378 AromaticContact CE2-ND1 3.86Å; W364-H378 AromaticContact CZ2-ND1 3.93Å; W364-H378 AromaticContact NE1-CE1 3.8Å; W364-H378 AromaticContact NE1-ND1 3.29Å; W364-H378 PolarHBondContact NE1-ND1 2.92Å; W364-F381 HydrophobicContact CB-CE1 4.32Å; W364-F381 HydrophobicContact CB-CZ 4.14Å; W364-F381 AromaticContact CD1-CD1 3.82Å; W364-F381 AromaticContact CD1-CE1 3.46Å; W364-F381 VanDerWaalsContact CD1-CE1 3.46Å; W364-F381 AromaticContact CD2-CD1 3.92Å; W364-F381 HydrophobicContact CD2-CD1 3.92Å; W364-F381 HydrophobicContact CD2-CD2 4.03Å; W364-F381 AromaticContact CD2-CE1 3.62Å; W364-F381 HydrophobicContact CD2-CE1 3.62Å; W364-F381 AromaticContact CD2-CE2 3.74Å; W364-F381 HydrophobicContact CD2-CE2 3.74Å; W364-F381 HydrophobicContact CD2-CG 4.09Å; W364-F381 AromaticContact CD2-CZ 3.5Å; W364-F381 HydrophobicContact CD2-CZ 3.5Å; W364-F381 VanDerWaalsContact CD2-CZ 3.5Å; W364-F381 AromaticContact CE2-CD1 3.38Å; W364-F381 AromaticContact CE2-CD2 3.83Å; W364-F381 AromaticContact CE2-CE1 3.6Å; W364-F381 AromaticContact CE2-CG 3.48Å; W364-F381 VanDerWaalsContact CE2-CG 3.48Å; W364-F381 AromaticContact CE2-CZ 3.89Å; W364-F381 HydrophobicContact CE3-CD2 4.03Å; W364-F381 HydrophobicContact CE3-CE1 4.39Å; W364-F381 AromaticContact CE3-CE2 3.66Å; W364-F381 HydrophobicContact CE3-CE2 3.66Å; W364-F381 AromaticContact CE3-CZ 3.84Å; W364-F381 HydrophobicContact CE3-CZ 3.84Å; W364-F381 HydrophobicContact CG-CD1 4.17Å; W364-F381 AromaticContact CG-CE1 3.54Å; W364-F381 HydrophobicContact CG-CE1 3.54Å; W364-F381 HydrophobicContact CG-CE2 4.35Å; W364-F381 AromaticContact CG-CZ 3.63Å; W364-F381 HydrophobicContact CG-CZ 3.63Å; W364-F381 HydrophobicContact CH2-CB 4.12Å; W364-F381 AromaticContact CH2-CD2 3.67Å; W364-F381 HydrophobicContact CH2-CD2 3.67Å; W364-F381 HydrophobicContact CH2-CE2 4.17Å; W364-F381 AromaticContact CH2-CG 3.88Å; W364-F381 HydrophobicContact CH2-CG 3.88Å; W364-F381 HydrophobicContact CZ2-CB 3.54Å; W364-F381 AromaticContact CZ2-CD1 3.77Å; W364-F381 HydrophobicContact CZ2-CD1 3.77Å; W364-F381 AromaticContact CZ2-CD2 3.64Å; W364-F381 HydrophobicContact CZ2-CD2 3.64Å; W364-F381 HydrophobicContact CZ2-CE1 4.34Å; W364-F381 HydrophobicContact CZ2-CE2 4.22Å; W364-F381 AromaticContact CZ2-CG 3.35Å; W364-F381 HydrophobicContact CZ2-CG 3.35Å; W364-F381 AromaticContact CZ3-CD2 3.87Å; W364-F381 HydrophobicContact CZ3-CD2 3.87Å; W364-F381 AromaticContact CZ3-CE2 3.91Å; W364-F381 HydrophobicContact CZ3-CE2 3.91Å; W364-F381 HydrophobicContact CZ3-CG 4.43Å; W364-F381 HydrophobicContact CZ3-CZ 4.5Å; W364-F381 AromaticContact NE1-CD1 3.31Å; W364-F381 VanDerWaalsContact NE1-CD1 3.31Å; W364-F381 AromaticContact NE1-CE1 3.47Å; W364-F381 AromaticContact NE1-CG 3.9Å; W364-W485 HydrophobicContact CH2-CB 3.81Å; W364-W485 HydrophobicContact CH2-CE3 4.21Å; W364-W485 HydrophobicContact CH2-CG 4.42Å; W364-W485 HydrophobicContact CZ3-CB 3.82Å; W364-W485 VanDerWaalsContact CZ3-O 3.31Å; W364-W485 WeakPolarHBondContact CZ3-O 3.33Å; W364-M486 HydrophobicContact CB-CE 4.38Å; W364-M486 HydrophobicContact CE3-CE 4.01Å
365	F	96.4	Very high	95.7	Very high	89 Å²	89	52.9 Å²	52.9	39%	0.39	26%	0.255	S	S	.	.	I	π-helix	trans	-76.7	-33	-176.4	-71.4	-71.2	0	0	0	113.5	Y361 S362 T363 W369 L382	Y361-F365 HydrophobicContact CD1-CE2 4.46Å; Y361-F365 WeakPolarHBondContact O-CD2 3.41Å; Y361-F365 PolarHBondContact O-N 2.89Å; S362-F365 PolarHBondContact O-N 3.28Å; T363-F365 PolarHBondContact O-N 2.92Å; F365-W369 HydrophobicContact CD1-CD2 4.09Å; F365-W369 AromaticContact CD1-CE3 3.46Å; F365-W369 HydrophobicContact CD1-CE3 3.46Å; F365-W369 VanDerWaalsContact CD1-CE3 3.46Å; F365-W369 HydrophobicContact CD1-CH2 4.43Å; F365-W369 AromaticContact CD1-CZ3 3.67Å; F365-W369 HydrophobicContact CD1-CZ3 3.67Å; F365-W369 AromaticContact CE1-CE3 3.67Å; F365-W369 HydrophobicContact CE1-CE3 3.67Å; F365-W369 AromaticContact CE1-CH2 3.98Å; F365-W369 HydrophobicContact CE1-CH2 3.98Å; F365-W369 AromaticContact CE1-CZ3 3.33Å; F365-W369 HydrophobicContact CE1-CZ3 3.33Å; F365-W369 HydrophobicContact CZ-CZ3 4.43Å; F365-W369 WeakPolarHBondContact O-CB 3.3Å; F365-L382 HydrophobicContact CZ-CD2 4.2Å
366	Y	94.9	Very high	95.6	Very high	185 Å²	185	57.4 Å²	57.4	73%	0.725	28%	0.283	S	S	*	.	I	π-helix	trans	-88.6	-35.6	-177.8	-75	-71.7	0	0	0	113.6	S362	S362-Y366 WeakPolarHBondContact O-CB 3.36Å; S362-Y366 WeakPolarHBondContact O-CD2 3.43Å; S362-Y366 PolarHBondContact O-N 3.13Å
367	W	94.8	Very high	95.7	Very high	80 Å²	80	57.4 Å²	57.4	30%	0.303	28%	0.283	S	S	.	.	I	π-helix	trans	-105.4	-29.9	-175.4	-75.9	-101.1	0	0	0	114.2	T363 Y493 W520 I521	T363-W367 HydrophobicContact CG2-CB 4.37Å; T363-W367 HydrophobicContact CG2-CD2 4.46Å; T363-W367 HydrophobicContact CG2-CE3 4.17Å; T363-W367 WeakPolarHBondContact O-CB 3.05Å; T363-W367 PolarHBondContact O-N 3.04Å; W367-Y493 HydrophobicContact CB-CD2 4.31Å; W367-Y493 HydrophobicContact CB-CE2 4.21Å; W367-Y493 AromaticContact CD1-CE2 3.74Å; W367-Y493 AromaticContact CD1-CZ 3.91Å; W367-Y493 HydrophobicContact CG-CE2 4.4Å; W367-W520 AromaticContact CE2-CD1 3.84Å; W367-W520 AromaticContact CH2-CD1 3.93Å; W367-W520 HydrophobicContact CH2-CG 4.48Å; W367-W520 AromaticContact CH2-NE1 3.81Å; W367-W520 AromaticContact CZ2-CD1 3.72Å; W367-W520 HydrophobicContact CZ2-CG 4.18Å; W367-W520 AromaticContact CZ3-NE1 3.84Å; W367-I521 HydrophobicContact CB-CD1 3.87Å; W367-I521 HydrophobicContact CD2-CD1 4.31Å; W367-I521 HydrophobicContact CG-CD1 3.72Å; W367-I521 HydrophobicContact CG-CG1 4.45Å
368	F	96.6	Very high	95.8	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.009	28%	0.283	C	S	.	.	I	π-helix	trans	-105.5	-18.7	-172.4	-53	-25.1	0	0	0	114	T363 W364 N370 D371 L372 M486 G489 Y493 I521	T363-F368 HydrophobicContact CG2-CE1 4.39Å; T363-F368 HydrophobicContact CG2-CE2 4.22Å; T363-F368 HydrophobicContact CG2-CZ 3.89Å; W364-F368 HydrophobicContact CB-CD2 4.41Å; W364-F368 HydrophobicContact CD2-CD2 4.04Å; W364-F368 AromaticContact CE3-CD2 3.65Å; W364-F368 HydrophobicContact CE3-CD2 3.65Å; W364-F368 HydrophobicContact CE3-CE2 4.17Å; W364-F368 HydrophobicContact CG-CD2 4.39Å; W364-F368 HydrophobicContact CZ3-CD2 4.18Å; W364-F368 WeakPolarHBondContact O-CB 3.33Å; W364-F368 PolarHBondContact O-N 2.92Å; F368-N370 PolarHBondContact O-N 3Å; F368-D371 PolarHBondContact O-N 2.97Å; F368-L372 HydrophobicContact CB-CD1 3.83Å; F368-L372 HydrophobicContact CB-CG 4.39Å; F368-L372 HydrophobicContact CG-CD1 4.45Å; F368-L372 PolarHBondContact O-N 2.83Å; F368-M486 HydrophobicContact CE2-CE 4.36Å; F368-M486 HydrophobicContact CE2-SD 3.67Å; F368-M486 HydrophobicContact CZ-SD 4.3Å; F368-G489 VanDerWaalsContact CZ-C 3.47Å; F368-Y493 HydrophobicContact CD1-CD2 4.21Å; F368-Y493 HydrophobicContact CE1-CD2 4.23Å; F368-Y493 HydrophobicContact CE1-CG 4.18Å; F368-I521 HydrophobicContact CE1-CD1 3.72Å; F368-I521 HydrophobicContact CZ-CD1 3.99Å
369	W	95.2	Very high	95.8	Very high	85 Å²	85	56.9 Å²	56.9	32%	0.322	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-37.1	-168.7	-170.1	-94.8	0	0	0	114.5	W364 F365 F374 H378 L382	W364-W369 PolarHBondContact O-N 2.95Å; W364-W369 VanDerWaalsContact O-N 3.14Å; F365-W369 HydrophobicContact CD1-CD2 4.09Å; F365-W369 AromaticContact CD1-CE3 3.46Å; F365-W369 HydrophobicContact CD1-CE3 3.46Å; F365-W369 VanDerWaalsContact CD1-CE3 3.46Å; F365-W369 HydrophobicContact CD1-CH2 4.43Å; F365-W369 AromaticContact CD1-CZ3 3.67Å; F365-W369 HydrophobicContact CD1-CZ3 3.67Å; F365-W369 AromaticContact CE1-CE3 3.67Å; F365-W369 HydrophobicContact CE1-CE3 3.67Å; F365-W369 AromaticContact CE1-CH2 3.98Å; F365-W369 HydrophobicContact CE1-CH2 3.98Å; F365-W369 AromaticContact CE1-CZ3 3.33Å; F365-W369 HydrophobicContact CE1-CZ3 3.33Å; F365-W369 HydrophobicContact CZ-CZ3 4.43Å; F365-W369 WeakPolarHBondContact O-CB 3.3Å; W369-F374 HydrophobicContact CH2-CD2 4.44Å; W369-F374 AromaticContact CH2-CE2 3.93Å; W369-F374 HydrophobicContact CH2-CE2 3.93Å; W369-F374 HydrophobicContact CZ2-CD2 4.31Å; W369-F374 AromaticContact CZ2-CE2 3.96Å; W369-F374 HydrophobicContact CZ2-CE2 3.96Å; W369-H378 HydrophobicContact CZ3-CB 4.24Å; W369-H378 PolarHBondContact O-NE2 3.18Å; W369-H378 VanDerWaalsContact O-NE2 3.08Å; W369-L382 HydrophobicContact CH2-CD1 4.4Å
370	N	93.9	Very high	95.8	Very high	142 Å²	142	57.1 Å²	57.1	76%	0.759	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-18.1	-177.9	-65.6	-35.5	0	0	0	112.8	F368	F368-N370 PolarHBondContact O-N 3Å
371	D	92.8	Very high	95.8	Very high	56 Å²	56	57.1 Å²	57.1	30%	0.299	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-25	-171.3	-56.4	-28.7	0	0	0	113.2	F368 M496 H497	F368-D371 PolarHBondContact O-N 2.97Å; D371-M496 HydrophobicContact CB-CE 3.35Å; D371-M496 HydrophobicContact CB-SD 3.91Å; D371-H497 VanDerWaalsContact CG-NE2 3.34Å; D371-H497 IonicContact OD1-CE1 3.54Å; D371-H497 IonicContact OD1-NE2 3.79Å; D371-H497 IonicContact OD2-CD2 3.41Å; D371-H497 IonicContact OD2-CE1 3.67Å; D371-H497 IonicContact OD2-NE2 2.85Å; D371-H497 PolarHBondContact OD2-NE2 3.27Å
372	L	94.9	Very high	95.8	Very high	16 Å²	16	58.8 Å²	58.8	8%	0.084	30%	0.301	C	S	.	.	S	Bend	trans	-100.1	147.9	-174.3	-59.7	179.8	0	0	0	112.4	F368 F374 V377 H378 Y488 M496	F368-L372 HydrophobicContact CB-CD1 3.83Å; F368-L372 HydrophobicContact CB-CG 4.39Å; F368-L372 HydrophobicContact CG-CD1 4.45Å; F368-L372 PolarHBondContact O-N 2.83Å; L372-F374 PolarHBondContact O-N 3.45Å; L372-V377 HydrophobicContact CB-CB 4.3Å; L372-V377 HydrophobicContact CB-CG1 4.15Å; L372-V377 HydrophobicContact CD1-CG1 3.91Å; L372-H378 PolarHBondContact O-NE2 3.1Å; L372-Y488 HydrophobicContact CD1-CE1 4.46Å; L372-Y488 HydrophobicContact CD2-CE1 4.49Å; L372-M496 HydrophobicContact CD2-CE 3.97Å
373	P	95	Very high	95.9	Very high	73 Å²	73	62.5 Å²	62.5	47%	0.474	32%	0.322	S	S	.	.			trans	-67.9	129.7	-179.4	-18	30	0	0	0	112.6	A375 T376 V377 H378	P373-A375 PolarHBondContact O-N 2.92Å; P373-T376 WeakPolarHBondContact CB-OG1 3.08Å; P373-V377 WeakPolarHBondContact O-CB 3.4Å; P373-V377 PolarHBondContact O-N 3.26Å; P373-H378 PolarHBondContact O-N 3.24Å
374	F	94.3	Very high	95.9	Very high	109 Å²	109	63 Å²	63	48%	0.478	33%	0.325	S	S	.	.	I	π-helix	trans	-60.9	-49.4	-176.3	-173.5	-93.7	0	0	0	113.7	W369 L372 H378 M379	W369-F374 HydrophobicContact CH2-CD2 4.44Å; W369-F374 AromaticContact CH2-CE2 3.93Å; W369-F374 HydrophobicContact CH2-CE2 3.93Å; W369-F374 HydrophobicContact CZ2-CD2 4.31Å; W369-F374 AromaticContact CZ2-CE2 3.96Å; W369-F374 HydrophobicContact CZ2-CE2 3.96Å; L372-F374 PolarHBondContact O-N 3.45Å; F374-H378 HydrophobicContact CD2-CB 3.87Å; F374-H378 AromaticContact CD2-CD2 3.98Å; F374-H378 HydrophobicContact CE2-CB 4.26Å; F374-H378 HydrophobicContact CG-CB 4.39Å; F374-H378 PolarHBondContact O-N 2.88Å; F374-M379 HydrophobicContact CD1-CG 3.93Å; F374-M379 HydrophobicContact CE1-CG 3.54Å; F374-M379 HydrophobicContact CE1-SD 3.71Å; F374-M379 HydrophobicContact CZ-CG 4.15Å; F374-M379 HydrophobicContact CZ-SD 3.94Å; F374-M379 PolarHBondContact O-N 2.94Å
375	A	94.7	Very high	95.9	Very high	77 Å²	77	63.9 Å²	63.9	64%	0.636	33%	0.331	S	S	*	.	I	π-helix	trans	-68.7	-38.3	-173.2	0	0	0	0	0	113.6	P373	P373-A375 PolarHBondContact O-N 2.92Å
376	T	95.1	Very high	96	Very high	96 Å²	96	65.9 Å²	65.9	59%	0.589	34%	0.344	S	S	*	.	I	π-helix	trans	-97.5	-17.8	-173.1	55.6	0	0	0	0	113.8	P373 P380	P373-T376 WeakPolarHBondContact CB-OG1 3.08Å; T376-P380 WeakPolarHBondContact O-CG 3.24Å
377	V	96.2	Very high	96.1	Very high	4 Å²	4	58.1 Å²	58.1	2%	0.024	32%	0.319	C	S	.	.	I	π-helix	trans	-120.1	-57	-177.9	-178	0	0	0	0	111.7	W364 L372 P373 P380 F381 W485 Y488	W364-V377 HydrophobicContact CH2-CG1 4.08Å; W364-V377 HydrophobicContact CZ2-CG1 3.9Å; L372-V377 HydrophobicContact CB-CB 4.3Å; L372-V377 HydrophobicContact CB-CG1 4.15Å; L372-V377 HydrophobicContact CD1-CG1 3.91Å; P373-V377 WeakPolarHBondContact O-CB 3.4Å; P373-V377 PolarHBondContact O-N 3.26Å; V377-P380 WeakPolarHBondContact O-CD 3.33Å; V377-F381 VanDerWaalsContact O-CB 3.27Å; V377-F381 WeakPolarHBondContact O-CB 3.36Å; V377-F381 PolarHBondContact O-N 3.47Å; V377-W485 HydrophobicContact CG1-CE3 4.23Å; V377-W485 HydrophobicContact CG1-CZ3 3.97Å; V377-Y488 HydrophobicContact CG1-CD1 4.42Å; V377-Y488 HydrophobicContact CG1-CE1 4.01Å; V377-Y488 HydrophobicContact CG2-CE1 3.96Å
378	H	96.1	Very high	96.3	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.009	30%	0.304	C	S	.	.	I	π-helix	trans	-68	-43	-175.4	-61.9	-38.4	0	0	0	112.9	W364 W369 L372 P373 F374 F381 L382	W364-H378 AromaticContact CE2-ND1 3.86Å; W364-H378 AromaticContact CZ2-ND1 3.93Å; W364-H378 AromaticContact NE1-CE1 3.8Å; W364-H378 AromaticContact NE1-ND1 3.29Å; W364-H378 PolarHBondContact NE1-ND1 2.92Å; W369-H378 HydrophobicContact CZ3-CB 4.24Å; W369-H378 PolarHBondContact O-NE2 3.18Å; W369-H378 VanDerWaalsContact O-NE2 3.08Å; L372-H378 PolarHBondContact O-NE2 3.1Å; P373-H378 PolarHBondContact O-N 3.24Å; F374-H378 HydrophobicContact CD2-CB 3.87Å; F374-H378 AromaticContact CD2-CD2 3.98Å; F374-H378 HydrophobicContact CE2-CB 4.26Å; F374-H378 HydrophobicContact CG-CB 4.39Å; F374-H378 PolarHBondContact O-N 2.88Å; H378-F381 PolarHBondContact O-N 3.37Å; H378-L382 WeakPolarHBondContact O-CB 3.38Å; H378-L382 VanDerWaalsContact O-CG 3.27Å; H378-L382 WeakPolarHBondContact O-CG 3.32Å; H378-L382 PolarHBondContact O-N 3.05Å
379	M	97.1	Very high	96.3	Very high	90 Å²	90	58.7 Å²	58.7	44%	0.443	32%	0.324	S	S	.	.	H	α-helix	trans	-59.9	-52.4	178.2	-78.8	-65.9	-72	0	0	112.4	F374 F381 L382 V383	F374-M379 HydrophobicContact CD1-CG 3.93Å; F374-M379 HydrophobicContact CE1-CG 3.54Å; F374-M379 HydrophobicContact CE1-SD 3.71Å; F374-M379 HydrophobicContact CZ-CG 4.15Å; F374-M379 HydrophobicContact CZ-SD 3.94Å; F374-M379 PolarHBondContact O-N 2.94Å; M379-F381 VanDerWaalsContact C-N 3.33Å; M379-F381 PolarHBondContact O-N 2.81Å; M379-L382 PolarHBondContact O-N 3.5Å; M379-V383 WeakPolarHBondContact O-CG2 3.26Å; M379-V383 PolarHBondContact O-N 3.07Å
380	P	97.7	Very high	96.4	Very high	50 Å²	50	60.7 Å²	60.7	33%	0.325	33%	0.332	S	S	.	.	H	α-helix	trans	-59	-39.2	173.5	-28.2	37.3	0	0	0	114	T376 V377 V383 N384 W485	T376-P380 WeakPolarHBondContact O-CG 3.24Å; V377-P380 WeakPolarHBondContact O-CD 3.33Å; P380-V383 PolarHBondContact O-N 3.1Å; P380-N384 VanDerWaalsContact O-CB 3.31Å; P380-N384 WeakPolarHBondContact O-CB 3.09Å; P380-N384 PolarHBondContact O-N 2.87Å; P380-W485 HydrophobicContact CB-CH2 4.17Å; P380-W485 HydrophobicContact CB-CZ2 3.66Å
381	F	97.3	Very high	96.6	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61.7	-44	176.2	172.2	-100.8	0	0	0	112.3	Y361 W364 V377 H378 M379 N384 T385 M482 W485	Y361-F381 AromaticContact CD1-CE1 3.97Å; Y361-F381 HydrophobicContact CD1-CE1 3.97Å; Y361-F381 AromaticContact CD1-CZ 3.56Å; Y361-F381 HydrophobicContact CD1-CZ 3.56Å; Y361-F381 AromaticContact CE1-CE1 3.89Å; Y361-F381 HydrophobicContact CE1-CE1 3.89Å; Y361-F381 HydrophobicContact CE1-CE2 4.2Å; Y361-F381 AromaticContact CE1-CZ 3.38Å; Y361-F381 HydrophobicContact CE1-CZ 3.38Å; W364-F381 HydrophobicContact CB-CE1 4.32Å; W364-F381 HydrophobicContact CB-CZ 4.14Å; W364-F381 AromaticContact CD1-CD1 3.82Å; W364-F381 AromaticContact CD1-CE1 3.46Å; W364-F381 VanDerWaalsContact CD1-CE1 3.46Å; W364-F381 AromaticContact CD2-CD1 3.92Å; W364-F381 HydrophobicContact CD2-CD1 3.92Å; W364-F381 HydrophobicContact CD2-CD2 4.03Å; W364-F381 AromaticContact CD2-CE1 3.62Å; W364-F381 HydrophobicContact CD2-CE1 3.62Å; W364-F381 AromaticContact CD2-CE2 3.74Å; W364-F381 HydrophobicContact CD2-CE2 3.74Å; W364-F381 HydrophobicContact CD2-CG 4.09Å; W364-F381 AromaticContact CD2-CZ 3.5Å; W364-F381 HydrophobicContact CD2-CZ 3.5Å; W364-F381 VanDerWaalsContact CD2-CZ 3.5Å; W364-F381 AromaticContact CE2-CD1 3.38Å; W364-F381 AromaticContact CE2-CD2 3.83Å; W364-F381 AromaticContact CE2-CE1 3.6Å; W364-F381 AromaticContact CE2-CG 3.48Å; W364-F381 VanDerWaalsContact CE2-CG 3.48Å; W364-F381 AromaticContact CE2-CZ 3.89Å; W364-F381 HydrophobicContact CE3-CD2 4.03Å; W364-F381 HydrophobicContact CE3-CE1 4.39Å; W364-F381 AromaticContact CE3-CE2 3.66Å; W364-F381 HydrophobicContact CE3-CE2 3.66Å; W364-F381 AromaticContact CE3-CZ 3.84Å; W364-F381 HydrophobicContact CE3-CZ 3.84Å; W364-F381 HydrophobicContact CG-CD1 4.17Å; W364-F381 AromaticContact CG-CE1 3.54Å; W364-F381 HydrophobicContact CG-CE1 3.54Å; W364-F381 HydrophobicContact CG-CE2 4.35Å; W364-F381 AromaticContact CG-CZ 3.63Å; W364-F381 HydrophobicContact CG-CZ 3.63Å; W364-F381 HydrophobicContact CH2-CB 4.12Å; W364-F381 AromaticContact CH2-CD2 3.67Å; W364-F381 HydrophobicContact CH2-CD2 3.67Å; W364-F381 HydrophobicContact CH2-CE2 4.17Å; W364-F381 AromaticContact CH2-CG 3.88Å; W364-F381 HydrophobicContact CH2-CG 3.88Å; W364-F381 HydrophobicContact CZ2-CB 3.54Å; W364-F381 AromaticContact CZ2-CD1 3.77Å; W364-F381 HydrophobicContact CZ2-CD1 3.77Å; W364-F381 AromaticContact CZ2-CD2 3.64Å; W364-F381 HydrophobicContact CZ2-CD2 3.64Å; W364-F381 HydrophobicContact CZ2-CE1 4.34Å; W364-F381 HydrophobicContact CZ2-CE2 4.22Å; W364-F381 AromaticContact CZ2-CG 3.35Å; W364-F381 HydrophobicContact CZ2-CG 3.35Å; W364-F381 AromaticContact CZ3-CD2 3.87Å; W364-F381 HydrophobicContact CZ3-CD2 3.87Å; W364-F381 AromaticContact CZ3-CE2 3.91Å; W364-F381 HydrophobicContact CZ3-CE2 3.91Å; W364-F381 HydrophobicContact CZ3-CG 4.43Å; W364-F381 HydrophobicContact CZ3-CZ 4.5Å; W364-F381 AromaticContact NE1-CD1 3.31Å; W364-F381 VanDerWaalsContact NE1-CD1 3.31Å; W364-F381 AromaticContact NE1-CE1 3.47Å; W364-F381 AromaticContact NE1-CG 3.9Å; V377-F381 VanDerWaalsContact O-CB 3.27Å; V377-F381 WeakPolarHBondContact O-CB 3.36Å; V377-F381 PolarHBondContact O-N 3.47Å; H378-F381 PolarHBondContact O-N 3.37Å; M379-F381 VanDerWaalsContact C-N 3.33Å; M379-F381 PolarHBondContact O-N 2.81Å; F381-N384 PolarHBondContact O-N 2.97Å; F381-T385 WeakPolarHBondContact O-CB 3.35Å; F381-T385 PolarHBondContact O-N 3.21Å; F381-T385 PolarHBondContact O-OG1 3.07Å; F381-M482 HydrophobicContact CE2-CG 4.31Å; F381-W485 HydrophobicContact CD2-CB 3.72Å; F381-W485 AromaticContact CD2-CG 3.96Å; F381-W485 HydrophobicContact CD2-CG 3.96Å; F381-W485 HydrophobicContact CE2-CB 4.26Å
382	L	97.1	Very high	96.8	Very high	59 Å²	59	52.5 Å²	52.5	31%	0.309	29%	0.288	S	S	.	.	H	α-helix	trans	-67.4	-39.8	178.3	-70	173.5	0	0	0	111.9	F365 W369 H378 M379 T385 L386	F365-L382 HydrophobicContact CZ-CD2 4.2Å; W369-L382 HydrophobicContact CH2-CD1 4.4Å; H378-L382 WeakPolarHBondContact O-CB 3.38Å; H378-L382 VanDerWaalsContact O-CG 3.27Å; H378-L382 WeakPolarHBondContact O-CG 3.32Å; H378-L382 PolarHBondContact O-N 3.05Å; M379-L382 PolarHBondContact O-N 3.5Å; L382-T385 WeakPolarHBondContact O-CB 3.44Å; L382-T385 PolarHBondContact O-N 2.81Å; L382-L386 PolarHBondContact O-N 3.39Å
383	V	98.1	Very high	96.8	Very high	97 Å²	97	52.9 Å²	52.9	59%	0.588	30%	0.296	S	S	*	.	H	α-helix	trans	-61.5	-46.9	173.6	171.8	0	0	0	0	110.7	M379 P380 T385 L386 A387	M379-V383 WeakPolarHBondContact O-CG2 3.26Å; M379-V383 PolarHBondContact O-N 3.07Å; P380-V383 PolarHBondContact O-N 3.1Å; V383-T385 VanDerWaalsContact C-N 3.29Å; V383-T385 PolarHBondContact O-N 3.38Å; V383-L386 PolarHBondContact O-N 3.47Å; V383-A387 PolarHBondContact O-N 3.22Å
384	N	98.4	Very high	97	Very high	12 Å²	12	53 Å²	53	6%	0.064	29%	0.289	C	S	.	.	H	α-helix	trans	-60	-40.4	175	178	77.9	0	0	0	112	P380 F381 A387 L388 F478 C481 M482	P380-N384 VanDerWaalsContact O-CB 3.31Å; P380-N384 WeakPolarHBondContact O-CB 3.09Å; P380-N384 PolarHBondContact O-N 2.87Å; F381-N384 PolarHBondContact O-N 2.97Å; N384-A387 PolarHBondContact O-N 3.13Å; N384-L388 WeakPolarHBondContact O-CB 3.37Å; N384-L388 PolarHBondContact O-N 2.92Å; N384-F478 PolarHBondContact ND2-O 3.46Å; N384-F478 WeakPolarHBondContact OD1-CD1 3.48Å; N384-F478 PolarHBondContact OD1-O 3.05Å; N384-C481 WeakPolarHBondContact OD1-CB 3.26Å; N384-M482 VanDerWaalsContact ND2-CA 3.33Å; N384-M482 WeakPolarHBondContact ND2-CA 3.38Å; N384-M482 WeakPolarHBondContact ND2-CB 3.23Å; N384-M482 PolarHBondContact ND2-N 3.5Å
385	T	97.3	Very high	97.1	Very high	18 Å²	18	47.9 Å²	47.9	11%	0.11	27%	0.266	C	S	.	.	H	α-helix	trans	-62	-47.1	177.4	-64.8	0	0	0	0	111.7	Y361 F381 L382 V383 A387 L388 F389	Y361-T385 HydrophobicContact CE1-CG2 3.57Å; Y361-T385 WeakPolarHBondContact CE1-OG1 3.24Å; Y361-T385 WeakPolarHBondContact OH-CG2 3.19Å; Y361-T385 PolarHBondContact OH-OG1 2.89Å; F381-T385 WeakPolarHBondContact O-CB 3.35Å; F381-T385 PolarHBondContact O-N 3.21Å; F381-T385 PolarHBondContact O-OG1 3.07Å; L382-T385 WeakPolarHBondContact O-CB 3.44Å; L382-T385 PolarHBondContact O-N 2.81Å; V383-T385 VanDerWaalsContact C-N 3.29Å; V383-T385 PolarHBondContact O-N 3.38Å; T385-A387 VanDerWaalsContact C-N 3.34Å; T385-A387 PolarHBondContact O-N 3.02Å; T385-L388 WeakPolarHBondContact O-CB 3.37Å; T385-L388 PolarHBondContact O-N 3.26Å; T385-F389 HydrophobicContact CG2-CD2 3.75Å; T385-F389 HydrophobicContact CG2-CE2 3.73Å; T385-F389 VanDerWaalsContact O-CD2 3.28Å; T385-F389 WeakPolarHBondContact O-CD2 3.42Å; T385-F389 PolarHBondContact O-N 3.41Å
386	L	97.9	Very high	97	Very high	130 Å²	130	49.8 Å²	49.8	68%	0.681	26%	0.257	S	S	*	.	H	α-helix	trans	-60.6	-45.6	176.9	-179.2	63.5	0	0	0	111.1	L382 V383 L388 F389 Y390	L382-L386 PolarHBondContact O-N 3.39Å; V383-L386 PolarHBondContact O-N 3.47Å; L386-L388 VanDerWaalsContact C-N 3.35Å; L386-L388 PolarHBondContact O-N 3.33Å; L386-F389 PolarHBondContact O-N 3.39Å; L386-Y390 WeakPolarHBondContact O-CB 3.16Å; L386-Y390 PolarHBondContact O-N 3.02Å
387	A	98.4	Very high	97	Very high	23 Å²	23	53 Å²	53	19%	0.19	26%	0.263	C	S	.	.	H	α-helix	trans	-63.2	-40	177.5	0	0	0	0	0	112.2	V383 N384 T385 N391 F478	V383-A387 PolarHBondContact O-N 3.22Å; N384-A387 PolarHBondContact O-N 3.13Å; T385-A387 VanDerWaalsContact C-N 3.34Å; T385-A387 PolarHBondContact O-N 3.02Å; A387-N391 PolarHBondContact O-N 3.25Å; A387-N391 PolarHBondContact O-ND2 3.39Å; A387-F478 HydrophobicContact CB-CD1 3.68Å; A387-F478 HydrophobicContact CB-CD2 3.76Å; A387-F478 HydrophobicContact CB-CE1 3.62Å; A387-F478 HydrophobicContact CB-CE2 3.73Å; A387-F478 HydrophobicContact CB-CG 3.75Å; A387-F478 HydrophobicContact CB-CZ 3.65Å
388	L	97.9	Very high	97	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59	-53.5	174.7	172.5	55.9	0	0	0	111.5	N384 T385 L386 Y390 N391 F392 Y475 F478 L479 M482	N384-L388 WeakPolarHBondContact O-CB 3.37Å; N384-L388 PolarHBondContact O-N 2.92Å; T385-L388 WeakPolarHBondContact O-CB 3.37Å; T385-L388 PolarHBondContact O-N 3.26Å; L386-L388 VanDerWaalsContact C-N 3.35Å; L386-L388 PolarHBondContact O-N 3.33Å; L388-Y390 PolarHBondContact O-N 3.43Å; L388-N391 PolarHBondContact O-N 3.22Å; L388-F392 WeakPolarHBondContact O-CB 3.31Å; L388-F392 PolarHBondContact O-N 2.95Å; L388-Y475 HydrophobicContact CD1-CD2 3.59Å; L388-Y475 HydrophobicContact CD1-CE2 3.91Å; L388-F478 HydrophobicContact CB-CB 3.84Å; L388-F478 HydrophobicContact CD1-CB 4.4Å; L388-L479 HydrophobicContact CD1-CB 3.79Å; L388-L479 HydrophobicContact CD2-CD1 4.48Å; L388-M482 HydrophobicContact CD2-CB 3.97Å; L388-M482 HydrophobicContact CD2-CG 4.06Å
389	F	96.4	Very high	97	Very high	94 Å²	94	57.1 Å²	57.1	41%	0.412	29%	0.287	S	S	.	.	H	α-helix	trans	-67.5	-35	-178.2	-79.1	-68.1	0	0	0	113	Y361 T385 L386 G393	Y361-F389 HydrophobicContact CD2-CE2 4.45Å; Y361-F389 HydrophobicContact CD2-CZ 4.33Å; Y361-F389 AromaticContact CE2-CE2 3.59Å; Y361-F389 HydrophobicContact CE2-CE2 3.59Å; Y361-F389 AromaticContact CE2-CZ 3.64Å; Y361-F389 HydrophobicContact CE2-CZ 3.64Å; Y361-F389 AromaticContact CZ-CE2 3.77Å; T385-F389 HydrophobicContact CG2-CD2 3.75Å; T385-F389 HydrophobicContact CG2-CE2 3.73Å; T385-F389 VanDerWaalsContact O-CD2 3.28Å; T385-F389 WeakPolarHBondContact O-CD2 3.42Å; T385-F389 PolarHBondContact O-N 3.41Å; L386-F389 PolarHBondContact O-N 3.39Å; F389-G393 PolarHBondContact O-N 3.48Å
390	Y	97.9	Very high	97	Very high	126 Å²	126	53 Å²	53	49%	0.494	27%	0.267	S	S	.	.	H	α-helix	trans	-58.8	-50.8	172.5	172.5	-100	0	0	0	111.4	L386 L388 G393 K394 Y471	L386-Y390 WeakPolarHBondContact O-CB 3.16Å; L386-Y390 PolarHBondContact O-N 3.02Å; L388-Y390 PolarHBondContact O-N 3.43Å; Y390-G393 PolarHBondContact O-N 2.89Å; Y390-K394 HydrophobicContact CE1-CG 4.25Å; Y390-K394 HydrophobicContact CE2-CG 4.1Å; Y390-K394 WeakPolarHBondContact O-CB 3.43Å; Y390-K394 WeakPolarHBondContact O-CG 3.35Å; Y390-K394 PolarHBondContact O-N 3.09Å; Y390-Y471 HydrophobicContact CE1-CD1 4.38Å; Y390-Y471 HydrophobicContact CE1-CE1 4.16Å
391	N	98.3	Very high	96.9	Very high	17 Å²	17	51 Å²	51	9%	0.091	26%	0.256	C	S	.	.	H	α-helix	trans	-67.2	-42.4	-179.5	-78.6	-76.4	0	0	0	112	A387 L388 G393 K394 S395 F478	A387-N391 PolarHBondContact O-N 3.25Å; A387-N391 PolarHBondContact O-ND2 3.39Å; L388-N391 PolarHBondContact O-N 3.22Å; N391-G393 PolarHBondContact O-N 2.81Å; N391-K394 PolarHBondContact O-N 3.22Å; N391-S395 PolarHBondContact O-N 2.86Å; N391-S395 PolarHBondContact O-OG 2.9Å; N391-S395 VanDerWaalsContact O-OG 3.12Å; N391-F478 WeakPolarHBondContact ND2-CD2 3.1Å; N391-F478 WeakPolarHBondContact ND2-CE2 3.17Å
392	F	96.3	Very high	96.8	Very high	10 Å²	10	52.4 Å²	52.4	4%	0.044	26%	0.263	C	S	.	.	H	α-helix	trans	-56.8	-50	173.6	172.7	-99.3	0	0	0	111.6	L350 Y353 L354 L388 K394 S395 W396 V460 Y475	L350-F392 HydrophobicContact CD1-CE2 4.3Å; L350-F392 HydrophobicContact CD1-CZ 4.04Å; Y353-F392 HydrophobicContact CD1-CE2 4.17Å; Y353-F392 AromaticContact CE1-CD2 3.89Å; Y353-F392 HydrophobicContact CE1-CD2 3.89Å; Y353-F392 AromaticContact CE1-CE2 3.61Å; Y353-F392 HydrophobicContact CE1-CE2 3.61Å; Y353-F392 HydrophobicContact CE1-CZ 4.12Å; L354-F392 HydrophobicContact CD2-CZ 4.39Å; L388-F392 WeakPolarHBondContact O-CB 3.31Å; L388-F392 PolarHBondContact O-N 2.95Å; F392-K394 VanDerWaalsContact C-N 3.3Å; F392-K394 PolarHBondContact O-N 2.95Å; F392-S395 PolarHBondContact O-N 3.37Å; F392-W396 HydrophobicContact CD1-CE3 4.49Å; F392-W396 HydrophobicContact CE1-CD2 4.48Å; F392-W396 AromaticContact CE1-CE3 3.65Å; F392-W396 HydrophobicContact CE1-CE3 3.65Å; F392-W396 HydrophobicContact CE1-CZ3 4.16Å; F392-W396 HydrophobicContact CZ-CE3 4.14Å; F392-W396 WeakPolarHBondContact O-CB 3.43Å; F392-W396 PolarHBondContact O-N 3.2Å; F392-V460 HydrophobicContact CD2-CG1 4.1Å; F392-V460 HydrophobicContact CE2-CB 4.47Å; F392-V460 HydrophobicContact CE2-CG1 4.14Å; F392-Y475 HydrophobicContact CB-CD2 3.83Å; F392-Y475 HydrophobicContact CB-CE2 4.26Å; F392-Y475 HydrophobicContact CD2-CD2 4.15Å; F392-Y475 AromaticContact CD2-CE2 3.86Å; F392-Y475 HydrophobicContact CD2-CE2 3.86Å; F392-Y475 HydrophobicContact CG-CD2 4.5Å
393	G	96.4	Very high	96.7	Very high	24 Å²	24	50.7 Å²	50.7	25%	0.247	25%	0.254	C	S	.	.	H	α-helix	trans	-61	-38.9	179.1	0	0	0	0	0	112.3	F389 Y390 N391 W396 K397	F389-G393 PolarHBondContact O-N 3.48Å; Y390-G393 PolarHBondContact O-N 2.89Å; N391-G393 PolarHBondContact O-N 2.81Å; G393-W396 PolarHBondContact O-N 3.28Å; G393-K397 WeakPolarHBondContact O-CB 3.29Å; G393-K397 PolarHBondContact O-N 3.46Å
394	K	97.7	Very high	96.4	Very high	76 Å²	76	53.5 Å²	53.5	33%	0.33	26%	0.258	S	S	.	.	H	α-helix	trans	-67.9	-42.6	174.6	-75.3	-71.6	-174.1	178.5	0	112.4	Y390 N391 F392 W396 S398 Y471	Y390-K394 HydrophobicContact CE1-CG 4.25Å; Y390-K394 HydrophobicContact CE2-CG 4.1Å; Y390-K394 WeakPolarHBondContact O-CB 3.43Å; Y390-K394 WeakPolarHBondContact O-CG 3.35Å; Y390-K394 PolarHBondContact O-N 3.09Å; N391-K394 PolarHBondContact O-N 3.22Å; F392-K394 VanDerWaalsContact C-N 3.3Å; F392-K394 PolarHBondContact O-N 2.95Å; K394-W396 VanDerWaalsContact C-N 3.31Å; K394-W396 PolarHBondContact O-N 3Å; K394-S398 WeakPolarHBondContact O-CB 3.38Å; K394-S398 PolarHBondContact O-N 3.47Å; K394-S398 PolarHBondContact O-OG 2.78Å; K394-Y471 HydrophobicContact CB-CD1 3.61Å; K394-Y471 HydrophobicContact CB-CD2 3.72Å; K394-Y471 HydrophobicContact CB-CE1 4.13Å; K394-Y471 HydrophobicContact CB-CE2 4.23Å; K394-Y471 HydrophobicContact CB-CG 3.39Å; K394-Y471 HydrophobicContact CD-CE1 4.31Å; K394-Y471 HydrophobicContact CD-CE2 4.28Å; K394-Y471 HydrophobicContact CG-CD1 3.9Å; K394-Y471 HydrophobicContact CG-CD2 4.43Å; K394-Y471 HydrophobicContact CG-CE1 3.96Å; K394-Y471 HydrophobicContact CG-CE2 4.48Å; K394-Y471 HydrophobicContact CG-CG 4.15Å
395	S	96.4	Very high	96	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.9	-40.2	174.2	-62.3	0	0	0	0	112.2	N391 F392 N462 N468 Y471 F472	N391-S395 PolarHBondContact O-N 2.86Å; N391-S395 PolarHBondContact O-OG 2.9Å; N391-S395 VanDerWaalsContact O-OG 3.12Å; F392-S395 PolarHBondContact O-N 3.37Å; S395-N462 PolarHBondContact O-ND2 2.94Å; S395-N468 PolarHBondContact O-ND2 3.02Å; S395-N468 VanDerWaalsContact O-ND2 3.1Å; S395-Y471 PolarHBondContact OG-O 3.26Å; S395-F472 WeakPolarHBondContact OG-CA 3.01Å; S395-F472 PolarHBondContact OG-N 3.09Å
396	W	93.9	Very high	95.7	Very high	118 Å²	118	56 Å²	56	45%	0.447	28%	0.278	S	S	.	.	H	α-helix	trans	-70.7	-49	-179.2	179	19.3	0	0	0	112.6	F392 G393 K394 N462	F392-W396 HydrophobicContact CD1-CE3 4.49Å; F392-W396 HydrophobicContact CE1-CD2 4.48Å; F392-W396 AromaticContact CE1-CE3 3.65Å; F392-W396 HydrophobicContact CE1-CE3 3.65Å; F392-W396 HydrophobicContact CE1-CZ3 4.16Å; F392-W396 HydrophobicContact CZ-CE3 4.14Å; F392-W396 WeakPolarHBondContact O-CB 3.43Å; F392-W396 PolarHBondContact O-N 3.2Å; G393-W396 PolarHBondContact O-N 3.28Å; K394-W396 VanDerWaalsContact C-N 3.31Å; K394-W396 PolarHBondContact O-N 3Å; W396-N462 PolarHBondContact O-ND2 3.25Å
397	K	95	Very high	95.3	Very high	163 Å²	163	54.2 Å²	54.2	71%	0.709	27%	0.267	S	S	*	.	H	α-helix	trans	-100.3	-17.5	-167.6	-64.9	-172.6	176.1	-177.9	0	115.5	G393	G393-K397 WeakPolarHBondContact O-CB 3.29Å; G393-K397 PolarHBondContact O-N 3.46Å
398	S	96	Very high	95	Very high	28 Å²	28	60.7 Å²	60.7	20%	0.196	29%	0.293	C	S	.	.	S	Bend	trans	-73.9	151	-177.7	-50.8	0	0	0	0	111.1	K394 P400 N462	K394-S398 WeakPolarHBondContact O-CB 3.38Å; K394-S398 PolarHBondContact O-N 3.47Å; K394-S398 PolarHBondContact O-OG 2.78Å; S398-P400 VanDerWaalsContact O-CD 3.3Å; S398-P400 WeakPolarHBondContact O-CD 3.39Å; S398-N462 PolarHBondContact O-ND2 3.3Å; S398-N462 VanDerWaalsContact O-ND2 3.13Å
399	D	96.6	Very high	94.7	Very high	65 Å²	65	65.7 Å²	65.7	35%	0.348	32%	0.317	S	S	.	.			trans	-60.8	118.1	169.7	-168.6	-26.5	0	0	0	108.4	G401 I402 K404 G467	D399-G401 PolarHBondContact O-N 3.45Å; D399-G401 PolarHBondContact OD1-N 3.13Å; D399-I402 WeakPolarHBondContact OD1-CB 3.43Å; D399-I402 WeakPolarHBondContact OD1-CG1 3.44Å; D399-I402 PolarHBondContact OD1-N 3.09Å; D399-K404 IonicContact OD2-NZ 2.81Å; D399-K404 PolarHBondContact OD2-NZ 3.44Å; D399-G467 CarbonylContact O-C 3.48Å; D399-G467 WeakPolarHBondContact O-CA 2.98Å
400	P	96.6	Very high	94.5	Very high	4 Å²	4	62.9 Å²	62.9	3%	0.026	30%	0.304	C	S	.	.			trans	-73.5	0.2	-179.3	32.3	-38.2	0	0	0	113.3	S398 I402 I450 C463 G465 S466 G467	S398-P400 VanDerWaalsContact O-CD 3.3Å; S398-P400 WeakPolarHBondContact O-CD 3.39Å; P400-I402 HydrophobicContact CG-CG1 4.11Å; P400-I450 HydrophobicContact CB-CG2 4.11Å; P400-I450 HydrophobicContact CG-CD1 3.95Å; P400-I450 HydrophobicContact CG-CG2 4.31Å; P400-C463 HydrophobicContact CB-CB 3.99Å; P400-C463 WeakPolarHBondContact CB-O 3.39Å; P400-C463 HydrophobicContact CG-CB 3.98Å; P400-G465 CarbonylContact O-C 3.33Å; P400-G465 VanDerWaalsContact O-CA 3.26Å; P400-G465 WeakPolarHBondContact O-CA 3.31Å; P400-S466 PolarHBondContact O-N 2.8Å; P400-S466 VanDerWaalsContact O-N 3.1Å; P400-G467 PolarHBondContact O-N 3.43Å; P400-G467 VanDerWaalsContact O-N 3.07Å
401	G	95.8	Very high	94.2	Very high	8 Å²	8	60.9 Å²	60.9	8%	0.082	30%	0.298	C	S	.	.			trans	107.8	42.5	-172.9	0	0	0	0	0	111.6	D399 I403 A451	D399-G401 PolarHBondContact O-N 3.45Å; D399-G401 PolarHBondContact OD1-N 3.13Å; G401-I403 PolarHBondContact O-N 3.33Å; G401-A451 WeakPolarHBondContact O-CB 3.29Å; G401-A451 PolarHBondContact O-N 3.33Å
402	I	95.6	Very high	94	Very high	29 Å²	29	67.2 Å²	67.2	15%	0.149	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-63.9	123.4	178.5	-65.3	160.1	0	0	0	109.1	D399 P400 K404 R448 I450	D399-I402 WeakPolarHBondContact OD1-CB 3.43Å; D399-I402 WeakPolarHBondContact OD1-CG1 3.44Å; D399-I402 PolarHBondContact OD1-N 3.09Å; P400-I402 HydrophobicContact CG-CG1 4.11Å; I402-K404 HydrophobicContact CG2-CG 4.15Å; I402-K404 PolarHBondContact O-N 3.15Å; I402-R448 HydrophobicContact CG2-CB 4.47Å; I402-I450 HydrophobicContact CG1-CD1 3.74Å
403	I	94.5	Very high	93.7	Very high	23 Å²	23	67.9 Å²	67.9	12%	0.118	33%	0.33	C	S	.	.			trans	-80.1	119	175.5	-57	151.9	0	0	0	108.1	G401 I434 P437 C449 A451	G401-I403 PolarHBondContact O-N 3.33Å; I403-I434 HydrophobicContact CB-CD1 3.71Å; I403-I434 HydrophobicContact CD1-CD1 4.21Å; I403-I434 HydrophobicContact CG2-CD1 3.41Å; I403-I434 VanDerWaalsContact CG2-CD1 3.41Å; I403-P437 HydrophobicContact CD1-CB 4.48Å; I403-P437 VanDerWaalsContact CD1-CD 3.47Å; I403-P437 HydrophobicContact CD1-CG 3.64Å; I403-P437 HydrophobicContact CG1-CG 4.12Å; I403-P437 HydrophobicContact CG2-CG 4.27Å; I403-C449 HydrophobicContact CB-CB 4.38Å; I403-C449 HydrophobicContact CD1-CB 3.95Å; I403-C449 PolarHBondContact N-O 3.24Å; I403-A451 HydrophobicContact CD1-CB 4.44Å; I403-A451 HydrophobicContact CG1-CB 4.2Å
404	K	91	Very high	93.5	Very high	155 Å²	155	66.7 Å²	66.7	67%	0.674	32%	0.318	S	S	*	.			trans	-108	142	-176.9	-63.1	171.1	-169.4	160.5	0	109.1	D399 I402	D399-K404 IonicContact OD2-NZ 2.81Å; D399-K404 PolarHBondContact OD2-NZ 3.44Å; I402-K404 HydrophobicContact CG2-CG 4.15Å; I402-K404 PolarHBondContact O-N 3.15Å
405	A	90	Very high	93.4	Very high	28 Å²	28	64.4 Å²	64.4	23%	0.231	31%	0.31	C	S	.	.			trans	-145.9	140.5	173.6	0	0	0	0	0	109.5	Q409 K410 I434	A405-Q409 HydrophobicContact CB-CB 4.27Å; A405-K410 HydrophobicContact CB-CG 3.99Å; A405-I434 HydrophobicContact CB-CG2 3.47Å; A405-I434 VanDerWaalsContact CB-CG2 3.47Å
406	S	91.7	Very high	93.2	Very high	54 Å²	54	69 Å²	69	38%	0.378	33%	0.332	S	S	.	.			trans	-71.3	161.3	170.5	71.4	0	0	0	0	111	E408 Q409 K410	S406-E408 PolarHBondContact O-N 2.85Å; S406-Q409 PolarHBondContact O-N 3.15Å; S406-Q409 VanDerWaalsContact O-N 3.15Å; S406-Q409 VanDerWaalsContact OG-CG 3.32Å; S406-Q409 WeakPolarHBondContact OG-CG 3.13Å; S406-Q409 PolarHBondContact OG-N 3.42Å; S406-Q409 PolarHBondContact OG-OE1 2.99Å; S406-K410 VanDerWaalsContact O-CG 3.31Å; S406-K410 WeakPolarHBondContact O-CG 3.3Å; S406-K410 PolarHBondContact O-N 3Å
407	E	89.3	Confident	93.1	Very high	94 Å²	94	63.6 Å²	63.6	44%	0.439	31%	0.311	S	S	.	.	H	α-helix	trans	-57.5	-37.5	175.4	-67.4	-51.6	127.4	0	0	112.7	K410 K411	E407-K410 PolarHBondContact O-N 3.32Å; E407-K410 IonicContact OE1-NZ 3.41Å; E407-K410 PolarHBondContact OE1-NZ 3.11Å; E407-K411 WeakPolarHBondContact O-CG 3.3Å; E407-K411 PolarHBondContact O-N 2.84Å
408	E	91.1	Very high	92.9	Very high	158 Å²	158	56 Å²	56	74%	0.738	28%	0.279	S	S	*	.	H	α-helix	trans	-64.5	-44.8	175.2	-171.5	-178.5	-179.6	0	0	111.9	S406 K410 K411 K412	S406-E408 PolarHBondContact O-N 2.85Å; E408-K410 VanDerWaalsContact C-N 3.34Å; E408-K410 PolarHBondContact O-N 3.18Å; E408-K411 PolarHBondContact O-N 3.25Å; E408-K412 WeakPolarHBondContact O-CB 3.38Å; E408-K412 PolarHBondContact O-N 2.92Å
409	Q	91.8	Very high	92.8	Very high	106 Å²	106	57.7 Å²	57.7	50%	0.495	28%	0.284	S	S	.	.	H	α-helix	trans	-63.6	-39.2	176.6	-73.8	171.4	-28.6	0	0	112	A405 S406 K412 T413	A405-Q409 HydrophobicContact CB-CB 4.27Å; S406-Q409 PolarHBondContact O-N 3.15Å; S406-Q409 VanDerWaalsContact O-N 3.15Å; S406-Q409 VanDerWaalsContact OG-CG 3.32Å; S406-Q409 WeakPolarHBondContact OG-CG 3.13Å; S406-Q409 PolarHBondContact OG-N 3.42Å; S406-Q409 PolarHBondContact OG-OE1 2.99Å; Q409-K412 PolarHBondContact O-N 3.5Å; Q409-T413 WeakPolarHBondContact O-CB 3.48Å; Q409-T413 PolarHBondContact O-N 2.97Å; Q409-T413 PolarHBondContact O-OG1 3.15Å
410	K	92.2	Very high	92.5	Very high	35 Å²	35	58.8 Å²	58.8	15%	0.152	29%	0.293	C	S	.	.	H	α-helix	trans	-60.3	-51.5	175.5	-70.2	169.9	178.4	-179.8	0	110.9	A405 S406 E407 E408 T413 I414 C432 L433	A405-K410 HydrophobicContact CB-CG 3.99Å; S406-K410 VanDerWaalsContact O-CG 3.31Å; S406-K410 WeakPolarHBondContact O-CG 3.3Å; S406-K410 PolarHBondContact O-N 3Å; E407-K410 PolarHBondContact O-N 3.32Å; E407-K410 IonicContact OE1-NZ 3.41Å; E407-K410 PolarHBondContact OE1-NZ 3.11Å; E408-K410 VanDerWaalsContact C-N 3.34Å; E408-K410 PolarHBondContact O-N 3.18Å; K410-T413 PolarHBondContact O-N 3.37Å; K410-I414 WeakPolarHBondContact O-CG1 3.17Å; K410-I414 PolarHBondContact O-N 3.26Å; K410-C432 WeakPolarHBondContact CE-O 3.5Å; K410-L433 WeakPolarHBondContact CA-O 3.48Å; K410-L433 HydrophobicContact CB-CB 3.82Å; K410-L433 WeakPolarHBondContact CB-O 3.35Å; K410-L433 HydrophobicContact CD-CB 3.96Å; K410-L433 HydrophobicContact CD-CD1 4.41Å; K410-L433 HydrophobicContact CG-CB 3.84Å; K410-L433 WeakPolarHBondContact CG-O 3.18Å
411	K	92.1	Very high	92	Very high	83 Å²	83	62 Å²	62	36%	0.361	33%	0.326	S	S	.	.	H	α-helix	trans	-60.1	-47.9	177.1	-70.1	-177.2	-178.3	-171	0	111.6	A168 E407 E408 T413 I414 V415	A168-K411 HydrophobicContact CB-CB 4.1Å; A168-K411 HydrophobicContact CB-CG 4.33Å; E407-K411 WeakPolarHBondContact O-CG 3.3Å; E407-K411 PolarHBondContact O-N 2.84Å; E408-K411 PolarHBondContact O-N 3.25Å; K411-T413 VanDerWaalsContact C-N 3.3Å; K411-T413 PolarHBondContact O-N 3.5Å; K411-I414 PolarHBondContact O-N 3.31Å; K411-I414 VanDerWaalsContact O-N 3.16Å; K411-V415 WeakPolarHBondContact O-CG2 3.32Å; K411-V415 PolarHBondContact O-N 3.17Å
412	K	93.4	Very high	91.4	Very high	150 Å²	150	63.8 Å²	63.8	65%	0.652	34%	0.338	S	S	*	.	H	α-helix	trans	-56.7	-44.2	176.9	-175.5	178.2	178.2	179.7	0	111.9	E408 Q409 I414 V415 E416	E408-K412 WeakPolarHBondContact O-CB 3.38Å; E408-K412 PolarHBondContact O-N 2.92Å; Q409-K412 PolarHBondContact O-N 3.5Å; K412-I414 PolarHBondContact O-N 2.97Å; K412-V415 PolarHBondContact O-N 3.36Å; K412-E416 WeakPolarHBondContact O-CB 3.37Å; K412-E416 PolarHBondContact O-N 2.99Å
413	T	91.1	Very high	90.8	Very high	24 Å²	24	63.7 Å²	63.7	15%	0.147	34%	0.337	C	S	.	.	H	α-helix	trans	-61.7	-42.8	178.3	-58.6	0	0	0	0	111.7	Q409 K410 K411 L417 R435	Q409-T413 WeakPolarHBondContact O-CB 3.48Å; Q409-T413 PolarHBondContact O-N 2.97Å; Q409-T413 PolarHBondContact O-OG1 3.15Å; K410-T413 PolarHBondContact O-N 3.37Å; K411-T413 VanDerWaalsContact C-N 3.3Å; K411-T413 PolarHBondContact O-N 3.5Å; T413-L417 HydrophobicContact CG2-CD1 3.93Å; T413-L417 HydrophobicContact CG2-CG 4.32Å; T413-L417 VanDerWaalsContact O-CB 3.3Å; T413-L417 WeakPolarHBondContact O-CB 3.47Å; T413-L417 VanDerWaalsContact O-CG 3.27Å; T413-L417 WeakPolarHBondContact O-CG 3.35Å; T413-L417 PolarHBondContact O-N 3.48Å; T413-R435 HydrophobicContact CG2-CB 3.68Å
414	I	92.8	Very high	89.9	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-62.1	-47.4	177.3	-66.8	163.4	0	0	0	110.5	A164 A168 F203 K410 K411 K412 L417 A418 L423 F428 L433	A164-I414 HydrophobicContact CB-CD1 4.41Å; A164-I414 HydrophobicContact CB-CG2 3.93Å; A168-I414 HydrophobicContact CB-CB 3.94Å; A168-I414 HydrophobicContact CB-CD1 4.42Å; A168-I414 HydrophobicContact CB-CG2 3.85Å; F203-I414 HydrophobicContact CZ-CD1 3.79Å; K410-I414 WeakPolarHBondContact O-CG1 3.17Å; K410-I414 PolarHBondContact O-N 3.26Å; K411-I414 PolarHBondContact O-N 3.31Å; K411-I414 VanDerWaalsContact O-N 3.16Å; K412-I414 PolarHBondContact O-N 2.97Å; I414-L417 PolarHBondContact O-N 3.48Å; I414-A418 VanDerWaalsContact O-CB 3.28Å; I414-A418 WeakPolarHBondContact O-CB 3.4Å; I414-A418 PolarHBondContact O-N 3.41Å; I414-L423 HydrophobicContact CG2-CD2 4.28Å; I414-F428 HydrophobicContact CD1-CZ 4.08Å; I414-F428 HydrophobicContact CG1-CE2 3.8Å; I414-F428 HydrophobicContact CG1-CZ 3.56Å; I414-L433 HydrophobicContact CD1-CB 4.42Å; I414-L433 HydrophobicContact CD1-CD2 4.38Å
415	V	94.3	Very high	88.9	Confident	28 Å²	28	64.4 Å²	64.4	17%	0.17	35%	0.348	C	S	.	.	H	α-helix	trans	-60.9	-50.3	178.9	173.7	0	0	0	0	110.6	Y165 A168 K169 K411 K412 L417 A418 E419	Y165-V415 HydrophobicContact CE2-CB 4.48Å; Y165-V415 HydrophobicContact CE2-CG1 4.27Å; Y165-V415 HydrophobicContact CE2-CG2 4.39Å; A168-V415 HydrophobicContact CB-CG2 3.76Å; K169-V415 HydrophobicContact CD-CG1 4.06Å; K169-V415 HydrophobicContact CD-CG2 3.75Å; K169-V415 HydrophobicContact CG-CG2 4.26Å; K411-V415 WeakPolarHBondContact O-CG2 3.32Å; K411-V415 PolarHBondContact O-N 3.17Å; K412-V415 PolarHBondContact O-N 3.36Å; V415-L417 PolarHBondContact O-N 2.88Å; V415-A418 PolarHBondContact O-N 3.48Å; V415-E419 HydrophobicContact CG1-CG 4.23Å; V415-E419 WeakPolarHBondContact CG1-OE1 3.32Å; V415-E419 WeakPolarHBondContact O-CB 3.31Å; V415-E419 VanDerWaalsContact O-CG 3.27Å; V415-E419 WeakPolarHBondContact O-CG 3.45Å; V415-E419 PolarHBondContact O-N 2.65Å
416	E	92.8	Very high	88.1	Confident	97 Å²	97	66.7 Å²	66.7	45%	0.453	36%	0.363	S	S	.	.	H	α-helix	trans	-58.8	-46.2	180	-174.8	-175	155	0	0	112	K412 E419 T420	K412-E416 WeakPolarHBondContact O-CB 3.37Å; K412-E416 PolarHBondContact O-N 2.99Å; E416-E419 PolarHBondContact O-N 2.86Å; E416-T420 WeakPolarHBondContact O-CB 3.38Å; E416-T420 WeakPolarHBondContact O-CG2 3.43Å; E416-T420 PolarHBondContact O-N 3.22Å; E416-T420 PolarHBondContact O-OG1 3.46Å
417	L	91.1	Very high	87.6	Confident	4 Å²	4	66.9 Å²	66.9	2%	0.021	36%	0.359	C	S	.	.	H	α-helix	trans	-67.3	-40.5	178.9	-74.5	-179.6	0	0	0	112.4	T413 I414 V415 T420 G421 S422 L423 I427 F428 R435	T413-L417 HydrophobicContact CG2-CD1 3.93Å; T413-L417 HydrophobicContact CG2-CG 4.32Å; T413-L417 VanDerWaalsContact O-CB 3.3Å; T413-L417 WeakPolarHBondContact O-CB 3.47Å; T413-L417 VanDerWaalsContact O-CG 3.27Å; T413-L417 WeakPolarHBondContact O-CG 3.35Å; T413-L417 PolarHBondContact O-N 3.48Å; I414-L417 PolarHBondContact O-N 3.48Å; V415-L417 PolarHBondContact O-N 2.88Å; L417-T420 PolarHBondContact O-OG1 3.12Å; L417-G421 PolarHBondContact O-N 3.29Å; L417-S422 CarbonylContact O-C 3.53Å; L417-S422 WeakPolarHBondContact O-CA 3Å; L417-S422 PolarHBondContact O-N 2.88Å; L417-L423 HydrophobicContact CB-CB 3.96Å; L417-L423 HydrophobicContact CB-CD1 3.76Å; L417-L423 HydrophobicContact CB-CG 4.47Å; L417-L423 HydrophobicContact CD1-CD1 3.98Å; L417-L423 PolarHBondContact O-N 3.12Å; L417-I427 HydrophobicContact CD2-CD1 4.07Å; L417-F428 HydrophobicContact CD1-CB 4.07Å; L417-F428 HydrophobicContact CD1-CD2 3.82Å; L417-F428 HydrophobicContact CD1-CG 4.29Å; L417-R435 HydrophobicContact CD1-CB 4.22Å
418	A	92.3	Very high	87.5	Confident	4 Å²	4	62.8 Å²	62.8	3%	0.033	34%	0.34	C	S	.	.	H	α-helix	trans	-65	-44.2	177.1	0	0	0	0	0	110.8	L127 V131 Y165 I414 V415 T420 G421 L423	L127-A418 HydrophobicContact CD1-CB 4.29Å; L127-A418 HydrophobicContact CD2-CB 4.21Å; V131-A418 HydrophobicContact CG2-CB 4.12Å; Y165-A418 HydrophobicContact CD2-CB 3.3Å; Y165-A418 HydrophobicContact CE2-CB 3.76Å; Y165-A418 HydrophobicContact CG-CB 4.02Å; I414-A418 VanDerWaalsContact O-CB 3.28Å; I414-A418 WeakPolarHBondContact O-CB 3.4Å; I414-A418 PolarHBondContact O-N 3.41Å; V415-A418 PolarHBondContact O-N 3.48Å; A418-T420 VanDerWaalsContact C-N 3.33Å; A418-T420 PolarHBondContact O-N 3.33Å; A418-G421 PolarHBondContact O-N 2.98Å; A418-G421 VanDerWaalsContact O-N 3.11Å; A418-L423 HydrophobicContact CB-CB 4.41Å; A418-L423 HydrophobicContact CB-CD2 4.13Å
419	E	93.5	Very high	87.4	Confident	63 Å²	63	55.5 Å²	55.5	29%	0.294	31%	0.306	S	S	.	.	H	α-helix	trans	-74.1	-22.1	-175.5	-67.3	-171.6	-173.5	0	0	113.9	V131 Y165 K169 V415 E416	V131-E419 HydrophobicContact CG1-CB 4.34Å; V131-E419 HydrophobicContact CG1-CG 3.87Å; V131-E419 HydrophobicContact CG2-CG 4.44Å; Y165-E419 HydrophobicContact CE2-CG 3.95Å; Y165-E419 PolarHBondContact OH-OE1 2.99Å; K169-E419 IonicContact NZ-OE1 3.26Å; K169-E419 PolarHBondContact NZ-OE1 2.88Å; V415-E419 HydrophobicContact CG1-CG 4.23Å; V415-E419 WeakPolarHBondContact CG1-OE1 3.32Å; V415-E419 WeakPolarHBondContact O-CB 3.31Å; V415-E419 VanDerWaalsContact O-CG 3.27Å; V415-E419 WeakPolarHBondContact O-CG 3.45Å; V415-E419 PolarHBondContact O-N 2.65Å; E416-E419 PolarHBondContact O-N 2.86Å
420	T	90.2	Very high	87.1	Confident	88 Å²	88	51.4 Å²	51.4	54%	0.54	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	4.1	170.4	57.9	0	0	0	0	113.5	E416 L417 A418 S422	E416-T420 WeakPolarHBondContact O-CB 3.38Å; E416-T420 WeakPolarHBondContact O-CG2 3.43Å; E416-T420 PolarHBondContact O-N 3.22Å; E416-T420 PolarHBondContact O-OG1 3.46Å; L417-T420 PolarHBondContact O-OG1 3.12Å; A418-T420 VanDerWaalsContact C-N 3.33Å; A418-T420 PolarHBondContact O-N 3.33Å; T420-S422 PolarHBondContact O-N 3.09Å; T420-S422 PolarHBondContact O-OG 3.14Å
421	G	85.8	Confident	87	Confident	70 Å²	70	51.2 Å²	51.2	72%	0.722	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.8	18.2	-177.7	0	0	0	0	0	114	L417 A418	L417-G421 PolarHBondContact O-N 3.29Å; A418-G421 PolarHBondContact O-N 2.98Å; A418-G421 VanDerWaalsContact O-N 3.11Å
422	S	82.7	Confident	86.9	Confident	47 Å²	47	48.2 Å²	48.2	33%	0.329	28%	0.28	S	S	.	.			trans	-108.5	10.7	-174.4	-61.8	0	0	0	0	113.2	L417 T420 D424 I427	L417-S422 CarbonylContact O-C 3.53Å; L417-S422 WeakPolarHBondContact O-CA 3Å; L417-S422 PolarHBondContact O-N 2.88Å; T420-S422 PolarHBondContact O-N 3.09Å; T420-S422 PolarHBondContact O-OG 3.14Å; S422-D424 PolarHBondContact O-N 3.25Å; S422-I427 WeakPolarHBondContact O-CD1 3.46Å; S422-I427 WeakPolarHBondContact O-CG1 3.48Å
423	L	82.3	Confident	86.8	Confident	26 Å²	26	41.1 Å²	41.1	14%	0.136	25%	0.249	C	C	.	.			trans	-75.6	68.2	175.4	-168.1	66.4	0	0	0	111	L127 I414 L417 A418 F428	L127-L423 HydrophobicContact CD2-CB 4.04Å; L127-L423 HydrophobicContact CD2-CD2 3.97Å; I414-L423 HydrophobicContact CG2-CD2 4.28Å; L417-L423 HydrophobicContact CB-CB 3.96Å; L417-L423 HydrophobicContact CB-CD1 3.76Å; L417-L423 HydrophobicContact CB-CG 4.47Å; L417-L423 HydrophobicContact CD1-CD1 3.98Å; L417-L423 PolarHBondContact O-N 3.12Å; A418-L423 HydrophobicContact CB-CB 4.41Å; A418-L423 HydrophobicContact CB-CD2 4.13Å; L423-F428 HydrophobicContact CD1-CB 4.21Å; L423-F428 HydrophobicContact CD1-CD1 3.97Å; L423-F428 HydrophobicContact CD1-CD2 4.18Å; L423-F428 HydrophobicContact CD1-CE1 4.33Å; L423-F428 HydrophobicContact CD1-CG 3.87Å
424	D	75.6	Confident	86.8	Confident	88 Å²	88	40.4 Å²	40.4	47%	0.471	25%	0.245	S	C	.	.			trans	-104.5	139.8	173.2	176.2	18.8	0	0	0	110.1	S422 S426 I427 F428	S422-D424 PolarHBondContact O-N 3.25Å; D424-S426 PolarHBondContact O-N 3.4Å; D424-S426 VanDerWaalsContact O-N 3.1Å; D424-S426 PolarHBondContact OD1-N 2.89Å; D424-S426 WeakPolarHBondContact OD2-CB 3.27Å; D424-S426 PolarHBondContact OD2-OG 3.47Å; D424-I427 HydrophobicContact CB-CG1 4.44Å; D424-I427 WeakPolarHBondContact O-CG1 3.36Å; D424-I427 PolarHBondContact O-N 3.16Å; D424-I427 VanDerWaalsContact O-N 3.08Å; D424-F428 WeakPolarHBondContact O-CB 3.34Å; D424-F428 PolarHBondContact O-N 3.05Å
425	L	70.1	Confident	86.6	Confident	106 Å²	106	44.2 Å²	44.2	56%	0.555	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-15.7	176.6	-63.6	176.8	0	0	0	112.9	K436	L425-K436 PolarHBondContact O-NZ 3.05Å
426	S	73.9	Confident	86.3	Confident	76 Å²	76	46 Å²	46	53%	0.531	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-38.7	172	74.7	0	0	0	0	112.6	D424	D424-S426 PolarHBondContact O-N 3.4Å; D424-S426 VanDerWaalsContact O-N 3.1Å; D424-S426 PolarHBondContact OD1-N 2.89Å; D424-S426 WeakPolarHBondContact OD2-CB 3.27Å; D424-S426 PolarHBondContact OD2-OG 3.47Å
427	I	80.9	Confident	86.2	Confident	58 Å²	58	41.7 Å²	41.7	30%	0.297	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-12.5	-176.7	59.4	166.5	0	0	0	113.5	L417 S422 D424 R435 K436	L417-I427 HydrophobicContact CD2-CD1 4.07Å; S422-I427 WeakPolarHBondContact O-CD1 3.46Å; S422-I427 WeakPolarHBondContact O-CG1 3.48Å; D424-I427 HydrophobicContact CB-CG1 4.44Å; D424-I427 WeakPolarHBondContact O-CG1 3.36Å; D424-I427 PolarHBondContact O-N 3.16Å; D424-I427 VanDerWaalsContact O-N 3.08Å; I427-R435 CarbonylContact O-C 3.56Å; I427-R435 WeakPolarHBondContact O-CA 3.43Å; I427-K436 WeakPolarHBondContact O-CB 3.42Å; I427-K436 PolarHBondContact O-N 3.31Å
428	F	87.7	Confident	86	Confident	8 Å²	8	42.7 Å²	42.7	4%	0.035	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	140.7	175.4	-177.8	-110.8	0	0	0	111.2	I414 L417 L423 D424 L433 I434 K436	I414-F428 HydrophobicContact CD1-CZ 4.08Å; I414-F428 HydrophobicContact CG1-CE2 3.8Å; I414-F428 HydrophobicContact CG1-CZ 3.56Å; L417-F428 HydrophobicContact CD1-CB 4.07Å; L417-F428 HydrophobicContact CD1-CD2 3.82Å; L417-F428 HydrophobicContact CD1-CG 4.29Å; L423-F428 HydrophobicContact CD1-CB 4.21Å; L423-F428 HydrophobicContact CD1-CD1 3.97Å; L423-F428 HydrophobicContact CD1-CD2 4.18Å; L423-F428 HydrophobicContact CD1-CE1 4.33Å; L423-F428 HydrophobicContact CD1-CG 3.87Å; D424-F428 WeakPolarHBondContact O-CB 3.34Å; D424-F428 PolarHBondContact O-N 3.05Å; F428-L433 HydrophobicContact CE1-CD2 4.28Å; F428-L433 VanDerWaalsContact CE2-C 3.44Å; F428-L433 HydrophobicContact CZ-CB 4.16Å; F428-L433 HydrophobicContact CZ-CD2 3.87Å; F428-I434 WeakPolarHBondContact CD2-O 3.27Å; F428-K436 WeakPolarHBondContact O-CE 3.24Å; F428-K436 PolarHBondContact O-NZ 3.34Å
429	C	89.9	Confident	86	Confident	5 Å²	5	43 Å²	43	3%	0.034	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	106.3	168.4	-179.1	0	0	0	0	109	T431 C432 L433 I434 K436 C449	C429-T431 PolarHBondContact O-N 3.07Å; C429-C432 HydrophobicContact CB-CB 4.42Å; C429-C432 PolarHBondContact O-N 2.92Å; C429-C432 PolarHBondContact SG-N 2.93Å; C429-C432 VanDerWaalsContact SG-N 3.41Å; C429-L433 VanDerWaalsContact O-CA 3.25Å; C429-L433 WeakPolarHBondContact O-CA 3.39Å; C429-L433 PolarHBondContact O-N 2.75Å; C429-I434 HydrophobicContact CB-CG1 4.24Å; C429-I434 PolarHBondContact N-O 2.88Å; C429-I434 PolarHBondContact O-N 3.37Å; C429-K436 HydrophobicContact CB-CG 4.03Å; C429-C449 PolarHBondContact SG-SG 2.96Å
430	S	85.2	Confident	86	Confident	19 Å²	19	40.4 Å²	40.4	13%	0.133	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-6.8	178	51	0	0	0	0	114.4	R198 L433	R198-S430 VanDerWaalsContact NH1-C 3.33Å; R198-S430 PolarHBondContact NH1-O 3.37Å; R198-S430 PolarHBondContact NH2-O 3.39Å; R198-S430 PolarHBondContact NH2-OG 3.35Å; S430-L433 WeakPolarHBondContact O-CD2 3.5Å
431	T	88.9	Confident	86.2	Confident	31 Å²	31	39.8 Å²	39.8	19%	0.19	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-43	173.1	-44.2	0	0	0	0	112.4	R198 T202 C429 N447	R198-T431 PolarHBondContact NH1-OG1 3.48Å; T202-T431 VanDerWaalsContact CG2-O 3.32Å; T202-T431 WeakPolarHBondContact CG2-O 3.32Å; C429-T431 PolarHBondContact O-N 3.07Å; T431-N447 VanDerWaalsContact CG2-OD1 3.31Å; T431-N447 WeakPolarHBondContact CG2-OD1 3.15Å
432	C	90.9	Very high	86.6	Confident	21 Å²	21	38.3 Å²	38.3	14%	0.142	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-8.8	179.8	-63.3	0	0	0	0	112.8	K410 C429 I434 H442 C449	K410-C432 WeakPolarHBondContact CE-O 3.5Å; C429-C432 HydrophobicContact CB-CB 4.42Å; C429-C432 PolarHBondContact O-N 2.92Å; C429-C432 PolarHBondContact SG-N 2.93Å; C429-C432 VanDerWaalsContact SG-N 3.41Å; C432-I434 VanDerWaalsContact C-N 3.26Å; C432-I434 HydrophobicContact CB-CD1 4.24Å; C432-I434 HydrophobicContact CB-CG1 3.88Å; C432-I434 PolarHBondContact O-N 2.73Å; C432-H442 PolarHBondContact SG-ND1 3.45Å; C432-H442 VanDerWaalsContact SG-ND1 3.37Å; C432-C449 HydrophobicContact CB-CB 4.43Å; C432-C449 PolarHBondContact SG-N 2.94Å; C432-C449 VanDerWaalsContact SG-SG 3.6Å
433	L	91.3	Very high	87.1	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	37.5	-175.8	-51.7	-179.7	0	0	0	113.8	L199 T202 F203 K410 I414 F428 C429 S430	L199-L433 HydrophobicContact CD1-CD2 3.45Å; L199-L433 VanDerWaalsContact CD1-CD2 3.45Å; T202-L433 HydrophobicContact CG2-CD1 3.77Å; T202-L433 HydrophobicContact CG2-CD2 4.39Å; T202-L433 HydrophobicContact CG2-CG 3.85Å; F203-L433 HydrophobicContact CD1-CD1 4.09Å; F203-L433 HydrophobicContact CD2-CD1 4.49Å; F203-L433 HydrophobicContact CE1-CD1 3.6Å; F203-L433 HydrophobicContact CE2-CD1 4.06Å; F203-L433 HydrophobicContact CZ-CD1 3.6Å; K410-L433 WeakPolarHBondContact CA-O 3.48Å; K410-L433 HydrophobicContact CB-CB 3.82Å; K410-L433 WeakPolarHBondContact CB-O 3.35Å; K410-L433 HydrophobicContact CD-CB 3.96Å; K410-L433 HydrophobicContact CD-CD1 4.41Å; K410-L433 HydrophobicContact CG-CB 3.84Å; K410-L433 WeakPolarHBondContact CG-O 3.18Å; I414-L433 HydrophobicContact CD1-CB 4.42Å; I414-L433 HydrophobicContact CD1-CD2 4.38Å; F428-L433 HydrophobicContact CE1-CD2 4.28Å; F428-L433 VanDerWaalsContact CE2-C 3.44Å; F428-L433 HydrophobicContact CZ-CB 4.16Å; F428-L433 HydrophobicContact CZ-CD2 3.87Å; C429-L433 VanDerWaalsContact O-CA 3.25Å; C429-L433 WeakPolarHBondContact O-CA 3.39Å; C429-L433 PolarHBondContact O-N 2.75Å; S430-L433 WeakPolarHBondContact O-CD2 3.5Å
434	I	90.4	Very high	87.5	Confident	10 Å²	10	39.2 Å²	39.2	5%	0.051	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	150.6	178.8	61.4	169.9	0	0	0	110.5	I403 A405 F428 C429 C432 K436 C449	I403-I434 HydrophobicContact CB-CD1 3.71Å; I403-I434 HydrophobicContact CD1-CD1 4.21Å; I403-I434 HydrophobicContact CG2-CD1 3.41Å; I403-I434 VanDerWaalsContact CG2-CD1 3.41Å; A405-I434 HydrophobicContact CB-CG2 3.47Å; A405-I434 VanDerWaalsContact CB-CG2 3.47Å; F428-I434 WeakPolarHBondContact CD2-O 3.27Å; C429-I434 HydrophobicContact CB-CG1 4.24Å; C429-I434 PolarHBondContact N-O 2.88Å; C429-I434 PolarHBondContact O-N 3.37Å; C432-I434 VanDerWaalsContact C-N 3.26Å; C432-I434 HydrophobicContact CB-CD1 4.24Å; C432-I434 HydrophobicContact CB-CG1 3.88Å; C432-I434 PolarHBondContact O-N 2.73Å; I434-K436 PolarHBondContact O-N 3.4Å; I434-C449 HydrophobicContact CD1-CB 3.63Å
435	R	88.6	Confident	88.1	Confident	80 Å²	80	39.6 Å²	39.6	30%	0.302	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	125.6	160.6	179.7	168.5	-179.4	-165.5	12	107.8	T413 L417 I427 P437	T413-R435 HydrophobicContact CG2-CB 3.68Å; L417-R435 HydrophobicContact CD1-CB 4.22Å; I427-R435 CarbonylContact O-C 3.56Å; I427-R435 WeakPolarHBondContact O-CA 3.43Å; R435-P437 WeakPolarHBondContact O-CD 3.22Å
436	K	87.9	Confident	89	Confident	65 Å²	65	36.5 Å²	36.5	28%	0.283	21%	0.209	S	C	.	.			trans	-66.6	114.9	-178.7	-69.3	167.4	178.1	160.7	0	108.5	L425 I427 F428 C429 I434	L425-K436 PolarHBondContact O-NZ 3.05Å; I427-K436 WeakPolarHBondContact O-CB 3.42Å; I427-K436 PolarHBondContact O-N 3.31Å; F428-K436 WeakPolarHBondContact O-CE 3.24Å; F428-K436 PolarHBondContact O-NZ 3.34Å; C429-K436 HydrophobicContact CB-CG 4.03Å; I434-K436 PolarHBondContact O-N 3.4Å
437	P	90.2	Very high	89.8	Confident	6 Å²	6	37.6 Å²	37.6	4%	0.039	21%	0.209	C	C	.	.			trans	-55.7	157.7	165.7	-25.3	37.2	0	0	0	110.7	I403 R435 R439 S440 T604	I403-P437 HydrophobicContact CD1-CB 4.48Å; I403-P437 VanDerWaalsContact CD1-CD 3.47Å; I403-P437 HydrophobicContact CD1-CG 3.64Å; I403-P437 HydrophobicContact CG1-CG 4.12Å; I403-P437 HydrophobicContact CG2-CG 4.27Å; R435-P437 WeakPolarHBondContact O-CD 3.22Å; P437-R439 PolarHBondContact O-N 3.14Å; P437-S440 WeakPolarHBondContact CD-OG 3.48Å; P437-S440 VanDerWaalsContact O-CB 3.24Å; P437-S440 WeakPolarHBondContact O-CB 3.12Å; P437-S440 PolarHBondContact O-N 3.34Å; P437-S440 VanDerWaalsContact O-N 3.12Å; P437-S440 PolarHBondContact O-OG 3.12Å; P437-T604 WeakPolarHBondContact CG-O 3.16Å
438	I	88.2	Confident	90.4	Very high	26 Å²	26	41.4 Å²	41.4	13%	0.133	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	143	175.7	-163	163.5	0	0	0	110.4	S440 F576 W603 Y607 I609	I438-S440 PolarHBondContact O-N 2.99Å; I438-S440 VanDerWaalsContact O-N 3.09Å; I438-F576 HydrophobicContact CD1-CE1 4.39Å; I438-F576 HydrophobicContact CD1-CZ 3.88Å; I438-F576 HydrophobicContact CG1-CZ 4.2Å; I438-W603 HydrophobicContact CG2-CE3 3.99Å; I438-W603 HydrophobicContact CG2-CZ3 3.84Å; I438-Y607 HydrophobicContact CG2-CD2 4.28Å; I438-I609 HydrophobicContact CD1-CD1 3.22Å; I438-I609 HydrophobicContact CD1-CG1 3.47Å; I438-I609 VanDerWaalsContact CD1-CG1 3.47Å
439	R	92.3	Very high	90.7	Very high	9 Å²	9	41 Å²	41	3%	0.034	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	7.5	-176.4	-43.3	-174.2	66.7	170.2	6.1	115.1	P437 K452 F453 G550 E555 F576 W603	P437-R439 PolarHBondContact O-N 3.14Å; R439-K452 CarbonylContact O-C 3.59Å; R439-K452 WeakPolarHBondContact O-CA 3.28Å; R439-K452 PolarHBondContact O-N 3.35Å; R439-F453 PolarHBondContact O-N 3.3Å; R439-F453 VanDerWaalsContact O-N 3.09Å; R439-G550 PolarHBondContact NH2-O 3.36Å; R439-E555 WeakPolarHBondContact CB-OE1 3.39Å; R439-E555 WeakPolarHBondContact CD-OE1 3.34Å; R439-E555 WeakPolarHBondContact CG-OE1 3.47Å; R439-E555 IonicContact CZ-OE1 3.99Å; R439-E555 IonicContact CZ-OE2 3.27Å; R439-E555 IonicContact NE-OE1 3.22Å; R439-E555 PolarHBondContact NE-OE1 3.25Å; R439-E555 IonicContact NE-OE2 3.58Å; R439-E555 PolarHBondContact NE-OE2 2.79Å; R439-E555 IonicContact NH2-OE1 2.67Å; R439-E555 IonicContact NH2-OE2 3.55Å; R439-E555 PolarHBondContact NH2-OE2 2.99Å; R439-F576 HydrophobicContact CG-CE2 3.84Å; R439-F576 HydrophobicContact CG-CZ 3.81Å; R439-W603 HydrophobicContact CB-CE3 4.47Å; R439-W603 HydrophobicContact CG-CE3 4.1Å; R439-W603 HydrophobicContact CG-CZ3 3.96Å
440	S	93.8	Very high	91	Very high	9 Å²	9	40.9 Å²	40.9	6%	0.063	22%	0.217	C	C	.	.			trans	-84.9	158.1	175.3	74.4	0	0	0	0	112.7	P437 I438 I450	P437-S440 WeakPolarHBondContact CD-OG 3.48Å; P437-S440 VanDerWaalsContact O-CB 3.24Å; P437-S440 WeakPolarHBondContact O-CB 3.12Å; P437-S440 PolarHBondContact O-N 3.34Å; P437-S440 VanDerWaalsContact O-N 3.12Å; P437-S440 PolarHBondContact O-OG 3.12Å; I438-S440 PolarHBondContact O-N 2.99Å; I438-S440 VanDerWaalsContact O-N 3.09Å; S440-I450 WeakPolarHBondContact CA-O 3.49Å; S440-I450 WeakPolarHBondContact CB-O 3.04Å
441	K	93.5	Very high	91.6	Very high	76 Å²	76	40 Å²	40	33%	0.33	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	145.9	171	-177	173.9	174.6	-172.9	0	111.2	C443 C449 I450 F453 N554	K441-C443 PolarHBondContact O-N 3.01Å; K441-C449 WeakPolarHBondContact O-CA 3.41Å; K441-I450 PolarHBondContact N-O 2.9Å; K441-I450 PolarHBondContact O-N 3.28Å; K441-F453 HydrophobicContact CB-CB 3.82Å; K441-F453 HydrophobicContact CB-CD1 3.78Å; K441-F453 HydrophobicContact CB-CG 3.9Å; K441-F453 HydrophobicContact CD-CD1 3.71Å; K441-F453 HydrophobicContact CD-CE1 3.83Å; K441-F453 HydrophobicContact CG-CD1 4.18Å; K441-N554 WeakPolarHBondContact CD-OD1 3.27Å; K441-N554 WeakPolarHBondContact CE-OD1 3.09Å; K441-N554 PolarHBondContact NZ-OD1 3.43Å
442	H	94.1	Very high	91.9	Very high	38 Å²	38	40.3 Å²	40.3	18%	0.176	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	120.5	167.5	-176.1	84.3	0	0	0	110.4	C432 N447	C432-H442 PolarHBondContact SG-ND1 3.45Å; C432-H442 VanDerWaalsContact SG-ND1 3.37Å; H442-N447 VanDerWaalsContact CE1-C 3.45Å; H442-N447 PolarHBondContact CE1-OD1 2.72Å; H442-N447 VanDerWaalsContact CE1-OD1 3.27Å; H442-N447 PolarHBondContact NE2-OD1 2.91Å
443	C	94.2	Very high	92.1	Very high	7 Å²	7	39.9 Å²	39.9	5%	0.047	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	113.1	170.6	179.5	0	0	0	0	109.2	K441 V445 C446 N447 R448 I450 F453 C463	K441-C443 PolarHBondContact O-N 3.01Å; C443-V445 VanDerWaalsContact C-N 3.27Å; C443-V445 PolarHBondContact O-N 3.22Å; C443-C446 HydrophobicContact CB-CB 4.29Å; C443-C446 PolarHBondContact O-N 3.3Å; C443-N447 VanDerWaalsContact O-CA 3.25Å; C443-N447 WeakPolarHBondContact O-CA 3.33Å; C443-N447 PolarHBondContact O-N 3Å; C443-R448 PolarHBondContact N-O 3.31Å; C443-R448 PolarHBondContact O-N 2.79Å; C443-I450 HydrophobicContact CB-CG1 4.41Å; C443-F453 HydrophobicContact CB-CE2 3.94Å; C443-F453 HydrophobicContact CB-CZ 4.49Å; C443-C463 PolarHBondContact SG-SG 3.47Å
444	A	89.8	Confident	92.4	Very high	86 Å²	86	40 Å²	40	71%	0.711	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-31.7	178.7	0	0	0	0	0	113	N447	A444-N447 PolarHBondContact O-N 3Å
445	V	87.6	Confident	92.7	Very high	96 Å²	96	41.3 Å²	41.3	58%	0.582	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-45.8	179.9	-176	0	0	0	0	111.4	C443 N447	C443-V445 VanDerWaalsContact C-N 3.27Å; C443-V445 PolarHBondContact O-N 3.22Å; V445-N447 VanDerWaalsContact C-N 3.31Å
446	C	89.3	Confident	93	Very high	40 Å²	40	39.5 Å²	39.5	27%	0.27	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-7	177.2	-64.3	0	0	0	0	113	C443 R448 H456 C463	C443-C446 HydrophobicContact CB-CB 4.29Å; C443-C446 PolarHBondContact O-N 3.3Å; C446-R448 VanDerWaalsContact C-N 3.26Å; C446-R448 WeakPolarHBondContact O-CG 3.3Å; C446-R448 PolarHBondContact O-N 3.17Å; C446-H456 VanDerWaalsContact SG-CE1 3.56Å; C446-H456 PolarHBondContact SG-ND1 3.11Å; C446-C463 PolarHBondContact SG-SG 3.48Å
447	N	90.4	Very high	93.2	Very high	100 Å²	100	36.6 Å²	36.6	54%	0.535	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.6	43	-172.4	-163	21.3	0	0	0	113.8	T431 H442 C443 A444 V445	T431-N447 VanDerWaalsContact CG2-OD1 3.31Å; T431-N447 WeakPolarHBondContact CG2-OD1 3.15Å; H442-N447 VanDerWaalsContact CE1-C 3.45Å; H442-N447 PolarHBondContact CE1-OD1 2.72Å; H442-N447 VanDerWaalsContact CE1-OD1 3.27Å; H442-N447 PolarHBondContact NE2-OD1 2.91Å; C443-N447 VanDerWaalsContact O-CA 3.25Å; C443-N447 WeakPolarHBondContact O-CA 3.33Å; C443-N447 PolarHBondContact O-N 3Å; A444-N447 PolarHBondContact O-N 3Å; V445-N447 VanDerWaalsContact C-N 3.31Å
448	R	93.4	Very high	93.2	Very high	137 Å²	137	38 Å²	38	52%	0.517	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	146.3	-175.7	-69.6	176.3	-171.3	-170.8	0.4	111.7	I402 C443 C446 I450	I402-R448 HydrophobicContact CG2-CB 4.47Å; C443-R448 PolarHBondContact N-O 3.31Å; C443-R448 PolarHBondContact O-N 2.79Å; C446-R448 VanDerWaalsContact C-N 3.26Å; C446-R448 WeakPolarHBondContact O-CG 3.3Å; C446-R448 PolarHBondContact O-N 3.17Å; R448-I450 HydrophobicContact CB-CD1 4.1Å
449	C	95.1	Very high	93.2	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.007	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	126.8	168.5	-77.7	0	0	0	0	111	I403 C429 C432 I434 K441	I403-C449 HydrophobicContact CB-CB 4.38Å; I403-C449 HydrophobicContact CD1-CB 3.95Å; I403-C449 PolarHBondContact N-O 3.24Å; C429-C449 PolarHBondContact SG-SG 2.96Å; C432-C449 HydrophobicContact CB-CB 4.43Å; C432-C449 PolarHBondContact SG-N 2.94Å; C432-C449 VanDerWaalsContact SG-SG 3.6Å; I434-C449 HydrophobicContact CD1-CB 3.63Å; K441-C449 WeakPolarHBondContact O-CA 3.41Å
450	I	96.9	Very high	93.2	Very high	1 Å²	1	41 Å²	41	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	130.6	-178.2	-48.4	-54.6	0	0	0	108.8	P400 I402 S440 K441 C443 R448 F453 C463	P400-I450 HydrophobicContact CB-CG2 4.11Å; P400-I450 HydrophobicContact CG-CD1 3.95Å; P400-I450 HydrophobicContact CG-CG2 4.31Å; I402-I450 HydrophobicContact CG1-CD1 3.74Å; S440-I450 WeakPolarHBondContact CA-O 3.49Å; S440-I450 WeakPolarHBondContact CB-O 3.04Å; K441-I450 PolarHBondContact N-O 2.9Å; K441-I450 PolarHBondContact O-N 3.28Å; C443-I450 HydrophobicContact CB-CG1 4.41Å; R448-I450 HydrophobicContact CB-CD1 4.1Å; I450-F453 HydrophobicContact CB-CB 4.17Å; I450-F453 HydrophobicContact CB-CD2 3.83Å; I450-F453 HydrophobicContact CB-CG 4.47Å; I450-F453 HydrophobicContact CG1-CD2 4.05Å; I450-F453 HydrophobicContact CG2-CB 4.47Å; I450-F453 HydrophobicContact CG2-CD2 4.22Å; I450-C463 HydrophobicContact CD1-CB 4.41Å; I450-C463 HydrophobicContact CG1-CB 4.01Å; I450-C463 HydrophobicContact CG2-CB 4.47Å
451	A	95.8	Very high	92.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	140	173.1	0	0	0	0	0	111.3	G401 I403 F453 S466 W603 T604	G401-A451 WeakPolarHBondContact O-CB 3.29Å; G401-A451 PolarHBondContact O-N 3.33Å; I403-A451 HydrophobicContact CD1-CB 4.44Å; I403-A451 HydrophobicContact CG1-CB 4.2Å; A451-F453 PolarHBondContact O-N 3.21Å; A451-S466 PolarHBondContact O-N 2.89Å; A451-S466 VanDerWaalsContact O-N 3.07Å; A451-S466 PolarHBondContact O-OG 3.49Å; A451-W603 HydrophobicContact CB-CB 4Å; A451-W603 VanDerWaalsContact CB-O 3.23Å; A451-W603 WeakPolarHBondContact CB-O 2.99Å; A451-T604 HydrophobicContact CB-CG2 3.8Å
452	K	95.3	Very high	92.9	Very high	38 Å²	38	39.8 Å²	39.8	17%	0.165	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	42.5	52.8	-174.7	-164.3	179.2	174.4	-179.7	0	111.4	R439 D454 G465 T552 W603	R439-K452 CarbonylContact O-C 3.59Å; R439-K452 WeakPolarHBondContact O-CA 3.28Å; R439-K452 PolarHBondContact O-N 3.35Å; K452-D454 PolarHBondContact O-N 2.87Å; K452-G465 WeakPolarHBondContact O-CA 3.36Å; K452-T552 HydrophobicContact CG-CG2 3.78Å; K452-W603 HydrophobicContact CB-CB 4.02Å; K452-W603 HydrophobicContact CB-CG 3.93Å; K452-W603 HydrophobicContact CD-CD2 4.42Å; K452-W603 HydrophobicContact CD-CG 4.18Å
453	F	97.1	Very high	93	Very high	12 Å²	12	38 Å²	38	5%	0.053	21%	0.21	C	C	.	.			trans	-65.7	121.8	-172.4	173.6	-96.5	0	0	0	110.6	R439 K441 C443 I450 A451 H455 C463 T552 N554	R439-F453 PolarHBondContact O-N 3.3Å; R439-F453 VanDerWaalsContact O-N 3.09Å; K441-F453 HydrophobicContact CB-CB 3.82Å; K441-F453 HydrophobicContact CB-CD1 3.78Å; K441-F453 HydrophobicContact CB-CG 3.9Å; K441-F453 HydrophobicContact CD-CD1 3.71Å; K441-F453 HydrophobicContact CD-CE1 3.83Å; K441-F453 HydrophobicContact CG-CD1 4.18Å; C443-F453 HydrophobicContact CB-CE2 3.94Å; C443-F453 HydrophobicContact CB-CZ 4.49Å; I450-F453 HydrophobicContact CB-CB 4.17Å; I450-F453 HydrophobicContact CB-CD2 3.83Å; I450-F453 HydrophobicContact CB-CG 4.47Å; I450-F453 HydrophobicContact CG1-CD2 4.05Å; I450-F453 HydrophobicContact CG2-CB 4.47Å; I450-F453 HydrophobicContact CG2-CD2 4.22Å; A451-F453 PolarHBondContact O-N 3.21Å; F453-H455 VanDerWaalsContact CZ-C 3.48Å; F453-C463 HydrophobicContact CE2-CB 4.38Å; F453-T552 PolarHBondContact O-OG1 3.36Å; F453-N554 HydrophobicContact CD1-CB 3.66Å; F453-N554 HydrophobicContact CE1-CB 3.99Å; F453-N554 WeakPolarHBondContact O-CB 3.41Å
454	D	97.1	Very high	93.2	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.011	21%	0.208	C	C	.	.			trans	-90.3	-65.1	174.7	-165.3	72.9	0	0	0	111.8	K452 V464 H469 Q542 T552 T553 N554	K452-D454 PolarHBondContact O-N 2.87Å; D454-V464 HydrophobicContact CB-CB 4.3Å; D454-V464 HydrophobicContact CB-CG1 4.15Å; D454-V464 WeakPolarHBondContact CB-O 3.4Å; D454-V464 PolarHBondContact N-O 2.78Å; D454-H469 IonicContact OD1-CE1 3.98Å; D454-H469 PolarHBondContact OD1-CE1 3.32Å; D454-Q542 PolarHBondContact OD2-NE2 2.83Å; D454-Q542 PolarHBondContact OD2-OE1 3.46Å; D454-T552 HydrophobicContact CB-CG2 4.38Å; D454-T552 VanDerWaalsContact OD1-CA 3.22Å; D454-T552 WeakPolarHBondContact OD1-CA 3.16Å; D454-T552 VanDerWaalsContact OD1-CB 3.27Å; D454-T552 WeakPolarHBondContact OD1-CB 3.27Å; D454-T553 PolarHBondContact OD1-N 2.87Å; D454-T553 PolarHBondContact OD1-OG1 3.27Å; D454-T553 PolarHBondContact OD2-OG1 3.05Å; D454-N554 VanDerWaalsContact O-CB 3.29Å; D454-N554 WeakPolarHBondContact O-CB 3.35Å; D454-N554 PolarHBondContact O-N 3.24Å; D454-N554 VanDerWaalsContact O-N 3.09Å
455	H	95.8	Very high	93.5	Very high	38 Å²	38	33.6 Å²	33.6	18%	0.176	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	166.6	175.6	63.6	-74	0	0	0	110.8	F453 C457 V464 F472	F453-H455 VanDerWaalsContact CZ-C 3.48Å; H455-C457 WeakPolarHBondContact NE2-CB 3.38Å; H455-V464 PolarHBondContact N-O 3.31Å; H455-V464 PolarHBondContact O-N 2.8Å; H455-F472 AromaticContact CE1-CE1 3.64Å; H455-F472 AromaticContact CE1-CZ 3.77Å; H455-F472 AromaticContact NE2-CZ 3.73Å
456	H	94.8	Very high	93.9	Very high	43 Å²	43	31.2 Å²	31.2	20%	0.199	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	123	161.3	-179.3	84.8	0	0	0	108.4	C446 P458	C446-H456 VanDerWaalsContact SG-CE1 3.56Å; C446-H456 PolarHBondContact SG-ND1 3.11Å; H456-P458 WeakPolarHBondContact O-CD 3.06Å
457	C	92.9	Very high	94.1	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.02	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	106.4	-175.2	-173.4	0	0	0	0	110.4	H455 W459 V460 G461 N462 V464 F472	H455-C457 WeakPolarHBondContact NE2-CB 3.38Å; C457-W459 PolarHBondContact O-N 3.24Å; C457-V460 HydrophobicContact CB-CG2 3.68Å; C457-V460 PolarHBondContact O-N 3.46Å; C457-G461 PolarHBondContact O-N 3Å; C457-N462 PolarHBondContact N-O 3.32Å; C457-N462 PolarHBondContact O-N 3.06Å; C457-V464 HydrophobicContact CB-CG2 3.86Å; C457-F472 HydrophobicContact CB-CE2 4.33Å; C457-F472 VanDerWaalsContact SG-CE2 3.55Å
458	P	89.6	Confident	94.4	Very high	36 Å²	36	26.1 Å²	26.1	23%	0.234	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-23.9	-179.3	27.8	-34.9	0	0	0	112.2	P349 H456 V460 G461	P349-P458 HydrophobicContact CB-CB 4.1Å; P349-P458 HydrophobicContact CB-CG 4.32Å; P349-P458 HydrophobicContact CG-CB 4.05Å; P349-P458 HydrophobicContact CG-CG 4.33Å; H456-P458 WeakPolarHBondContact O-CD 3.06Å; P458-V460 VanDerWaalsContact C-N 3.32Å; P458-V460 PolarHBondContact O-N 3.5Å; P458-G461 PolarHBondContact O-N 3.42Å
459	W	89.4	Confident	94.6	Very high	97 Å²	97	20 Å²	20	37%	0.367	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-19.8	179.7	-57	101.8	0	0	0	114.5	P349 L350 I352 C457	P349-W459 HydrophobicContact CB-CD2 3.85Å; P349-W459 HydrophobicContact CB-CE3 3.81Å; P349-W459 HydrophobicContact CB-CH2 4.08Å; P349-W459 HydrophobicContact CB-CZ2 4.08Å; P349-W459 HydrophobicContact CB-CZ3 3.95Å; P349-W459 WeakPolarHBondContact O-CZ3 3.2Å; L350-W459 VanDerWaalsContact CD1-O 3.24Å; L350-W459 WeakPolarHBondContact CD1-O 3.34Å; I352-W459 HydrophobicContact CB-CZ3 4.32Å; I352-W459 HydrophobicContact CG2-CZ3 4.35Å; C457-W459 PolarHBondContact O-N 3.24Å
460	V	90.5	Very high	94.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.6	0.1	171.9	-57	0	0	0	0	112.2	F392 C457 P458 N462 F472 Y475	F392-V460 HydrophobicContact CD2-CG1 4.1Å; F392-V460 HydrophobicContact CE2-CB 4.47Å; F392-V460 HydrophobicContact CE2-CG1 4.14Å; C457-V460 HydrophobicContact CB-CG2 3.68Å; C457-V460 PolarHBondContact O-N 3.46Å; P458-V460 VanDerWaalsContact C-N 3.32Å; P458-V460 PolarHBondContact O-N 3.5Å; V460-N462 HydrophobicContact CG2-CB 4.44Å; V460-N462 PolarHBondContact O-N 3.35Å; V460-F472 HydrophobicContact CG1-CD2 4.36Å; V460-F472 HydrophobicContact CG1-CE2 4.44Å; V460-Y475 HydrophobicContact CG1-CD1 4.12Å; V460-Y475 HydrophobicContact CG1-CE1 3.92Å
461	G	88.4	Confident	94.7	Very high	38 Å²	38	26 Å²	26	39%	0.392	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	26.3	179.2	0	0	0	0	0	114.5	C457 P458	C457-G461 PolarHBondContact O-N 3Å; P458-G461 PolarHBondContact O-N 3.42Å
462	N	93	Very high	94.8	Very high	23 Å²	23	26.1 Å²	26.1	12%	0.123	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	163.9	-176.9	-163.6	6.9	0	0	0	111.1	S395 W396 S398 C457 V460	S395-N462 PolarHBondContact O-ND2 2.94Å; W396-N462 PolarHBondContact O-ND2 3.25Å; S398-N462 PolarHBondContact O-ND2 3.3Å; S398-N462 VanDerWaalsContact O-ND2 3.13Å; C457-N462 PolarHBondContact N-O 3.32Å; C457-N462 PolarHBondContact O-N 3.06Å; V460-N462 HydrophobicContact CG2-CB 4.44Å; V460-N462 PolarHBondContact O-N 3.35Å
463	C	96.3	Very high	94.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	149.1	166.7	-69.7	0	0	0	0	110.8	P400 C443 C446 I450 F453 N468	P400-C463 HydrophobicContact CB-CB 3.99Å; P400-C463 WeakPolarHBondContact CB-O 3.39Å; P400-C463 HydrophobicContact CG-CB 3.98Å; C443-C463 PolarHBondContact SG-SG 3.47Å; C446-C463 PolarHBondContact SG-SG 3.48Å; I450-C463 HydrophobicContact CD1-CB 4.41Å; I450-C463 HydrophobicContact CG1-CB 4.01Å; I450-C463 HydrophobicContact CG2-CB 4.47Å; F453-C463 HydrophobicContact CE2-CB 4.38Å; C463-N468 PolarHBondContact O-ND2 3.46Å; C463-N468 PolarHBondContact O-OD1 3.3Å
464	V	97.8	Very high	95	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	121.2	166.8	-177.5	0	0	0	0	107.1	D454 H455 C457 N468 H469 F472	D454-V464 HydrophobicContact CB-CB 4.3Å; D454-V464 HydrophobicContact CB-CG1 4.15Å; D454-V464 WeakPolarHBondContact CB-O 3.4Å; D454-V464 PolarHBondContact N-O 2.78Å; H455-V464 PolarHBondContact N-O 3.31Å; H455-V464 PolarHBondContact O-N 2.8Å; C457-V464 HydrophobicContact CB-CG2 3.86Å; V464-N468 WeakPolarHBondContact CA-OD1 3.11Å; V464-H469 HydrophobicContact CG1-CB 3.96Å; V464-H469 VanDerWaalsContact CG1-CD2 3.43Å; V464-H469 WeakPolarHBondContact CG1-CD2 3.25Å; V464-F472 HydrophobicContact CG1-CB 3.97Å; V464-F472 HydrophobicContact CG1-CD1 4.03Å; V464-F472 HydrophobicContact CG1-CG 4.04Å; V464-F472 HydrophobicContact CG2-CB 4.23Å; V464-F472 HydrophobicContact CG2-CD1 4.21Å; V464-F472 HydrophobicContact CG2-CD2 3.82Å; V464-F472 HydrophobicContact CG2-CE2 4.22Å; V464-F472 HydrophobicContact CG2-CG 3.81Å
465	G	97.1	Very high	95	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-156.5	-165.7	-177.1	0	0	0	0	0	112.5	P400 K452 G467 N468 H469	P400-G465 CarbonylContact O-C 3.33Å; P400-G465 VanDerWaalsContact O-CA 3.26Å; P400-G465 WeakPolarHBondContact O-CA 3.31Å; K452-G465 WeakPolarHBondContact O-CA 3.36Å; G465-G467 PolarHBondContact O-N 2.87Å; G465-N468 PolarHBondContact N-OD1 3.31Å; G465-N468 PolarHBondContact O-N 3.33Å; G465-N468 VanDerWaalsContact O-N 3.16Å; G465-N468 PolarHBondContact O-OD1 2.99Å; G465-H469 VanDerWaalsContact O-CB 3.31Å; G465-H469 WeakPolarHBondContact O-CB 3.32Å; G465-H469 PolarHBondContact O-N 3.11Å
466	S	95.1	Very high	95.1	Very high	46 Å²	46	23.2 Å²	23.2	32%	0.322	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-36.8	-173.6	59	0	0	0	0	114	P400 A451	P400-S466 PolarHBondContact O-N 2.8Å; P400-S466 VanDerWaalsContact O-N 3.1Å; A451-S466 PolarHBondContact O-N 2.89Å; A451-S466 VanDerWaalsContact O-N 3.07Å; A451-S466 PolarHBondContact O-OG 3.49Å
467	G	94.9	Very high	95.3	Very high	34 Å²	34	26.1 Å²	26.1	35%	0.351	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-19.2	-173.9	0	0	0	0	0	115.6	D399 P400 G465	D399-G467 CarbonylContact O-C 3.48Å; D399-G467 WeakPolarHBondContact O-CA 2.98Å; P400-G467 PolarHBondContact O-N 3.43Å; P400-G467 VanDerWaalsContact O-N 3.07Å; G465-G467 PolarHBondContact O-N 2.87Å
468	N	96.9	Very high	95.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.3	-1.7	-172.5	73	-11.2	0	0	0	116.1	S395 C463 V464 G465 R470 Y471 F472	S395-N468 PolarHBondContact O-ND2 3.02Å; S395-N468 VanDerWaalsContact O-ND2 3.1Å; C463-N468 PolarHBondContact O-ND2 3.46Å; C463-N468 PolarHBondContact O-OD1 3.3Å; V464-N468 WeakPolarHBondContact CA-OD1 3.11Å; G465-N468 PolarHBondContact N-OD1 3.31Å; G465-N468 PolarHBondContact O-N 3.33Å; G465-N468 VanDerWaalsContact O-N 3.16Å; G465-N468 PolarHBondContact O-OD1 2.99Å; N468-R470 VanDerWaalsContact C-N 3.3Å; N468-R470 PolarHBondContact O-N 3.45Å; N468-Y471 HydrophobicContact CB-CD2 4.5Å; N468-Y471 PolarHBondContact O-N 2.88Å; N468-Y471 VanDerWaalsContact O-N 3.09Å; N468-F472 PolarHBondContact O-N 2.78Å; N468-F472 VanDerWaalsContact O-N 3.14Å
469	H	96.9	Very high	95.9	Very high	7 Å²	7	27.1 Å²	27.1	3%	0.032	14%	0.144	C	C	.	.	H	α-helix	trans	-57.9	-37.8	-176.2	-157.8	169.5	0	0	0	113.3	D454 V464 G465 Y471 F472 M473 Q542 F587	D454-H469 IonicContact OD1-CE1 3.98Å; D454-H469 PolarHBondContact OD1-CE1 3.32Å; V464-H469 HydrophobicContact CG1-CB 3.96Å; V464-H469 VanDerWaalsContact CG1-CD2 3.43Å; V464-H469 WeakPolarHBondContact CG1-CD2 3.25Å; G465-H469 VanDerWaalsContact O-CB 3.31Å; G465-H469 WeakPolarHBondContact O-CB 3.32Å; G465-H469 PolarHBondContact O-N 3.11Å; H469-Y471 VanDerWaalsContact C-N 3.33Å; H469-Y471 PolarHBondContact O-N 2.72Å; H469-F472 WeakPolarHBondContact O-CB 3.15Å; H469-F472 PolarHBondContact O-N 2.85Å; H469-F472 VanDerWaalsContact O-N 3.11Å; H469-M473 PolarHBondContact O-N 3.38Å; H469-Q542 PolarHBondContact NE2-OE1 2.98Å; H469-F587 HydrophobicContact CB-CE2 3.94Å; H469-F587 HydrophobicContact CB-CZ 3.85Å; H469-F587 AromaticContact CD2-CZ 3.8Å; H469-F587 AromaticContact CG-CE2 3.61Å; H469-F587 AromaticContact CG-CZ 3.57Å; H469-F587 AromaticContact ND1-CE2 3.53Å; H469-F587 AromaticContact ND1-CZ 3.95Å
470	R	96.1	Very high	96.3	Very high	92 Å²	92	24.1 Å²	24.1	35%	0.347	14%	0.135	S	C	.	.	H	α-helix	trans	-60.5	-39.8	176.6	66.3	-178.8	177.4	-168.7	-7.8	113.3	N468 F472 M473 G474 F587 E589	N468-R470 VanDerWaalsContact C-N 3.3Å; N468-R470 PolarHBondContact O-N 3.45Å; R470-F472 VanDerWaalsContact C-N 3.31Å; R470-M473 PolarHBondContact O-N 2.95Å; R470-G474 PolarHBondContact O-N 3.34Å; R470-F587 HydrophobicContact CB-CE1 4.36Å; R470-E589 IonicContact CZ-OE2 2.73Å; R470-E589 VanDerWaalsContact NH1-CD 3.33Å; R470-E589 IonicContact NH1-OE1 3.72Å; R470-E589 IonicContact NH1-OE2 3.49Å; R470-E589 PolarHBondContact NH1-OE2 3.29Å
471	Y	97.9	Very high	96.7	Very high	38 Å²	38	25.8 Å²	25.8	15%	0.149	15%	0.146	C	C	.	.	H	α-helix	trans	-70.8	-33.5	177	-59.3	-65.3	0	0	0	110.7	Y390 K394 S395 N468 H469 M473 G474 Y475	Y390-Y471 HydrophobicContact CE1-CD1 4.38Å; Y390-Y471 HydrophobicContact CE1-CE1 4.16Å; K394-Y471 HydrophobicContact CB-CD1 3.61Å; K394-Y471 HydrophobicContact CB-CD2 3.72Å; K394-Y471 HydrophobicContact CB-CE1 4.13Å; K394-Y471 HydrophobicContact CB-CE2 4.23Å; K394-Y471 HydrophobicContact CB-CG 3.39Å; K394-Y471 HydrophobicContact CD-CE1 4.31Å; K394-Y471 HydrophobicContact CD-CE2 4.28Å; K394-Y471 HydrophobicContact CG-CD1 3.9Å; K394-Y471 HydrophobicContact CG-CD2 4.43Å; K394-Y471 HydrophobicContact CG-CE1 3.96Å; K394-Y471 HydrophobicContact CG-CE2 4.48Å; K394-Y471 HydrophobicContact CG-CG 4.15Å; S395-Y471 PolarHBondContact OG-O 3.26Å; N468-Y471 HydrophobicContact CB-CD2 4.5Å; N468-Y471 PolarHBondContact O-N 2.88Å; N468-Y471 VanDerWaalsContact O-N 3.09Å; H469-Y471 VanDerWaalsContact C-N 3.33Å; H469-Y471 PolarHBondContact O-N 2.72Å; Y471-M473 VanDerWaalsContact C-N 3.34Å; Y471-G474 PolarHBondContact O-N 3.02Å; Y471-Y475 VanDerWaalsContact O-CB 3.31Å; Y471-Y475 WeakPolarHBondContact O-CB 3.42Å; Y471-Y475 PolarHBondContact O-N 3.43Å
472	F	97.9	Very high	97.1	Very high	1 Å²	1	24 Å²	24	0%	0.004	13%	0.128	C	C	.	.	H	α-helix	trans	-63.7	-40.8	173.6	-178.4	-103.9	0	0	0	111.5	S395 H455 C457 V460 V464 N468 H469 R470 Y475 L476 L538	S395-F472 WeakPolarHBondContact OG-CA 3.01Å; S395-F472 PolarHBondContact OG-N 3.09Å; H455-F472 AromaticContact CE1-CE1 3.64Å; H455-F472 AromaticContact CE1-CZ 3.77Å; H455-F472 AromaticContact NE2-CZ 3.73Å; C457-F472 HydrophobicContact CB-CE2 4.33Å; C457-F472 VanDerWaalsContact SG-CE2 3.55Å; V460-F472 HydrophobicContact CG1-CD2 4.36Å; V460-F472 HydrophobicContact CG1-CE2 4.44Å; V464-F472 HydrophobicContact CG1-CB 3.97Å; V464-F472 HydrophobicContact CG1-CD1 4.03Å; V464-F472 HydrophobicContact CG1-CG 4.04Å; V464-F472 HydrophobicContact CG2-CB 4.23Å; V464-F472 HydrophobicContact CG2-CD1 4.21Å; V464-F472 HydrophobicContact CG2-CD2 3.82Å; V464-F472 HydrophobicContact CG2-CE2 4.22Å; V464-F472 HydrophobicContact CG2-CG 3.81Å; N468-F472 PolarHBondContact O-N 2.78Å; N468-F472 VanDerWaalsContact O-N 3.14Å; H469-F472 WeakPolarHBondContact O-CB 3.15Å; H469-F472 PolarHBondContact O-N 2.85Å; H469-F472 VanDerWaalsContact O-N 3.11Å; R470-F472 VanDerWaalsContact C-N 3.31Å; F472-Y475 HydrophobicContact CD2-CD1 4.02Å; F472-Y475 HydrophobicContact CE2-CD1 4.08Å; F472-Y475 HydrophobicContact CE2-CE1 4.3Å; F472-Y475 WeakPolarHBondContact O-CB 3.39Å; F472-Y475 PolarHBondContact O-N 2.93Å; F472-L476 HydrophobicContact CD1-CD1 4.21Å; F472-L476 HydrophobicContact CE1-CD1 3.66Å; F472-L476 HydrophobicContact CE1-CG 4.2Å; F472-L476 HydrophobicContact CZ-CD1 4.04Å; F472-L476 HydrophobicContact CZ-CD2 4.21Å; F472-L476 HydrophobicContact CZ-CG 4.24Å; F472-L476 WeakPolarHBondContact O-CG 3.43Å; F472-L476 PolarHBondContact O-N 3.37Å; F472-L538 HydrophobicContact CZ-CD2 4.31Å
473	M	97.9	Very high	97.4	Very high	5 Å²	5	22.9 Å²	22.9	3%	0.025	12%	0.122	C	C	.	.	H	α-helix	trans	-64.5	-42.7	173.1	-66.2	-51	-65.4	0	0	112.5	H469 R470 Y471 Y475 L476 F477 I539 Q542 L543 I546 F587 F588	H469-M473 PolarHBondContact O-N 3.38Å; R470-M473 PolarHBondContact O-N 2.95Å; Y471-M473 VanDerWaalsContact C-N 3.34Å; M473-Y475 VanDerWaalsContact C-N 3.31Å; M473-Y475 PolarHBondContact O-N 2.62Å; M473-L476 PolarHBondContact O-N 3.41Å; M473-L476 HydrophobicContact SD-CD1 4.41Å; M473-F477 PolarHBondContact O-N 3.09Å; M473-I539 HydrophobicContact CE-CG1 3.83Å; M473-Q542 HydrophobicContact CE-CB 3.69Å; M473-Q542 HydrophobicContact SD-CB 3.5Å; M473-Q542 VanDerWaalsContact SD-CB 3.5Å; M473-Q542 HydrophobicContact SD-CG 4.2Å; M473-L543 HydrophobicContact CE-CD2 3.69Å; M473-L543 HydrophobicContact CE-CG 3.61Å; M473-I546 HydrophobicContact CE-CD1 4.23Å; M473-I546 HydrophobicContact CG-CD1 3.88Å; M473-I546 HydrophobicContact SD-CD1 3.86Å; M473-F587 HydrophobicContact CB-CE1 4.38Å; M473-F587 HydrophobicContact CG-CE1 3.73Å; M473-F587 HydrophobicContact CG-CZ 3.81Å; M473-F588 HydrophobicContact CB-CE1 4.15Å; M473-F588 HydrophobicContact CB-CZ 4.15Å
474	G	97.8	Very high	97.4	Very high	13 Å²	13	25.6 Å²	25.6	13%	0.134	14%	0.14	C	C	.	.	H	α-helix	trans	-60.2	-41.8	173.1	0	0	0	0	0	112.3	R470 Y471 F477 F478	R470-G474 PolarHBondContact O-N 3.34Å; Y471-G474 PolarHBondContact O-N 3.02Å; G474-F477 PolarHBondContact O-N 2.94Å; G474-F478 WeakPolarHBondContact O-CD2 3.48Å; G474-F478 PolarHBondContact O-N 3.03Å
475	Y	97.9	Very high	97.5	Very high	8 Å²	8	28.7 Å²	28.7	3%	0.031	15%	0.152	C	C	.	.	H	α-helix	trans	-58.1	-49.8	175.9	160	-113.6	0	0	0	111	Y353 L388 F392 V460 Y471 F472 M473 F477 L479	Y353-Y475 WeakPolarHBondContact CD2-OH 3.34Å; Y353-Y475 AromaticContact CE2-CE2 3.91Å; Y353-Y475 HydrophobicContact CE2-CE2 3.91Å; Y353-Y475 AromaticContact CE2-CZ 3.9Å; Y353-Y475 WeakPolarHBondContact CE2-OH 3.35Å; Y353-Y475 AromaticContact CZ-CE2 3.7Å; Y353-Y475 WeakPolarHBondContact OH-CE2 3.34Å; L388-Y475 HydrophobicContact CD1-CD2 3.59Å; L388-Y475 HydrophobicContact CD1-CE2 3.91Å; F392-Y475 HydrophobicContact CB-CD2 3.83Å; F392-Y475 HydrophobicContact CB-CE2 4.26Å; F392-Y475 HydrophobicContact CD2-CD2 4.15Å; F392-Y475 AromaticContact CD2-CE2 3.86Å; F392-Y475 HydrophobicContact CD2-CE2 3.86Å; F392-Y475 HydrophobicContact CG-CD2 4.5Å; V460-Y475 HydrophobicContact CG1-CD1 4.12Å; V460-Y475 HydrophobicContact CG1-CE1 3.92Å; Y471-Y475 VanDerWaalsContact O-CB 3.31Å; Y471-Y475 WeakPolarHBondContact O-CB 3.42Å; Y471-Y475 PolarHBondContact O-N 3.43Å; F472-Y475 HydrophobicContact CD2-CD1 4.02Å; F472-Y475 HydrophobicContact CE2-CD1 4.08Å; F472-Y475 HydrophobicContact CE2-CE1 4.3Å; F472-Y475 WeakPolarHBondContact O-CB 3.39Å; F472-Y475 PolarHBondContact O-N 2.93Å; M473-Y475 VanDerWaalsContact C-N 3.31Å; M473-Y475 PolarHBondContact O-N 2.62Å; Y475-F477 VanDerWaalsContact C-N 3.34Å; Y475-F477 PolarHBondContact O-N 2.64Å; Y475-L479 HydrophobicContact CE1-CD2 4.42Å; Y475-L479 HydrophobicContact CE2-CB 4.45Å; Y475-L479 HydrophobicContact CE2-CD2 4.02Å; Y475-L479 WeakPolarHBondContact O-CB 3.47Å; Y475-L479 PolarHBondContact O-N 2.83Å
476	L	97.8	Very high	97.5	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.021	15%	0.152	C	C	.	.	H	α-helix	trans	-61.8	-40.6	177.4	-65	-179.2	0	0	0	112.5	F472 M473 L480 V535 L538 I539 Q542	F472-L476 HydrophobicContact CD1-CD1 4.21Å; F472-L476 HydrophobicContact CE1-CD1 3.66Å; F472-L476 HydrophobicContact CE1-CG 4.2Å; F472-L476 HydrophobicContact CZ-CD1 4.04Å; F472-L476 HydrophobicContact CZ-CD2 4.21Å; F472-L476 HydrophobicContact CZ-CG 4.24Å; F472-L476 WeakPolarHBondContact O-CG 3.43Å; F472-L476 PolarHBondContact O-N 3.37Å; M473-L476 PolarHBondContact O-N 3.41Å; M473-L476 HydrophobicContact SD-CD1 4.41Å; L476-L480 WeakPolarHBondContact O-CB 3.32Å; L476-L480 PolarHBondContact O-N 3.44Å; L476-V535 HydrophobicContact CD2-CG1 4.47Å; L476-V535 WeakPolarHBondContact O-CG1 3.24Å; L476-L538 HydrophobicContact CD1-CD2 4.07Å; L476-L538 HydrophobicContact CD1-CG 3.89Å; L476-L538 HydrophobicContact CD2-CD2 3.74Å; L476-L538 HydrophobicContact CD2-CG 4.38Å; L476-I539 HydrophobicContact CB-CB 4.11Å; L476-I539 HydrophobicContact CB-CD1 4.08Å; L476-I539 HydrophobicContact CB-CG1 4.09Å; L476-I539 HydrophobicContact CD1-CB 4.27Å; L476-Q542 HydrophobicContact CD1-CG 4.47Å
477	F	98.2	Very high	97.6	Very high	103 Å²	103	27.9 Å²	27.9	45%	0.452	14%	0.143	S	C	.	.	H	α-helix	trans	-63.8	-56.6	179.8	175.4	-97.7	0	0	0	111.9	M473 G474 Y475 L479 L480 C481 I539	M473-F477 PolarHBondContact O-N 3.09Å; G474-F477 PolarHBondContact O-N 2.94Å; Y475-F477 VanDerWaalsContact C-N 3.34Å; Y475-F477 PolarHBondContact O-N 2.64Å; F477-L479 PolarHBondContact O-N 3.13Å; F477-L480 WeakPolarHBondContact O-CB 3.48Å; F477-L480 PolarHBondContact O-N 2.92Å; F477-L480 VanDerWaalsContact O-N 3.1Å; F477-C481 PolarHBondContact O-N 3.42Å; F477-C481 PolarHBondContact O-SG 3.33Å; F477-I539 HydrophobicContact CB-CD1 3.91Å
478	F	98.4	Very high	97.8	Very high	57 Å²	57	31.1 Å²	31.1	25%	0.25	15%	0.146	C	C	.	.	H	α-helix	trans	-68.2	-24.8	-179.1	-68.1	-65.2	0	0	0	112.2	N384 A387 L388 N391 G474 M482	N384-F478 PolarHBondContact ND2-O 3.46Å; N384-F478 WeakPolarHBondContact OD1-CD1 3.48Å; N384-F478 PolarHBondContact OD1-O 3.05Å; A387-F478 HydrophobicContact CB-CD1 3.68Å; A387-F478 HydrophobicContact CB-CD2 3.76Å; A387-F478 HydrophobicContact CB-CE1 3.62Å; A387-F478 HydrophobicContact CB-CE2 3.73Å; A387-F478 HydrophobicContact CB-CG 3.75Å; A387-F478 HydrophobicContact CB-CZ 3.65Å; L388-F478 HydrophobicContact CB-CB 3.84Å; L388-F478 HydrophobicContact CD1-CB 4.4Å; N391-F478 WeakPolarHBondContact ND2-CD2 3.1Å; N391-F478 WeakPolarHBondContact ND2-CE2 3.17Å; G474-F478 WeakPolarHBondContact O-CD2 3.48Å; G474-F478 PolarHBondContact O-N 3.03Å; F478-M482 VanDerWaalsContact O-CB 3.31Å; F478-M482 WeakPolarHBondContact O-CB 3.07Å; F478-M482 PolarHBondContact O-N 3.25Å
479	L	97.5	Very high	97.8	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.021	15%	0.146	C	C	.	.	H	α-helix	trans	-66.6	-46.4	170.8	174.3	56.7	0	0	0	110.8	Y353 K357 L388 Y475 F477 C481 M482 I483 V535	Y353-L479 HydrophobicContact CE2-CD1 4.19Å; Y353-L479 HydrophobicContact CE2-CD2 4.21Å; K357-L479 HydrophobicContact CD-CD1 4.26Å; L388-L479 HydrophobicContact CD1-CB 3.79Å; L388-L479 HydrophobicContact CD2-CD1 4.48Å; Y475-L479 HydrophobicContact CE1-CD2 4.42Å; Y475-L479 HydrophobicContact CE2-CB 4.45Å; Y475-L479 HydrophobicContact CE2-CD2 4.02Å; Y475-L479 WeakPolarHBondContact O-CB 3.47Å; Y475-L479 PolarHBondContact O-N 2.83Å; F477-L479 PolarHBondContact O-N 3.13Å; L479-C481 VanDerWaalsContact C-N 3.34Å; L479-C481 PolarHBondContact O-N 3.5Å; L479-M482 PolarHBondContact O-N 3.4Å; L479-I483 HydrophobicContact CD1-CD1 3.9Å; L479-I483 HydrophobicContact CD1-CG1 4.23Å; L479-I483 HydrophobicContact CG-CD1 3.95Å; L479-I483 WeakPolarHBondContact O-CD1 3.19Å; L479-I483 VanDerWaalsContact O-CG1 3.23Å; L479-I483 WeakPolarHBondContact O-CG1 3.4Å; L479-I483 PolarHBondContact O-N 3.25Å; L479-V535 HydrophobicContact CB-CG1 4.45Å; L479-V535 HydrophobicContact CD2-CG1 4.15Å; L479-V535 HydrophobicContact CD2-CG2 3.6Å; L479-V535 HydrophobicContact CG-CG1 4.12Å; L479-V535 HydrophobicContact CG-CG2 4.01Å
480	L	98	Very high	97.8	Very high	33 Å²	33	30.8 Å²	30.8	17%	0.173	14%	0.144	C	C	.	.	H	α-helix	trans	-60	-45.4	175.9	-170.9	66.4	0	0	0	111.1	L476 F477 M482 I483 C484 F532 V535 A536 I539	L476-L480 WeakPolarHBondContact O-CB 3.32Å; L476-L480 PolarHBondContact O-N 3.44Å; F477-L480 WeakPolarHBondContact O-CB 3.48Å; F477-L480 PolarHBondContact O-N 2.92Å; F477-L480 VanDerWaalsContact O-N 3.1Å; L480-M482 PolarHBondContact O-N 2.94Å; L480-I483 PolarHBondContact O-N 3.4Å; L480-C484 PolarHBondContact O-N 3.34Å; L480-C484 PolarHBondContact O-SG 2.9Å; L480-C484 VanDerWaalsContact O-SG 3.32Å; L480-F532 HydrophobicContact CD1-CD2 3.46Å; L480-F532 VanDerWaalsContact CD1-CD2 3.46Å; L480-F532 HydrophobicContact CD1-CE2 3.53Å; L480-F532 HydrophobicContact CD1-CG 4.19Å; L480-F532 HydrophobicContact CD1-CZ 4.31Å; L480-F532 HydrophobicContact CG-CD2 4.43Å; L480-F532 HydrophobicContact CG-CE2 4.18Å; L480-V535 HydrophobicContact CB-CG1 4.04Å; L480-V535 HydrophobicContact CD1-CB 4.42Å; L480-V535 HydrophobicContact CD1-CG1 4.28Å; L480-A536 HydrophobicContact CD1-CB 4.02Å; L480-I539 HydrophobicContact CD2-CG2 4.4Å
481	C	98.3	Very high	97.7	Very high	36 Å²	36	30.2 Å²	30.2	24%	0.243	15%	0.147	C	C	.	.	H	α-helix	trans	-60.7	-42.6	175.4	-67.4	0	0	0	0	112.6	N384 F477 L479 I483 C484 W485	N384-C481 WeakPolarHBondContact OD1-CB 3.26Å; F477-C481 PolarHBondContact O-N 3.42Å; F477-C481 PolarHBondContact O-SG 3.33Å; L479-C481 VanDerWaalsContact C-N 3.34Å; L479-C481 PolarHBondContact O-N 3.5Å; C481-I483 VanDerWaalsContact C-N 3.29Å; C481-I483 PolarHBondContact O-N 3.48Å; C481-C484 WeakPolarHBondContact O-CB 3.26Å; C481-C484 PolarHBondContact O-N 3.47Å; C481-W485 PolarHBondContact O-N 2.92Å
482	M	97.7	Very high	97.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-60.6	-40.3	176	-177.6	-88.1	-151.3	0	0	111.5	K357 M360 Y361 F381 N384 L388 F478 L479 L480 W485 M486	K357-M482 HydrophobicContact CB-CE 4.38Å; K357-M482 HydrophobicContact CD-CE 3.72Å; K357-M482 HydrophobicContact CD-SD 4.35Å; K357-M482 HydrophobicContact CG-CE 4.42Å; M360-M482 HydrophobicContact CB-CE 3.91Å; M360-M482 HydrophobicContact SD-CE 4.16Å; M360-M482 HydrophobicContact SD-SD 4.2Å; Y361-M482 HydrophobicContact CD2-CE 4.08Å; Y361-M482 HydrophobicContact CE1-CE 4.08Å; Y361-M482 HydrophobicContact CE2-CE 3.53Å; F381-M482 HydrophobicContact CE2-CG 4.31Å; N384-M482 VanDerWaalsContact ND2-CA 3.33Å; N384-M482 WeakPolarHBondContact ND2-CA 3.38Å; N384-M482 WeakPolarHBondContact ND2-CB 3.23Å; N384-M482 PolarHBondContact ND2-N 3.5Å; L388-M482 HydrophobicContact CD2-CB 3.97Å; L388-M482 HydrophobicContact CD2-CG 4.06Å; F478-M482 VanDerWaalsContact O-CB 3.31Å; F478-M482 WeakPolarHBondContact O-CB 3.07Å; F478-M482 PolarHBondContact O-N 3.25Å; L479-M482 PolarHBondContact O-N 3.4Å; L480-M482 PolarHBondContact O-N 2.94Å; M482-W485 WeakPolarHBondContact O-CB 3.37Å; M482-W485 PolarHBondContact O-N 3.43Å; M482-M486 PolarHBondContact O-N 2.91Å
483	I	98.1	Very high	97.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-66.6	-41	176.6	-65.9	159.3	0	0	0	111.2	L479 L480 C481 W485 M486 I487 S528 H531 F532 V535	L479-I483 HydrophobicContact CD1-CD1 3.9Å; L479-I483 HydrophobicContact CD1-CG1 4.23Å; L479-I483 HydrophobicContact CG-CD1 3.95Å; L479-I483 WeakPolarHBondContact O-CD1 3.19Å; L479-I483 VanDerWaalsContact O-CG1 3.23Å; L479-I483 WeakPolarHBondContact O-CG1 3.4Å; L479-I483 PolarHBondContact O-N 3.25Å; L480-I483 PolarHBondContact O-N 3.4Å; C481-I483 VanDerWaalsContact C-N 3.29Å; C481-I483 PolarHBondContact O-N 3.48Å; I483-W485 VanDerWaalsContact C-N 3.31Å; I483-W485 PolarHBondContact O-N 3Å; I483-M486 WeakPolarHBondContact O-CB 3.49Å; I483-M486 PolarHBondContact O-N 3.19Å; I483-I487 HydrophobicContact CG2-CD1 4.05Å; I483-I487 WeakPolarHBondContact O-CG1 3.45Å; I483-I487 PolarHBondContact O-N 3.15Å; I483-S528 WeakPolarHBondContact CG2-O 3.45Å; I483-H531 HydrophobicContact CD1-CB 3.73Å; I483-H531 HydrophobicContact CG1-CB 4.33Å; I483-F532 HydrophobicContact CG2-CB 3.71Å; I483-F532 HydrophobicContact CG2-CD2 4.24Å; I483-F532 HydrophobicContact CG2-CG 4.49Å; I483-V535 HydrophobicContact CD1-CB 4.36Å; I483-V535 HydrophobicContact CD1-CG2 4.04Å
484	C	98.1	Very high	97.2	Very high	57 Å²	57	30.8 Å²	30.8	39%	0.385	15%	0.151	S	C	.	.	H	α-helix	trans	-59.6	-42.4	173.6	-67.3	0	0	0	0	111.9	L480 C481 M486 I487 Y488	L480-C484 PolarHBondContact O-N 3.34Å; L480-C484 PolarHBondContact O-SG 2.9Å; L480-C484 VanDerWaalsContact O-SG 3.32Å; C481-C484 WeakPolarHBondContact O-CB 3.26Å; C481-C484 PolarHBondContact O-N 3.47Å; C484-M486 VanDerWaalsContact C-N 3.35Å; C484-I487 PolarHBondContact O-N 3.45Å; C484-Y488 WeakPolarHBondContact O-CB 3.39Å; C484-Y488 PolarHBondContact O-N 3.13Å
485	W	98.1	Very high	96.9	Very high	64 Å²	64	38.8 Å²	38.8	24%	0.242	18%	0.183	C	C	.	.	H	α-helix	trans	-59.2	-47.3	173.5	-77.3	118.5	0	0	0	111.1	W364 V377 P380 F381 C481 M482 I483 I487 Y488 G489	W364-W485 HydrophobicContact CH2-CB 3.81Å; W364-W485 HydrophobicContact CH2-CE3 4.21Å; W364-W485 HydrophobicContact CH2-CG 4.42Å; W364-W485 HydrophobicContact CZ3-CB 3.82Å; W364-W485 VanDerWaalsContact CZ3-O 3.31Å; W364-W485 WeakPolarHBondContact CZ3-O 3.33Å; V377-W485 HydrophobicContact CG1-CE3 4.23Å; V377-W485 HydrophobicContact CG1-CZ3 3.97Å; P380-W485 HydrophobicContact CB-CH2 4.17Å; P380-W485 HydrophobicContact CB-CZ2 3.66Å; F381-W485 HydrophobicContact CD2-CB 3.72Å; F381-W485 AromaticContact CD2-CG 3.96Å; F381-W485 HydrophobicContact CD2-CG 3.96Å; F381-W485 HydrophobicContact CE2-CB 4.26Å; C481-W485 PolarHBondContact O-N 2.92Å; M482-W485 WeakPolarHBondContact O-CB 3.37Å; M482-W485 PolarHBondContact O-N 3.43Å; I483-W485 VanDerWaalsContact C-N 3.31Å; I483-W485 PolarHBondContact O-N 3Å; W485-I487 VanDerWaalsContact C-N 3.32Å; W485-I487 PolarHBondContact O-N 3.3Å; W485-Y488 HydrophobicContact CE3-CD1 4.14Å; W485-Y488 HydrophobicContact CZ3-CD1 4.24Å; W485-Y488 WeakPolarHBondContact O-CB 3.5Å; W485-Y488 PolarHBondContact O-N 3.34Å; W485-Y488 VanDerWaalsContact O-N 3.13Å; W485-G489 PolarHBondContact O-N 2.81Å
486	M	97.9	Very high	96.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-58	-43.9	178.5	-176.1	53	58.2	0	0	112.4	M360 W364 F368 M482 I483 C484 G489 C490 S528	M360-M486 VanDerWaalsContact C-CE 3.5Å; M360-M486 HydrophobicContact CB-CE 3.67Å; M360-M486 HydrophobicContact CG-CE 4.09Å; M360-M486 HydrophobicContact CG-CG 4.22Å; M360-M486 WeakPolarHBondContact O-CE 3.47Å; W364-M486 HydrophobicContact CB-CE 4.38Å; W364-M486 HydrophobicContact CE3-CE 4.01Å; F368-M486 HydrophobicContact CE2-CE 4.36Å; F368-M486 HydrophobicContact CE2-SD 3.67Å; F368-M486 HydrophobicContact CZ-SD 4.3Å; M482-M486 PolarHBondContact O-N 2.91Å; I483-M486 WeakPolarHBondContact O-CB 3.49Å; I483-M486 PolarHBondContact O-N 3.19Å; C484-M486 VanDerWaalsContact C-N 3.35Å; M486-G489 PolarHBondContact O-N 2.91Å; M486-C490 PolarHBondContact O-N 3.4Å; M486-C490 PolarHBondContact O-SG 3.49Å; M486-S528 WeakPolarHBondContact CG-OG 3.17Å
487	I	98.1	Very high	96.3	Very high	29 Å²	29	47.1 Å²	47.1	15%	0.149	22%	0.223	C	C	.	.	H	α-helix	trans	-59.6	-47	174.6	-72.1	165.3	0	0	0	110.8	I483 C484 W485 G489 C490 I491 F525 I529 F532	I483-I487 HydrophobicContact CG2-CD1 4.05Å; I483-I487 WeakPolarHBondContact O-CG1 3.45Å; I483-I487 PolarHBondContact O-N 3.15Å; C484-I487 PolarHBondContact O-N 3.45Å; W485-I487 VanDerWaalsContact C-N 3.32Å; W485-I487 PolarHBondContact O-N 3.3Å; I487-G489 VanDerWaalsContact C-N 3.34Å; I487-G489 PolarHBondContact O-N 2.84Å; I487-C490 PolarHBondContact O-N 2.93Å; I487-I491 HydrophobicContact CG2-CD1 3.84Å; I487-I491 WeakPolarHBondContact O-CG1 3.2Å; I487-I491 PolarHBondContact O-N 2.84Å; I487-F525 HydrophobicContact CG2-CE2 3.97Å; I487-I529 HydrophobicContact CD1-CD1 3.75Å; I487-I529 HydrophobicContact CG1-CD1 4.19Å; I487-F532 HydrophobicContact CD1-CB 4.37Å; I487-F532 HydrophobicContact CD1-CD2 4.44Å
488	Y	97.6	Very high	96	Very high	103 Å²	103	42.8 Å²	42.8	40%	0.404	21%	0.205	S	C	.	.	H	α-helix	trans	-60.1	-41.9	176.6	171.6	-96.6	0	0	0	112.4	L372 V377 C484 W485 I491 S492	L372-Y488 HydrophobicContact CD1-CE1 4.46Å; L372-Y488 HydrophobicContact CD2-CE1 4.49Å; V377-Y488 HydrophobicContact CG1-CD1 4.42Å; V377-Y488 HydrophobicContact CG1-CE1 4.01Å; V377-Y488 HydrophobicContact CG2-CE1 3.96Å; C484-Y488 WeakPolarHBondContact O-CB 3.39Å; C484-Y488 PolarHBondContact O-N 3.13Å; W485-Y488 HydrophobicContact CE3-CD1 4.14Å; W485-Y488 HydrophobicContact CZ3-CD1 4.24Å; W485-Y488 WeakPolarHBondContact O-CB 3.5Å; W485-Y488 PolarHBondContact O-N 3.34Å; W485-Y488 VanDerWaalsContact O-N 3.13Å; Y488-I491 PolarHBondContact O-N 3.38Å; Y488-S492 WeakPolarHBondContact O-CB 3.41Å; Y488-S492 PolarHBondContact O-N 3.3Å; Y488-S492 PolarHBondContact O-OG 3.31Å
489	G	97.1	Very high	95.3	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.5	-47.1	176.1	0	0	0	0	0	112.3	F368 W485 M486 I487 I491 S492 Y493	F368-G489 VanDerWaalsContact CZ-C 3.47Å; W485-G489 PolarHBondContact O-N 2.81Å; M486-G489 PolarHBondContact O-N 2.91Å; I487-G489 VanDerWaalsContact C-N 3.34Å; I487-G489 PolarHBondContact O-N 2.84Å; G489-I491 PolarHBondContact O-N 3.04Å; G489-S492 PolarHBondContact O-N 3.41Å; G489-Y493 WeakPolarHBondContact O-CB 3.49Å; G489-Y493 PolarHBondContact O-N 3.37Å
490	C	96.4	Very high	94.5	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-60.3	-46.7	177.2	-61.9	0	0	0	0	112	M486 I487 S492 Y493 W494 I521 F525	M486-C490 PolarHBondContact O-N 3.4Å; M486-C490 PolarHBondContact O-SG 3.49Å; I487-C490 PolarHBondContact O-N 2.93Å; C490-S492 VanDerWaalsContact C-N 3.33Å; C490-S492 PolarHBondContact O-N 3Å; C490-Y493 PolarHBondContact O-N 2.89Å; C490-W494 HydrophobicContact CB-CH2 4.23Å; C490-W494 HydrophobicContact CB-CZ2 4.49Å; C490-W494 HydrophobicContact CB-CZ3 4.33Å; C490-W494 VanDerWaalsContact O-CD2 3.29Å; C490-W494 PolarHBondContact O-N 3.27Å; C490-W494 VanDerWaalsContact O-N 3.11Å; C490-I521 HydrophobicContact CB-CG2 3.87Å; C490-F525 HydrophobicContact CB-CB 4.07Å; C490-F525 HydrophobicContact CB-CD2 3.93Å; C490-F525 HydrophobicContact CB-CG 4.46Å
491	I	94.8	Very high	93.7	Very high	80 Å²	80	46.8 Å²	46.8	41%	0.41	25%	0.248	S	C	.	.	H	α-helix	trans	-62.9	-41.9	179	-67	168.2	0	0	0	111	I487 Y488 G489 W494 K495 F525	I487-I491 HydrophobicContact CG2-CD1 3.84Å; I487-I491 WeakPolarHBondContact O-CG1 3.2Å; I487-I491 PolarHBondContact O-N 2.84Å; Y488-I491 PolarHBondContact O-N 3.38Å; G489-I491 PolarHBondContact O-N 3.04Å; I491-W494 HydrophobicContact CG1-CE3 4.49Å; I491-W494 HydrophobicContact CG1-CZ3 4.36Å; I491-W494 PolarHBondContact O-N 2.79Å; I491-K495 PolarHBondContact O-N 3.39Å; I491-K495 VanDerWaalsContact O-N 3.13Å; I491-F525 HydrophobicContact CD1-CE2 4.47Å; I491-F525 HydrophobicContact CG1-CE2 4.32Å
492	S	95.2	Very high	93	Very high	15 Å²	15	51.7 Å²	51.7	11%	0.105	26%	0.262	C	S	.	.	H	α-helix	trans	-66.2	-42.8	179.1	-58.2	0	0	0	0	111.4	Y488 G489 C490 W494 K495 M496	Y488-S492 WeakPolarHBondContact O-CB 3.41Å; Y488-S492 PolarHBondContact O-N 3.3Å; Y488-S492 PolarHBondContact O-OG 3.31Å; G489-S492 PolarHBondContact O-N 3.41Å; C490-S492 VanDerWaalsContact C-N 3.33Å; C490-S492 PolarHBondContact O-N 3Å; S492-W494 PolarHBondContact O-N 3.33Å; S492-K495 WeakPolarHBondContact O-CB 3.39Å; S492-K495 PolarHBondContact O-N 2.92Å; S492-M496 VanDerWaalsContact O-CE 3.28Å; S492-M496 WeakPolarHBondContact O-CE 3.29Å; S492-M496 WeakPolarHBondContact O-CG 3.21Å; S492-M496 PolarHBondContact O-N 3.42Å; S492-M496 VanDerWaalsContact O-N 3.16Å
493	Y	95.3	Very high	92.2	Very high	37 Å²	37	56.5 Å²	56.5	15%	0.145	30%	0.302	C	S	.	.	H	α-helix	trans	-56.2	-49.9	175.6	-178.8	-86.8	0	0	0	111.6	W367 F368 G489 C490 K495 M496 H497 I521	W367-Y493 HydrophobicContact CB-CD2 4.31Å; W367-Y493 HydrophobicContact CB-CE2 4.21Å; W367-Y493 AromaticContact CD1-CE2 3.74Å; W367-Y493 AromaticContact CD1-CZ 3.91Å; W367-Y493 HydrophobicContact CG-CE2 4.4Å; F368-Y493 HydrophobicContact CD1-CD2 4.21Å; F368-Y493 HydrophobicContact CE1-CD2 4.23Å; F368-Y493 HydrophobicContact CE1-CG 4.18Å; G489-Y493 WeakPolarHBondContact O-CB 3.49Å; G489-Y493 PolarHBondContact O-N 3.37Å; C490-Y493 PolarHBondContact O-N 2.89Å; Y493-K495 VanDerWaalsContact C-N 3.3Å; Y493-K495 PolarHBondContact O-N 3.3Å; Y493-M496 PolarHBondContact O-N 2.86Å; Y493-M496 VanDerWaalsContact O-N 3.1Å; Y493-H497 AromaticContact CD2-CD2 3.54Å; Y493-H497 HydrophobicContact CE1-CB 4.14Å; Y493-H497 AromaticContact CE2-CD2 3.5Å; Y493-H497 AromaticContact CZ-CD2 3.94Å; Y493-H497 PolarHBondContact O-CD2 2.92Å; Y493-H497 PolarHBondContact O-N 3.34Å; Y493-I521 HydrophobicContact CD1-CB 4.33Å; Y493-I521 HydrophobicContact CD1-CG1 3.88Å; Y493-I521 HydrophobicContact CD1-CG2 4.12Å; Y493-I521 HydrophobicContact CE1-CG1 3.89Å; Y493-I521 HydrophobicContact CG-CG1 4.29Å
494	W	93.7	Very high	91.5	Very high	4 Å²	4	65.2 Å²	65.2	2%	0.015	34%	0.34	C	S	.	.	H	α-helix	trans	-62.3	-36.8	178.3	-64.1	-39.5	0	0	0	113.1	C490 I491 S492 M496 C498 I514 I521 F522 F525	C490-W494 HydrophobicContact CB-CH2 4.23Å; C490-W494 HydrophobicContact CB-CZ2 4.49Å; C490-W494 HydrophobicContact CB-CZ3 4.33Å; C490-W494 VanDerWaalsContact O-CD2 3.29Å; C490-W494 PolarHBondContact O-N 3.27Å; C490-W494 VanDerWaalsContact O-N 3.11Å; I491-W494 HydrophobicContact CG1-CE3 4.49Å; I491-W494 HydrophobicContact CG1-CZ3 4.36Å; I491-W494 PolarHBondContact O-N 2.79Å; S492-W494 PolarHBondContact O-N 3.33Å; W494-M496 PolarHBondContact O-N 2.88Å; W494-C498 HydrophobicContact CB-CB 4.41Å; W494-C498 VanDerWaalsContact CD1-SG 3.56Å; W494-C498 WeakPolarHBondContact O-CA 3.48Å; W494-C498 VanDerWaalsContact O-CB 3.26Å; W494-C498 WeakPolarHBondContact O-CB 3.46Å; W494-C498 PolarHBondContact O-N 3.46Å; W494-I514 HydrophobicContact CB-CG2 4.25Å; W494-I514 HydrophobicContact CD2-CB 3.96Å; W494-I514 HydrophobicContact CD2-CD1 4.42Å; W494-I514 HydrophobicContact CD2-CG2 4.05Å; W494-I514 HydrophobicContact CE3-CB 4.46Å; W494-I514 HydrophobicContact CE3-CD1 4.12Å; W494-I514 HydrophobicContact CE3-CG2 4.38Å; W494-I514 HydrophobicContact CG-CB 4.16Å; W494-I514 HydrophobicContact CG-CG2 4Å; W494-I514 HydrophobicContact CH2-CD1 3.91Å; W494-I514 HydrophobicContact CZ2-CB 4.35Å; W494-I514 HydrophobicContact CZ2-CD1 4.21Å; W494-I514 HydrophobicContact CZ2-CG1 4.49Å; W494-I514 HydrophobicContact CZ3-CD1 3.87Å; W494-I521 HydrophobicContact CZ2-CG2 3.92Å; W494-F522 HydrophobicContact CH2-CD2 4.3Å; W494-F522 HydrophobicContact CZ2-CB 4.21Å; W494-F522 HydrophobicContact CZ2-CD2 4.1Å; W494-F525 HydrophobicContact CH2-CB 3.6Å; W494-F525 AromaticContact CH2-CD1 3.87Å; W494-F525 HydrophobicContact CH2-CD1 3.87Å; W494-F525 AromaticContact CH2-CD2 3.8Å; W494-F525 HydrophobicContact CH2-CD2 3.8Å; W494-F525 HydrophobicContact CH2-CE1 4.47Å; W494-F525 HydrophobicContact CH2-CE2 4.39Å; W494-F525 AromaticContact CH2-CG 3.49Å; W494-F525 HydrophobicContact CH2-CG 3.49Å; W494-F525 VanDerWaalsContact CH2-CG 3.49Å; W494-F525 HydrophobicContact CZ2-CB 4.16Å; W494-F525 HydrophobicContact CZ2-CG 4.49Å; W494-F525 HydrophobicContact CZ3-CD1 4.49Å; W494-F525 AromaticContact CZ3-CD2 3.97Å; W494-F525 HydrophobicContact CZ3-CD2 3.97Å; W494-F525 HydrophobicContact CZ3-CE2 4.2Å; W494-F525 HydrophobicContact CZ3-CG 4.11Å
495	K	91.2	Very high	90.7	Very high	181 Å²	181	64.9 Å²	64.9	79%	0.787	33%	0.334	S	S	*	.	H	α-helix	trans	-62.6	-32.5	176.3	-176.2	-178.6	175.3	-174.6	0	112.6	I491 S492 Y493	I491-K495 PolarHBondContact O-N 3.39Å; I491-K495 VanDerWaalsContact O-N 3.13Å; S492-K495 WeakPolarHBondContact O-CB 3.39Å; S492-K495 PolarHBondContact O-N 2.92Å; Y493-K495 VanDerWaalsContact C-N 3.3Å; Y493-K495 PolarHBondContact O-N 3.3Å
496	M	91.8	Very high	90.2	Very high	91 Å²	91	63.4 Å²	63.4	45%	0.448	34%	0.339	S	S	.	.	H	α-helix	trans	-90.6	-36.2	-176	-68.2	-178.2	-70	0	0	113	D371 L372 S492 Y493 W494	D371-M496 HydrophobicContact CB-CE 3.35Å; D371-M496 HydrophobicContact CB-SD 3.91Å; L372-M496 HydrophobicContact CD2-CE 3.97Å; S492-M496 VanDerWaalsContact O-CE 3.28Å; S492-M496 WeakPolarHBondContact O-CE 3.29Å; S492-M496 WeakPolarHBondContact O-CG 3.21Å; S492-M496 PolarHBondContact O-N 3.42Å; S492-M496 VanDerWaalsContact O-N 3.16Å; Y493-M496 PolarHBondContact O-N 2.86Å; Y493-M496 VanDerWaalsContact O-N 3.1Å; W494-M496 PolarHBondContact O-N 2.88Å
497	H	91.4	Very high	89.8	Confident	96 Å²	96	68.5 Å²	68.5	44%	0.444	36%	0.361	S	S	.	.	H	α-helix	trans	-111.7	-15.6	-169.3	-64.7	-72.8	0	0	0	114.7	D371 Y493	D371-H497 VanDerWaalsContact CG-NE2 3.34Å; D371-H497 IonicContact OD1-CE1 3.54Å; D371-H497 IonicContact OD1-NE2 3.79Å; D371-H497 IonicContact OD2-CD2 3.41Å; D371-H497 IonicContact OD2-CE1 3.67Å; D371-H497 IonicContact OD2-NE2 2.85Å; D371-H497 PolarHBondContact OD2-NE2 3.27Å; Y493-H497 AromaticContact CD2-CD2 3.54Å; Y493-H497 HydrophobicContact CE1-CB 4.14Å; Y493-H497 AromaticContact CE2-CD2 3.5Å; Y493-H497 AromaticContact CZ-CD2 3.94Å; Y493-H497 PolarHBondContact O-CD2 2.92Å; Y493-H497 PolarHBondContact O-N 3.34Å
498	C	90.6	Very high	89.3	Confident	11 Å²	11	76.4 Å²	76.4	7%	0.074	39%	0.39	C	S	.	.	S	Bend	trans	-112.2	128.3	-176.2	-54.4	0	0	0	0	111.6	W494 T500 C517	W494-C498 HydrophobicContact CB-CB 4.41Å; W494-C498 VanDerWaalsContact CD1-SG 3.56Å; W494-C498 WeakPolarHBondContact O-CA 3.48Å; W494-C498 VanDerWaalsContact O-CB 3.26Å; W494-C498 WeakPolarHBondContact O-CB 3.46Å; W494-C498 PolarHBondContact O-N 3.46Å; C498-T500 HydrophobicContact CB-CG2 3.83Å; C498-T500 PolarHBondContact O-N 3.41Å; C498-C517 WeakPolarHBondContact CA-SG 3.35Å; C498-C517 HydrophobicContact CB-CB 3.72Å; C498-C517 WeakPolarHBondContact CB-SG 3.33Å; C498-C517 WeakPolarHBondContact SG-CB 3.31Å; C498-C517 CovalentContact SG-SG 2.02Å; C498-C517 PolarHBondContact SG-SG 2.96Å
499	A	84.6	Confident	88.9	Confident	105 Å²	105	75.6 Å²	75.6	87%	0.868	39%	0.392	S	S	*	.			trans	-73.6	74.5	173.5	0	0	0	0	0	110.8
500	T	81	Confident	88.5	Confident	33 Å²	33	78.1 Å²	78.1	20%	0.202	40%	0.402	C	S	.	.			trans	-123.7	142.5	-177.2	62.2	0	0	0	0	111.3	C498 Y510 Q513 I514	C498-T500 HydrophobicContact CB-CG2 3.83Å; C498-T500 PolarHBondContact O-N 3.41Å; T500-Y510 WeakPolarHBondContact OG1-CE2 3.1Å; T500-Q513 HydrophobicContact CG2-CB 3.58Å; T500-Q513 HydrophobicContact CG2-CG 4.49Å; T500-I514 HydrophobicContact CG2-CG2 3.92Å
501	S	81.9	Confident	88.1	Confident	40 Å²	40	80.5 Å²	80.5	28%	0.28	41%	0.414	S	S	.	.			trans	-141.8	94.1	178.1	172	0	0	0	0	111.7	A503 K504 D505	S501-A503 PolarHBondContact O-N 3.25Å; S501-A503 VanDerWaalsContact O-N 3.11Å; S501-K504 PolarHBondContact O-N 2.84Å; S501-K504 WeakPolarHBondContact OG-CG 3.46Å; S501-D505 PolarHBondContact N-OD2 2.86Å; S501-D505 VanDerWaalsContact N-OD2 3.14Å; S501-D505 WeakPolarHBondContact O-CB 3.32Å; S501-D505 PolarHBondContact O-N 3.05Å
502	Y	82.4	Confident	87.8	Confident	139 Å²	139	80.4 Å²	80.4	55%	0.545	42%	0.417	S	S	.	.	H	α-helix	trans	-51	-40.6	179.5	-174.3	-96	0	0	0	113.8	K504 G506 F507 Y510	Y502-K504 PolarHBondContact O-N 3.48Å; Y502-G506 PolarHBondContact O-N 3.38Å; Y502-G506 VanDerWaalsContact O-N 3.12Å; Y502-F507 HydrophobicContact CE2-CB 4.15Å; Y502-F507 HydrophobicContact CE2-CD2 4.25Å; Y502-Y510 HydrophobicContact CD2-CD1 4.05Å; Y502-Y510 HydrophobicContact CD2-CD2 4.44Å; Y502-Y510 AromaticContact CD2-CG 3.92Å; Y502-Y510 HydrophobicContact CD2-CG 3.92Å
503	A	81.5	Confident	87.5	Confident	102 Å²	102	82.1 Å²	82.1	84%	0.843	42%	0.424	S	S	*	.	H	α-helix	trans	-66.9	-21.9	-179.2	0	0	0	0	0	114.2	S501	S501-A503 PolarHBondContact O-N 3.25Å; S501-A503 VanDerWaalsContact O-N 3.11Å
504	K	82.3	Confident	87.4	Confident	182 Å²	182	80.6 Å²	80.6	79%	0.791	42%	0.418	S	S	*	.	H	α-helix	trans	-102.3	-38.7	-179.8	-66.9	-178.3	-179.9	-179.7	0	111.9	S501 Y502	S501-K504 PolarHBondContact O-N 2.84Å; S501-K504 WeakPolarHBondContact OG-CG 3.46Å; Y502-K504 PolarHBondContact O-N 3.48Å
505	D	82.6	Confident	87.2	Confident	50 Å²	50	81.6 Å²	81.6	27%	0.267	43%	0.427	S	S	.	.	H	α-helix	trans	-94.3	-20.5	-166.5	-61	-28.4	0	0	0	112.6	S501 L509 Q513	S501-D505 PolarHBondContact N-OD2 2.86Å; S501-D505 VanDerWaalsContact N-OD2 3.14Å; S501-D505 WeakPolarHBondContact O-CB 3.32Å; S501-D505 PolarHBondContact O-N 3.05Å; D505-L509 HydrophobicContact CB-CB 4.04Å; D505-L509 HydrophobicContact CB-CD2 3.8Å; D505-L509 HydrophobicContact CB-CG 3.98Å; D505-L509 WeakPolarHBondContact O-CB 3.37Å; D505-Q513 PolarHBondContact OD2-NE2 3.12Å; D505-Q513 PolarHBondContact OD2-OE1 2.95Å; D505-Q513 VanDerWaalsContact OD2-OE1 3.11Å
506	G	87.4	Confident	87.1	Confident	33 Å²	33	77.4 Å²	77.4	34%	0.34	42%	0.42	S	S	.	.	H	α-helix	trans	70	175.3	-172.7	0	0	0	0	0	112.7	Y502 Y510	Y502-G506 PolarHBondContact O-N 3.38Å; Y502-G506 VanDerWaalsContact O-N 3.12Å; G506-Y510 WeakPolarHBondContact O-CB 3.32Å; G506-Y510 PolarHBondContact O-N 3.31Å; G506-Y510 VanDerWaalsContact O-N 3.07Å
507	F	88	Confident	87.1	Confident	107 Å²	107	75.8 Å²	75.8	47%	0.469	42%	0.417	S	S	.	.	H	α-helix	trans	-62	-50.4	-168.2	175.4	-99.4	0	0	0	114.3	Y502 Y510 L511	Y502-F507 HydrophobicContact CE2-CB 4.15Å; Y502-F507 HydrophobicContact CE2-CD2 4.25Å; F507-Y510 PolarHBondContact O-N 2.98Å; F507-L511 HydrophobicContact CE1-CD2 4.28Å; F507-L511 HydrophobicContact CZ-CD2 4.31Å; F507-L511 WeakPolarHBondContact O-CB 3.48Å; F507-L511 PolarHBondContact O-N 3.32Å
508	W	89.4	Confident	87.1	Confident	196 Å²	196	71.5 Å²	71.5	74%	0.742	40%	0.398	S	S	*	.	H	α-helix	trans	-68.2	-40.2	-172.6	-66.5	113.2	0	0	0	112.8	L511 T512	W508-L511 HydrophobicContact CE3-CD2 4.37Å; W508-L511 HydrophobicContact CZ3-CD2 4.4Å; W508-L511 PolarHBondContact O-N 2.97Å; W508-T512 WeakPolarHBondContact O-CG2 3.42Å; W508-T512 PolarHBondContact O-N 2.8Å; W508-T512 VanDerWaalsContact O-N 3.1Å; W508-T512 PolarHBondContact O-OG1 2.96Å
509	L	88.2	Confident	87.3	Confident	86 Å²	86	72.2 Å²	72.2	45%	0.45	40%	0.403	S	S	.	.	H	α-helix	trans	-73	-38.2	178.1	-174.4	60.6	0	0	0	111.2	D505 L511 T512 Q513	D505-L509 HydrophobicContact CB-CB 4.04Å; D505-L509 HydrophobicContact CB-CD2 3.8Å; D505-L509 HydrophobicContact CB-CG 3.98Å; D505-L509 WeakPolarHBondContact O-CB 3.37Å; L509-L511 VanDerWaalsContact C-N 3.29Å; L509-L511 PolarHBondContact O-N 3.44Å; L509-T512 PolarHBondContact O-N 2.93Å; L509-T512 PolarHBondContact O-OG1 3.23Å; L509-Q513 HydrophobicContact CG-CG 4.46Å; L509-Q513 WeakPolarHBondContact O-CB 3.31Å; L509-Q513 WeakPolarHBondContact O-CG 3.24Å; L509-Q513 PolarHBondContact O-N 3.42Å
510	Y	88.3	Confident	87.8	Confident	53 Å²	53	67.7 Å²	67.7	21%	0.208	36%	0.363	C	S	.	.	H	α-helix	trans	-58.4	-43.8	171.7	-179.1	-97.2	0	0	0	111.5	T500 Y502 G506 F507 Q513 I514	T500-Y510 WeakPolarHBondContact OG1-CE2 3.1Å; Y502-Y510 HydrophobicContact CD2-CD1 4.05Å; Y502-Y510 HydrophobicContact CD2-CD2 4.44Å; Y502-Y510 AromaticContact CD2-CG 3.92Å; Y502-Y510 HydrophobicContact CD2-CG 3.92Å; G506-Y510 WeakPolarHBondContact O-CB 3.32Å; G506-Y510 PolarHBondContact O-N 3.31Å; G506-Y510 VanDerWaalsContact O-N 3.07Å; F507-Y510 PolarHBondContact O-N 2.98Å; Y510-Q513 PolarHBondContact O-N 3.05Å; Y510-I514 HydrophobicContact CD1-CD1 4.35Å; Y510-I514 HydrophobicContact CD1-CG2 4.49Å; Y510-I514 HydrophobicContact CE1-CD1 4Å; Y510-I514 HydrophobicContact CE1-CG2 4.06Å; Y510-I514 HydrophobicContact CE2-CG2 4.22Å; Y510-I514 WeakPolarHBondContact O-CG1 3.19Å; Y510-I514 PolarHBondContact O-N 3.37Å
511	L	89.1	Confident	88.5	Confident	50 Å²	50	66.1 Å²	66.1	26%	0.262	35%	0.354	S	S	.	.	H	α-helix	trans	-63.4	-43.4	179.2	-174	65	0	0	0	112.5	F507 W508 L509 I514 A515 F522	F507-L511 HydrophobicContact CE1-CD2 4.28Å; F507-L511 HydrophobicContact CZ-CD2 4.31Å; F507-L511 WeakPolarHBondContact O-CB 3.48Å; F507-L511 PolarHBondContact O-N 3.32Å; W508-L511 HydrophobicContact CE3-CD2 4.37Å; W508-L511 HydrophobicContact CZ3-CD2 4.4Å; W508-L511 PolarHBondContact O-N 2.97Å; L509-L511 VanDerWaalsContact C-N 3.29Å; L509-L511 PolarHBondContact O-N 3.44Å; L511-I514 HydrophobicContact CD1-CD1 4.2Å; L511-I514 VanDerWaalsContact O-CG1 3.28Å; L511-I514 WeakPolarHBondContact O-CG1 3.49Å; L511-A515 VanDerWaalsContact O-CB 3.3Å; L511-A515 WeakPolarHBondContact O-CB 3.33Å; L511-A515 PolarHBondContact O-N 3.39Å; L511-A515 VanDerWaalsContact O-N 3.15Å; L511-F522 HydrophobicContact CD1-CE2 3.6Å; L511-F522 HydrophobicContact CD1-CZ 3.86Å
512	T	88.3	Confident	89.2	Confident	78 Å²	78	66 Å²	66	48%	0.479	35%	0.348	S	S	.	.	H	α-helix	trans	-69.1	-37.1	177.3	55.1	0	0	0	0	111.8	W508 L509 A515 S516	W508-T512 WeakPolarHBondContact O-CG2 3.42Å; W508-T512 PolarHBondContact O-N 2.8Å; W508-T512 VanDerWaalsContact O-N 3.1Å; W508-T512 PolarHBondContact O-OG1 2.96Å; L509-T512 PolarHBondContact O-N 2.93Å; L509-T512 PolarHBondContact O-OG1 3.23Å; T512-A515 PolarHBondContact O-N 2.82Å; T512-S516 WeakPolarHBondContact O-CB 3.33Å; T512-S516 PolarHBondContact O-N 3.25Å; T512-S516 PolarHBondContact O-OG 2.91Å
513	Q	89.3	Confident	89.8	Confident	50 Å²	50	62.4 Å²	62.4	23%	0.234	33%	0.334	C	S	.	.	H	α-helix	trans	-64	-46.2	177	-72.8	168.6	-12.8	0	0	112.4	T500 D505 L509 Y510 A515 S516 C517	T500-Q513 HydrophobicContact CG2-CB 3.58Å; T500-Q513 HydrophobicContact CG2-CG 4.49Å; D505-Q513 PolarHBondContact OD2-NE2 3.12Å; D505-Q513 PolarHBondContact OD2-OE1 2.95Å; D505-Q513 VanDerWaalsContact OD2-OE1 3.11Å; L509-Q513 HydrophobicContact CG-CG 4.46Å; L509-Q513 WeakPolarHBondContact O-CB 3.31Å; L509-Q513 WeakPolarHBondContact O-CG 3.24Å; L509-Q513 PolarHBondContact O-N 3.42Å; Y510-Q513 PolarHBondContact O-N 3.05Å; Q513-A515 VanDerWaalsContact C-N 3.33Å; Q513-A515 PolarHBondContact O-N 3.35Å; Q513-S516 PolarHBondContact O-N 3.41Å; Q513-C517 WeakPolarHBondContact O-CB 3.36Å; Q513-C517 PolarHBondContact O-N 3.22Å
514	I	91.6	Very high	90.6	Very high	6 Å²	6	57.7 Å²	57.7	3%	0.031	29%	0.294	C	S	.	.	H	α-helix	trans	-67.9	-35	178.5	64.7	179.1	0	0	0	112	W494 T500 Y510 L511 S518 F522	W494-I514 HydrophobicContact CB-CG2 4.25Å; W494-I514 HydrophobicContact CD2-CB 3.96Å; W494-I514 HydrophobicContact CD2-CD1 4.42Å; W494-I514 HydrophobicContact CD2-CG2 4.05Å; W494-I514 HydrophobicContact CE3-CB 4.46Å; W494-I514 HydrophobicContact CE3-CD1 4.12Å; W494-I514 HydrophobicContact CE3-CG2 4.38Å; W494-I514 HydrophobicContact CG-CB 4.16Å; W494-I514 HydrophobicContact CG-CG2 4Å; W494-I514 HydrophobicContact CH2-CD1 3.91Å; W494-I514 HydrophobicContact CZ2-CB 4.35Å; W494-I514 HydrophobicContact CZ2-CD1 4.21Å; W494-I514 HydrophobicContact CZ2-CG1 4.49Å; W494-I514 HydrophobicContact CZ3-CD1 3.87Å; T500-I514 HydrophobicContact CG2-CG2 3.92Å; Y510-I514 HydrophobicContact CD1-CD1 4.35Å; Y510-I514 HydrophobicContact CD1-CG2 4.49Å; Y510-I514 HydrophobicContact CE1-CD1 4Å; Y510-I514 HydrophobicContact CE1-CG2 4.06Å; Y510-I514 HydrophobicContact CE2-CG2 4.22Å; Y510-I514 WeakPolarHBondContact O-CG1 3.19Å; Y510-I514 PolarHBondContact O-N 3.37Å; L511-I514 HydrophobicContact CD1-CD1 4.2Å; L511-I514 VanDerWaalsContact O-CG1 3.28Å; L511-I514 WeakPolarHBondContact O-CG1 3.49Å; I514-S518 PolarHBondContact O-N 3.27Å; I514-F522 HydrophobicContact CD1-CD2 4.26Å; I514-F522 HydrophobicContact CD1-CE2 4.31Å; I514-F522 HydrophobicContact CG1-CD2 4.15Å; I514-F522 HydrophobicContact CG1-CE2 4.38Å
515	A	90.8	Very high	91.3	Very high	24 Å²	24	51 Å²	51	20%	0.198	27%	0.265	C	S	.	.	H	α-helix	trans	-67.6	-37	176.6	0	0	0	0	0	112.1	L511 T512 Q513 P519 F522	L511-A515 VanDerWaalsContact O-CB 3.3Å; L511-A515 WeakPolarHBondContact O-CB 3.33Å; L511-A515 PolarHBondContact O-N 3.39Å; L511-A515 VanDerWaalsContact O-N 3.15Å; T512-A515 PolarHBondContact O-N 2.82Å; Q513-A515 VanDerWaalsContact C-N 3.33Å; Q513-A515 PolarHBondContact O-N 3.35Å; A515-P519 WeakPolarHBondContact O-CA 3.39Å; A515-P519 WeakPolarHBondContact O-CD 3.47Å; A515-P519 WeakPolarHBondContact O-CG 3.46Å; A515-F522 HydrophobicContact CB-CB 4.5Å; A515-F522 HydrophobicContact CB-CD1 3.64Å; A515-F522 HydrophobicContact CB-CD2 4.22Å; A515-F522 HydrophobicContact CB-CE1 3.8Å; A515-F522 HydrophobicContact CB-CE2 4.38Å; A515-F522 HydrophobicContact CB-CG 3.86Å; A515-F522 HydrophobicContact CB-CZ 4.18Å
516	S	89.1	Confident	91.9	Very high	93 Å²	93	52.3 Å²	52.3	65%	0.65	27%	0.272	S	S	*	.	H	α-helix	trans	-81.1	-31.1	177.2	-61.4	0	0	0	0	113.3	T512 Q513	T512-S516 WeakPolarHBondContact O-CB 3.33Å; T512-S516 PolarHBondContact O-N 3.25Å; T512-S516 PolarHBondContact O-OG 2.91Å; Q513-S516 PolarHBondContact O-N 3.41Å
517	C	90.9	Very high	92.3	Very high	57 Å²	57	51.7 Å²	51.7	39%	0.385	26%	0.261	S	S	.	.	H	α-helix	trans	-66.9	-43.6	-179.4	175.6	0	0	0	0	112.4	C498 Q513	C498-C517 WeakPolarHBondContact CA-SG 3.35Å; C498-C517 HydrophobicContact CB-CB 3.72Å; C498-C517 WeakPolarHBondContact CB-SG 3.33Å; C498-C517 WeakPolarHBondContact SG-CB 3.31Å; C498-C517 CovalentContact SG-SG 2.02Å; C498-C517 PolarHBondContact SG-SG 2.96Å; Q513-C517 WeakPolarHBondContact O-CB 3.36Å; Q513-C517 PolarHBondContact O-N 3.22Å
518	S	92.6	Very high	92.7	Very high	6 Å²	6	46.6 Å²	46.6	4%	0.042	24%	0.238	C	C	.	.			trans	-148.8	91.1	171.8	-177.5	0	0	0	0	110	I514 W520 I521 F522	I514-S518 PolarHBondContact O-N 3.27Å; S518-W520 PolarHBondContact O-N 3.48Å; S518-I521 PolarHBondContact O-N 3.41Å; S518-I521 VanDerWaalsContact OG-CG1 3.28Å; S518-I521 WeakPolarHBondContact OG-CG1 3.14Å; S518-I521 PolarHBondContact OG-N 3.39Å; S518-F522 PolarHBondContact O-N 3.33Å
519	P	94.1	Very high	93.1	Very high	27 Å²	27	40.7 Å²	40.7	18%	0.175	22%	0.221	C	C	.	.	H	α-helix	trans	-54.4	-38.4	177	-26.7	32.9	0	0	0	113.2	A311 D312 A515 F522 W523	A311-P519 HydrophobicContact CB-CB 3.71Å; A311-P519 WeakPolarHBondContact O-CG 3.4Å; D312-P519 HydrophobicContact CB-CB 4.45Å; D312-P519 WeakPolarHBondContact OD1-CD 3.43Å; A515-P519 WeakPolarHBondContact O-CA 3.39Å; A515-P519 WeakPolarHBondContact O-CD 3.47Å; A515-P519 WeakPolarHBondContact O-CG 3.46Å; P519-F522 PolarHBondContact O-N 3.22Å; P519-W523 WeakPolarHBondContact O-CB 3.42Å; P519-W523 PolarHBondContact O-N 2.99Å
520	W	95.4	Very high	93.4	Very high	10 Å²	10	42.1 Å²	42.1	4%	0.038	22%	0.224	C	C	.	.	H	α-helix	trans	-60.8	-48.7	175.6	179	-95.9	0	0	0	113	W305 D312 W359 T363 W367 S518 F522 W523 M524	W305-W520 AromaticContact CD1-CH2 3.95Å; W305-W520 AromaticContact CD1-CZ3 3.97Å; D312-W520 HydrophobicContact CB-CB 4.49Å; D312-W520 PolarHBondContact OD1-N 2.97Å; W359-W520 HydrophobicContact CB-CZ2 4.43Å; W359-W520 HydrophobicContact CD2-CH2 4.08Å; W359-W520 HydrophobicContact CD2-CZ2 4.42Å; W359-W520 AromaticContact CE3-CH2 3.77Å; W359-W520 HydrophobicContact CE3-CH2 3.77Å; W359-W520 AromaticContact CE3-CZ2 3.88Å; W359-W520 HydrophobicContact CE3-CZ2 3.88Å; W359-W520 HydrophobicContact CG-CH2 4.42Å; W359-W520 HydrophobicContact CZ3-CH2 4.34Å; T363-W520 PolarHBondContact OG1-NE1 3.19Å; W367-W520 AromaticContact CE2-CD1 3.84Å; W367-W520 AromaticContact CH2-CD1 3.93Å; W367-W520 HydrophobicContact CH2-CG 4.48Å; W367-W520 AromaticContact CH2-NE1 3.81Å; W367-W520 AromaticContact CZ2-CD1 3.72Å; W367-W520 HydrophobicContact CZ2-CG 4.18Å; W367-W520 AromaticContact CZ3-NE1 3.84Å; S518-W520 PolarHBondContact O-N 3.48Å; W520-F522 VanDerWaalsContact C-N 3.32Å; W520-F522 PolarHBondContact O-N 2.87Å; W520-W523 WeakPolarHBondContact O-CB 3.47Å; W520-W523 PolarHBondContact O-N 2.88Å; W520-M524 HydrophobicContact CH2-CE 4.29Å; W520-M524 HydrophobicContact CZ2-CE 4.08Å; W520-M524 HydrophobicContact CZ2-CG 4.45Å; W520-M524 HydrophobicContact CZ2-SD 4.32Å; W520-M524 PolarHBondContact O-N 3.02Å
521	I	96	Very high	93.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-65.8	-38	179.4	-63.8	-58.3	0	0	0	110.9	T363 W367 F368 C490 Y493 W494 S518 W523 M524 F525	T363-I521 HydrophobicContact CG2-CD1 3.48Å; T363-I521 VanDerWaalsContact CG2-CD1 3.48Å; W367-I521 HydrophobicContact CB-CD1 3.87Å; W367-I521 HydrophobicContact CD2-CD1 4.31Å; W367-I521 HydrophobicContact CG-CD1 3.72Å; W367-I521 HydrophobicContact CG-CG1 4.45Å; F368-I521 HydrophobicContact CE1-CD1 3.72Å; F368-I521 HydrophobicContact CZ-CD1 3.99Å; C490-I521 HydrophobicContact CB-CG2 3.87Å; Y493-I521 HydrophobicContact CD1-CB 4.33Å; Y493-I521 HydrophobicContact CD1-CG1 3.88Å; Y493-I521 HydrophobicContact CD1-CG2 4.12Å; Y493-I521 HydrophobicContact CE1-CG1 3.89Å; Y493-I521 HydrophobicContact CG-CG1 4.29Å; W494-I521 HydrophobicContact CZ2-CG2 3.92Å; S518-I521 PolarHBondContact O-N 3.41Å; S518-I521 VanDerWaalsContact OG-CG1 3.28Å; S518-I521 WeakPolarHBondContact OG-CG1 3.14Å; S518-I521 PolarHBondContact OG-N 3.39Å; I521-W523 PolarHBondContact O-N 2.97Å; I521-M524 PolarHBondContact O-N 3.24Å; I521-F525 WeakPolarHBondContact O-CB 3.42Å; I521-F525 PolarHBondContact O-N 2.99Å
522	F	95.9	Very high	94.1	Very high	38 Å²	38	41.8 Å²	41.8	17%	0.167	22%	0.221	C	C	.	.	H	α-helix	trans	-61.6	-42.3	172.7	-173.8	-112	0	0	0	112.7	W494 L511 I514 A515 S518 P519 W520 M524 F525 L526	W494-F522 HydrophobicContact CH2-CD2 4.3Å; W494-F522 HydrophobicContact CZ2-CB 4.21Å; W494-F522 HydrophobicContact CZ2-CD2 4.1Å; L511-F522 HydrophobicContact CD1-CE2 3.6Å; L511-F522 HydrophobicContact CD1-CZ 3.86Å; I514-F522 HydrophobicContact CD1-CD2 4.26Å; I514-F522 HydrophobicContact CD1-CE2 4.31Å; I514-F522 HydrophobicContact CG1-CD2 4.15Å; I514-F522 HydrophobicContact CG1-CE2 4.38Å; A515-F522 HydrophobicContact CB-CB 4.5Å; A515-F522 HydrophobicContact CB-CD1 3.64Å; A515-F522 HydrophobicContact CB-CD2 4.22Å; A515-F522 HydrophobicContact CB-CE1 3.8Å; A515-F522 HydrophobicContact CB-CE2 4.38Å; A515-F522 HydrophobicContact CB-CG 3.86Å; A515-F522 HydrophobicContact CB-CZ 4.18Å; S518-F522 PolarHBondContact O-N 3.33Å; P519-F522 PolarHBondContact O-N 3.22Å; W520-F522 VanDerWaalsContact C-N 3.32Å; W520-F522 PolarHBondContact O-N 2.87Å; F522-M524 PolarHBondContact O-N 3.47Å; F522-F525 WeakPolarHBondContact O-CB 3.45Å; F522-F525 PolarHBondContact O-N 3.48Å; F522-L526 HydrophobicContact CD1-CD1 4.1Å; F522-L526 HydrophobicContact CE1-CD1 3.64Å; F522-L526 HydrophobicContact CE1-CG 4.18Å; F522-L526 HydrophobicContact CE2-CD2 4.46Å; F522-L526 HydrophobicContact CE2-CG 4.48Å; F522-L526 HydrophobicContact CZ-CD1 4.02Å; F522-L526 HydrophobicContact CZ-CD2 4.15Å; F522-L526 HydrophobicContact CZ-CG 4.16Å; F522-L526 WeakPolarHBondContact O-CG 3.37Å; F522-L526 PolarHBondContact O-N 3.1Å
523	W	95.8	Very high	94.4	Very high	63 Å²	63	42.9 Å²	42.9	24%	0.239	22%	0.222	C	C	.	.	H	α-helix	trans	-60.8	-44.1	173.7	174.1	-128.2	0	0	0	112.6	I304 V307 G308 P519 W520 I521 F525 L526 N527	I304-W523 HydrophobicContact CG2-CZ2 4.47Å; I304-W523 PolarHBondContact O-NE1 2.86Å; V307-W523 HydrophobicContact CB-CZ2 4.08Å; V307-W523 HydrophobicContact CG1-CD2 4.03Å; V307-W523 HydrophobicContact CG1-CE3 4.23Å; V307-W523 HydrophobicContact CG1-CH2 3.96Å; V307-W523 HydrophobicContact CG1-CZ2 3.7Å; V307-W523 HydrophobicContact CG1-CZ3 4.2Å; G308-W523 VanDerWaalsContact CA-CD1 3.43Å; P519-W523 WeakPolarHBondContact O-CB 3.42Å; P519-W523 PolarHBondContact O-N 2.99Å; W520-W523 WeakPolarHBondContact O-CB 3.47Å; W520-W523 PolarHBondContact O-N 2.88Å; I521-W523 PolarHBondContact O-N 2.97Å; W523-F525 VanDerWaalsContact C-N 3.35Å; W523-F525 PolarHBondContact O-N 3.01Å; W523-L526 PolarHBondContact O-N 3.42Å; W523-N527 VanDerWaalsContact CE3-ND2 3.33Å; W523-N527 VanDerWaalsContact CH2-ND2 3.3Å; W523-N527 WeakPolarHBondContact CH2-ND2 2.99Å; W523-N527 WeakPolarHBondContact CZ2-ND2 2.98Å; W523-N527 WeakPolarHBondContact CZ3-ND2 3.23Å; W523-N527 PolarHBondContact O-N 2.96Å; W523-N527 PolarHBondContact O-ND2 3.34Å
524	M	96.9	Very high	94.5	Very high	3 Å²	3	47.5 Å²	47.5	2%	0.015	24%	0.238	C	C	.	.	H	α-helix	trans	-65.3	-37	176.2	-70.9	-62	106.9	0	0	112.6	I304 W359 T363 W520 I521 F522 N527 S528	I304-M524 HydrophobicContact CG2-CE 4.29Å; W359-M524 HydrophobicContact CB-CE 4.32Å; W359-M524 HydrophobicContact CB-SD 4.13Å; T363-M524 HydrophobicContact CG2-CG 4.08Å; T363-M524 WeakPolarHBondContact OG1-CG 3.46Å; W520-M524 HydrophobicContact CH2-CE 4.29Å; W520-M524 HydrophobicContact CZ2-CE 4.08Å; W520-M524 HydrophobicContact CZ2-CG 4.45Å; W520-M524 HydrophobicContact CZ2-SD 4.32Å; W520-M524 PolarHBondContact O-N 3.02Å; I521-M524 PolarHBondContact O-N 3.24Å; F522-M524 PolarHBondContact O-N 3.47Å; M524-N527 PolarHBondContact O-N 3.26Å; M524-S528 WeakPolarHBondContact O-CB 3.45Å; M524-S528 PolarHBondContact O-N 2.96Å; M524-S528 PolarHBondContact O-OG 3.32Å
525	F	97	Very high	94.7	Very high	41 Å²	41	47.8 Å²	47.8	18%	0.18	24%	0.24	C	C	.	.	H	α-helix	trans	-63.1	-47.7	173.7	178.3	-97.5	0	0	0	111.8	I487 C490 I491 W494 I521 F522 W523 N527 S528 I529	I487-F525 HydrophobicContact CG2-CE2 3.97Å; C490-F525 HydrophobicContact CB-CB 4.07Å; C490-F525 HydrophobicContact CB-CD2 3.93Å; C490-F525 HydrophobicContact CB-CG 4.46Å; I491-F525 HydrophobicContact CD1-CE2 4.47Å; I491-F525 HydrophobicContact CG1-CE2 4.32Å; W494-F525 HydrophobicContact CH2-CB 3.6Å; W494-F525 AromaticContact CH2-CD1 3.87Å; W494-F525 HydrophobicContact CH2-CD1 3.87Å; W494-F525 AromaticContact CH2-CD2 3.8Å; W494-F525 HydrophobicContact CH2-CD2 3.8Å; W494-F525 HydrophobicContact CH2-CE1 4.47Å; W494-F525 HydrophobicContact CH2-CE2 4.39Å; W494-F525 AromaticContact CH2-CG 3.49Å; W494-F525 HydrophobicContact CH2-CG 3.49Å; W494-F525 VanDerWaalsContact CH2-CG 3.49Å; W494-F525 HydrophobicContact CZ2-CB 4.16Å; W494-F525 HydrophobicContact CZ2-CG 4.49Å; W494-F525 HydrophobicContact CZ3-CD1 4.49Å; W494-F525 AromaticContact CZ3-CD2 3.97Å; W494-F525 HydrophobicContact CZ3-CD2 3.97Å; W494-F525 HydrophobicContact CZ3-CE2 4.2Å; W494-F525 HydrophobicContact CZ3-CG 4.11Å; I521-F525 WeakPolarHBondContact O-CB 3.42Å; I521-F525 PolarHBondContact O-N 2.99Å; F522-F525 WeakPolarHBondContact O-CB 3.45Å; F522-F525 PolarHBondContact O-N 3.48Å; W523-F525 VanDerWaalsContact C-N 3.35Å; W523-F525 PolarHBondContact O-N 3.01Å; F525-N527 VanDerWaalsContact C-N 3.34Å; F525-N527 PolarHBondContact O-N 3.29Å; F525-S528 WeakPolarHBondContact O-CA 3.42Å; F525-S528 WeakPolarHBondContact O-CB 3.47Å; F525-S528 PolarHBondContact O-N 3.34Å; F525-I529 HydrophobicContact CD1-CG1 4.14Å; F525-I529 HydrophobicContact CE1-CD1 4.33Å; F525-I529 HydrophobicContact CE1-CG1 3.75Å; F525-I529 HydrophobicContact CE2-CD1 4.24Å; F525-I529 HydrophobicContact CE2-CG1 4.26Å; F525-I529 HydrophobicContact CZ-CD1 3.9Å; F525-I529 HydrophobicContact CZ-CG1 3.82Å; F525-I529 WeakPolarHBondContact O-CG1 3.47Å; F525-I529 PolarHBondContact O-N 3.12Å
526	L	95.8	Very high	95	Very high	78 Å²	78	48 Å²	48	41%	0.408	24%	0.241	S	C	.	.	H	α-helix	trans	-59.2	-43.9	176.9	-70.8	179.9	0	0	0	112	F522 W523 S528 I529 F530	F522-L526 HydrophobicContact CD1-CD1 4.1Å; F522-L526 HydrophobicContact CE1-CD1 3.64Å; F522-L526 HydrophobicContact CE1-CG 4.18Å; F522-L526 HydrophobicContact CE2-CD2 4.46Å; F522-L526 HydrophobicContact CE2-CG 4.48Å; F522-L526 HydrophobicContact CZ-CD1 4.02Å; F522-L526 HydrophobicContact CZ-CD2 4.15Å; F522-L526 HydrophobicContact CZ-CG 4.16Å; F522-L526 WeakPolarHBondContact O-CG 3.37Å; F522-L526 PolarHBondContact O-N 3.1Å; W523-L526 PolarHBondContact O-N 3.42Å; L526-S528 VanDerWaalsContact C-N 3.29Å; L526-S528 PolarHBondContact O-N 3.23Å; L526-I529 PolarHBondContact O-N 3.28Å; L526-F530 WeakPolarHBondContact O-CB 3.35Å; L526-F530 PolarHBondContact O-N 3.5Å
527	N	95.8	Very high	95.4	Very high	19 Å²	19	46.9 Å²	46.9	10%	0.102	23%	0.23	C	C	.	.	H	α-helix	trans	-59.5	-42.4	173.6	-83.2	-90.7	0	0	0	111.4	M360 W523 M524 F525 F530 H531	M360-N527 HydrophobicContact CE-CB 4.17Å; W523-N527 VanDerWaalsContact CE3-ND2 3.33Å; W523-N527 VanDerWaalsContact CH2-ND2 3.3Å; W523-N527 WeakPolarHBondContact CH2-ND2 2.99Å; W523-N527 WeakPolarHBondContact CZ2-ND2 2.98Å; W523-N527 WeakPolarHBondContact CZ3-ND2 3.23Å; W523-N527 PolarHBondContact O-N 2.96Å; W523-N527 PolarHBondContact O-ND2 3.34Å; M524-N527 PolarHBondContact O-N 3.26Å; F525-N527 VanDerWaalsContact C-N 3.34Å; F525-N527 PolarHBondContact O-N 3.29Å; N527-F530 PolarHBondContact O-N 3.46Å; N527-H531 WeakPolarHBondContact O-CB 3.35Å; N527-H531 PolarHBondContact O-CD2 3.19Å; N527-H531 PolarHBondContact O-N 3.01Å
528	S	97.3	Very high	95.5	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-63.6	-45	179.3	-57.6	0	0	0	0	112	I483 M486 M524 F525 L526 H531 F532	I483-S528 WeakPolarHBondContact CG2-O 3.45Å; M486-S528 WeakPolarHBondContact CG-OG 3.17Å; M524-S528 WeakPolarHBondContact O-CB 3.45Å; M524-S528 PolarHBondContact O-N 2.96Å; M524-S528 PolarHBondContact O-OG 3.32Å; F525-S528 WeakPolarHBondContact O-CA 3.42Å; F525-S528 WeakPolarHBondContact O-CB 3.47Å; F525-S528 PolarHBondContact O-N 3.34Å; L526-S528 VanDerWaalsContact C-N 3.29Å; L526-S528 PolarHBondContact O-N 3.23Å; S528-H531 PolarHBondContact O-N 2.87Å; S528-F532 VanDerWaalsContact O-CB 3.29Å; S528-F532 WeakPolarHBondContact O-CB 3.41Å; S528-F532 PolarHBondContact O-N 2.89Å
529	I	97	Very high	95.7	Very high	73 Å²	73	47.8 Å²	47.8	37%	0.374	23%	0.23	S	C	.	.	H	α-helix	trans	-62.9	-44.3	176.5	-65.1	-65.4	0	0	0	111.3	I487 F525 L526 H531 F532 M533	I487-I529 HydrophobicContact CD1-CD1 3.75Å; I487-I529 HydrophobicContact CG1-CD1 4.19Å; F525-I529 HydrophobicContact CD1-CG1 4.14Å; F525-I529 HydrophobicContact CE1-CD1 4.33Å; F525-I529 HydrophobicContact CE1-CG1 3.75Å; F525-I529 HydrophobicContact CE2-CD1 4.24Å; F525-I529 HydrophobicContact CE2-CG1 4.26Å; F525-I529 HydrophobicContact CZ-CD1 3.9Å; F525-I529 HydrophobicContact CZ-CG1 3.82Å; F525-I529 WeakPolarHBondContact O-CG1 3.47Å; F525-I529 PolarHBondContact O-N 3.12Å; L526-I529 PolarHBondContact O-N 3.28Å; I529-H531 PolarHBondContact O-N 3.29Å; I529-F532 WeakPolarHBondContact O-CB 3.42Å; I529-F532 PolarHBondContact O-N 3.47Å; I529-M533 PolarHBondContact O-N 3.45Å
530	F	94.6	Very high	95.8	Very high	116 Å²	116	52.1 Å²	52.1	51%	0.509	25%	0.25	S	C	.	.	H	α-helix	trans	-58.4	-50.9	176.1	178.9	-99.2	0	0	0	111	L526 N527 F532 M533 W534	L526-F530 WeakPolarHBondContact O-CB 3.35Å; L526-F530 PolarHBondContact O-N 3.5Å; N527-F530 PolarHBondContact O-N 3.46Å; F530-F532 VanDerWaalsContact C-N 3.34Å; F530-F532 PolarHBondContact O-N 3.21Å; F530-M533 PolarHBondContact O-N 2.93Å; F530-W534 AromaticContact CD2-CD1 3.98Å; F530-W534 AromaticContact CD2-NE1 3.76Å; F530-W534 AromaticContact CE1-CD1 3.69Å; F530-W534 AromaticContact CE1-NE1 3.81Å; F530-W534 AromaticContact CE2-CD1 3.69Å; F530-W534 AromaticContact CE2-NE1 3.1Å; F530-W534 AromaticContact CZ-CD1 3.53Å; F530-W534 AromaticContact CZ-NE1 3.13Å; F530-W534 PolarHBondContact O-N 3.25Å
531	H	94.5	Very high	95.8	Very high	18 Å²	18	54.2 Å²	54.2	8%	0.083	27%	0.265	C	S	.	.	H	α-helix	trans	-64	-37.2	177.6	-80.7	-71.7	0	0	0	113	T356 I483 N527 S528 I529 M533 W534 V535	T356-H531 WeakPolarHBondContact CG2-NE2 3.14Å; T356-H531 PolarHBondContact OG1-NE2 3.09Å; I483-H531 HydrophobicContact CD1-CB 3.73Å; I483-H531 HydrophobicContact CG1-CB 4.33Å; N527-H531 WeakPolarHBondContact O-CB 3.35Å; N527-H531 PolarHBondContact O-CD2 3.19Å; N527-H531 PolarHBondContact O-N 3.01Å; S528-H531 PolarHBondContact O-N 2.87Å; I529-H531 PolarHBondContact O-N 3.29Å; H531-M533 PolarHBondContact O-N 3.5Å; H531-W534 PolarHBondContact O-N 2.89Å; H531-V535 VanDerWaalsContact O-CB 3.32Å; H531-V535 WeakPolarHBondContact O-CB 3.33Å; H531-V535 WeakPolarHBondContact O-CG2 3.44Å; H531-V535 PolarHBondContact O-N 3.3Å
532	F	97.1	Very high	95.8	Very high	77 Å²	77	54.4 Å²	54.4	34%	0.338	27%	0.266	S	S	.	.	H	α-helix	trans	-57.2	-51.4	177	-178.9	-91.3	0	0	0	110.4	L480 I483 I487 S528 I529 F530 W534 V535 A536	L480-F532 HydrophobicContact CD1-CD2 3.46Å; L480-F532 VanDerWaalsContact CD1-CD2 3.46Å; L480-F532 HydrophobicContact CD1-CE2 3.53Å; L480-F532 HydrophobicContact CD1-CG 4.19Å; L480-F532 HydrophobicContact CD1-CZ 4.31Å; L480-F532 HydrophobicContact CG-CD2 4.43Å; L480-F532 HydrophobicContact CG-CE2 4.18Å; I483-F532 HydrophobicContact CG2-CB 3.71Å; I483-F532 HydrophobicContact CG2-CD2 4.24Å; I483-F532 HydrophobicContact CG2-CG 4.49Å; I487-F532 HydrophobicContact CD1-CB 4.37Å; I487-F532 HydrophobicContact CD1-CD2 4.44Å; S528-F532 VanDerWaalsContact O-CB 3.29Å; S528-F532 WeakPolarHBondContact O-CB 3.41Å; S528-F532 PolarHBondContact O-N 2.89Å; I529-F532 WeakPolarHBondContact O-CB 3.42Å; I529-F532 PolarHBondContact O-N 3.47Å; F530-F532 VanDerWaalsContact C-N 3.34Å; F530-F532 PolarHBondContact O-N 3.21Å; F532-W534 PolarHBondContact O-N 2.98Å; F532-V535 PolarHBondContact O-N 3.49Å; F532-A536 HydrophobicContact CE1-CB 4.35Å; F532-A536 WeakPolarHBondContact O-CB 3.29Å; F532-A536 PolarHBondContact O-N 2.93Å
533	M	94.9	Very high	95.9	Very high	101 Å²	101	55.7 Å²	55.7	50%	0.498	28%	0.275	S	S	.	.	H	α-helix	trans	-56.2	-51.4	-179.6	-177.2	-175.5	70.2	0	0	111.4	I529 F530 H531 V537	I529-M533 PolarHBondContact O-N 3.45Å; F530-M533 PolarHBondContact O-N 2.93Å; H531-M533 PolarHBondContact O-N 3.5Å; M533-V537 VanDerWaalsContact O-CG2 3.28Å; M533-V537 WeakPolarHBondContact O-CG2 3.36Å; M533-V537 PolarHBondContact O-N 3.5Å
534	W	92.4	Very high	95.9	Very high	148 Å²	148	58.6 Å²	58.6	56%	0.561	29%	0.286	S	S	*	.	H	α-helix	trans	-67.1	-43.4	-177.8	-74.6	104.3	0	0	0	113.1	F530 H531 F532 L538	F530-W534 AromaticContact CD2-CD1 3.98Å; F530-W534 AromaticContact CD2-NE1 3.76Å; F530-W534 AromaticContact CE1-CD1 3.69Å; F530-W534 AromaticContact CE1-NE1 3.81Å; F530-W534 AromaticContact CE2-CD1 3.69Å; F530-W534 AromaticContact CE2-NE1 3.1Å; F530-W534 AromaticContact CZ-CD1 3.53Å; F530-W534 AromaticContact CZ-NE1 3.13Å; F530-W534 PolarHBondContact O-N 3.25Å; H531-W534 PolarHBondContact O-N 2.89Å; F532-W534 PolarHBondContact O-N 2.98Å; W534-L538 WeakPolarHBondContact O-CB 3.47Å; W534-L538 PolarHBondContact O-N 3.29Å
535	V	95.8	Very high	95.8	Very high	12 Å²	12	59 Å²	59	7%	0.073	29%	0.288	C	S	.	.	H	α-helix	trans	-69.4	-39.9	-179.6	176.5	0	0	0	0	110.8	L476 L479 L480 I483 H531 F532 L538 I539	L476-V535 HydrophobicContact CD2-CG1 4.47Å; L476-V535 WeakPolarHBondContact O-CG1 3.24Å; L479-V535 HydrophobicContact CB-CG1 4.45Å; L479-V535 HydrophobicContact CD2-CG1 4.15Å; L479-V535 HydrophobicContact CD2-CG2 3.6Å; L479-V535 HydrophobicContact CG-CG1 4.12Å; L479-V535 HydrophobicContact CG-CG2 4.01Å; L480-V535 HydrophobicContact CB-CG1 4.04Å; L480-V535 HydrophobicContact CD1-CB 4.42Å; L480-V535 HydrophobicContact CD1-CG1 4.28Å; I483-V535 HydrophobicContact CD1-CB 4.36Å; I483-V535 HydrophobicContact CD1-CG2 4.04Å; H531-V535 VanDerWaalsContact O-CB 3.32Å; H531-V535 WeakPolarHBondContact O-CB 3.33Å; H531-V535 WeakPolarHBondContact O-CG2 3.44Å; H531-V535 PolarHBondContact O-N 3.3Å; F532-V535 PolarHBondContact O-N 3.49Å; V535-L538 PolarHBondContact O-N 3.48Å; V535-I539 WeakPolarHBondContact O-CG2 3.4Å; V535-I539 PolarHBondContact O-N 2.71Å
536	A	96.9	Very high	95.7	Very high	27 Å²	27	57.5 Å²	57.5	22%	0.223	28%	0.282	C	S	.	.	H	α-helix	trans	-62.5	-45.1	176.5	0	0	0	0	0	111.8	L480 F532 I539 M540	L480-A536 HydrophobicContact CD1-CB 4.02Å; F532-A536 HydrophobicContact CE1-CB 4.35Å; F532-A536 WeakPolarHBondContact O-CB 3.29Å; F532-A536 PolarHBondContact O-N 2.93Å; A536-I539 WeakPolarHBondContact O-CG2 3.29Å; A536-M540 WeakPolarHBondContact O-CB 3.1Å; A536-M540 PolarHBondContact O-N 3.28Å
537	V	95.9	Very high	95.7	Very high	71 Å²	71	54.2 Å²	54.2	43%	0.43	27%	0.266	S	S	.	.	H	α-helix	trans	-63.4	-45	175.7	171.4	0	0	0	0	110.6	M533 M540 C541	M533-V537 VanDerWaalsContact O-CG2 3.28Å; M533-V537 WeakPolarHBondContact O-CG2 3.36Å; M533-V537 PolarHBondContact O-N 3.5Å; V537-M540 PolarHBondContact O-N 3.43Å; V537-C541 WeakPolarHBondContact O-CB 3.12Å; V537-C541 PolarHBondContact O-N 3.37Å; V537-C541 PolarHBondContact O-SG 2.79Å
538	L	94.5	Very high	95.6	Very high	63 Å²	63	55 Å²	55	33%	0.33	28%	0.276	S	S	.	.	H	α-helix	trans	-63.8	-46.6	-178.1	-176.7	60.9	0	0	0	112.2	F472 L476 W534 V535 M540 C541 Q542	F472-L538 HydrophobicContact CZ-CD2 4.31Å; L476-L538 HydrophobicContact CD1-CD2 4.07Å; L476-L538 HydrophobicContact CD1-CG 3.89Å; L476-L538 HydrophobicContact CD2-CD2 3.74Å; L476-L538 HydrophobicContact CD2-CG 4.38Å; W534-L538 WeakPolarHBondContact O-CB 3.47Å; W534-L538 PolarHBondContact O-N 3.29Å; V535-L538 PolarHBondContact O-N 3.48Å; L538-M540 VanDerWaalsContact C-N 3.34Å; L538-C541 PolarHBondContact O-N 3.42Å; L538-Q542 HydrophobicContact CD1-CG 4.3Å; L538-Q542 WeakPolarHBondContact O-CB 3.32Å; L538-Q542 VanDerWaalsContact O-CG 3.26Å; L538-Q542 WeakPolarHBondContact O-CG 3.3Å; L538-Q542 PolarHBondContact O-N 3.05Å
539	I	96.1	Very high	95.4	Very high	18 Å²	18	56.1 Å²	56.1	9%	0.092	28%	0.281	C	S	.	.	H	α-helix	trans	-65.7	-38.7	178.2	-162.6	176.2	0	0	0	111.1	M473 L476 F477 L480 V535 A536 Q542 L543	M473-I539 HydrophobicContact CE-CG1 3.83Å; L476-I539 HydrophobicContact CB-CB 4.11Å; L476-I539 HydrophobicContact CB-CD1 4.08Å; L476-I539 HydrophobicContact CB-CG1 4.09Å; L476-I539 HydrophobicContact CD1-CB 4.27Å; F477-I539 HydrophobicContact CB-CD1 3.91Å; L480-I539 HydrophobicContact CD2-CG2 4.4Å; V535-I539 WeakPolarHBondContact O-CG2 3.4Å; V535-I539 PolarHBondContact O-N 2.71Å; A536-I539 WeakPolarHBondContact O-CG2 3.29Å; I539-Q542 PolarHBondContact O-N 2.84Å; I539-L543 HydrophobicContact CD1-CD1 4.47Å; I539-L543 HydrophobicContact CG1-CD1 4Å; I539-L543 HydrophobicContact CG1-CG 4.25Å; I539-L543 VanDerWaalsContact O-CB 3.29Å; I539-L543 WeakPolarHBondContact O-CB 3.44Å; I539-L543 VanDerWaalsContact O-CG 3.3Å; I539-L543 WeakPolarHBondContact O-CG 3.28Å; I539-L543 PolarHBondContact O-N 2.78Å
540	M	96.5	Very high	95.2	Very high	118 Å²	118	53.2 Å²	53.2	58%	0.581	27%	0.269	S	S	*	.	H	α-helix	trans	-61.6	-48.4	175.4	-179.4	-171.9	68.4	0	0	111.3	A536 V537 L538 Q542 L543 Y544	A536-M540 WeakPolarHBondContact O-CB 3.1Å; A536-M540 PolarHBondContact O-N 3.28Å; V537-M540 PolarHBondContact O-N 3.43Å; L538-M540 VanDerWaalsContact C-N 3.34Å; M540-Q542 PolarHBondContact O-N 3.02Å; M540-L543 PolarHBondContact O-N 3.39Å; M540-Y544 VanDerWaalsContact O-CB 3.31Å; M540-Y544 WeakPolarHBondContact O-CB 3.49Å; M540-Y544 PolarHBondContact O-N 2.86Å
541	C	95.6	Very high	95.2	Very high	55 Å²	55	47.9 Å²	47.9	37%	0.372	25%	0.246	S	C	.	.	H	α-helix	trans	-61.5	-44.1	177.3	-71.3	0	0	0	0	111.8	V537 L538 Y544 Q545	V537-C541 WeakPolarHBondContact O-CB 3.12Å; V537-C541 PolarHBondContact O-N 3.37Å; V537-C541 PolarHBondContact O-SG 2.79Å; L538-C541 PolarHBondContact O-N 3.42Å; C541-Y544 PolarHBondContact O-N 2.8Å; C541-Q545 WeakPolarHBondContact O-CB 3.32Å; C541-Q545 WeakPolarHBondContact O-CG 3.26Å; C541-Q545 PolarHBondContact O-N 2.92Å; C541-Q545 PolarHBondContact O-NE2 2.96Å
542	Q	96.3	Very high	95.3	Very high	4 Å²	4	47 Å²	47	2%	0.019	24%	0.242	C	C	.	.	H	α-helix	trans	-65.1	-47	178.5	-73	-75.4	-25	0	0	111.8	D454 H469 M473 L476 L538 I539 M540 Y544 Q545 I546 T553	D454-Q542 PolarHBondContact OD2-NE2 2.83Å; D454-Q542 PolarHBondContact OD2-OE1 3.46Å; H469-Q542 PolarHBondContact NE2-OE1 2.98Å; M473-Q542 HydrophobicContact CE-CB 3.69Å; M473-Q542 HydrophobicContact SD-CB 3.5Å; M473-Q542 VanDerWaalsContact SD-CB 3.5Å; M473-Q542 HydrophobicContact SD-CG 4.2Å; L476-Q542 HydrophobicContact CD1-CG 4.47Å; L538-Q542 HydrophobicContact CD1-CG 4.3Å; L538-Q542 WeakPolarHBondContact O-CB 3.32Å; L538-Q542 VanDerWaalsContact O-CG 3.26Å; L538-Q542 WeakPolarHBondContact O-CG 3.3Å; L538-Q542 PolarHBondContact O-N 3.05Å; I539-Q542 PolarHBondContact O-N 2.84Å; M540-Q542 PolarHBondContact O-N 3.02Å; Q542-Y544 VanDerWaalsContact C-N 3.34Å; Q542-Y544 PolarHBondContact O-N 3.35Å; Q542-Q545 PolarHBondContact O-N 2.88Å; Q542-I546 WeakPolarHBondContact O-CB 3.5Å; Q542-I546 WeakPolarHBondContact O-CD1 3.46Å; Q542-I546 VanDerWaalsContact O-CG1 3.24Å; Q542-I546 WeakPolarHBondContact O-CG1 3.43Å; Q542-I546 PolarHBondContact O-N 3.45Å; Q542-T553 PolarHBondContact NE2-OG1 3.39Å
543	L	96.3	Very high	95.2	Very high	65 Å²	65	44.8 Å²	44.8	34%	0.34	23%	0.234	S	C	.	.	H	α-helix	trans	-60.9	-41.4	175.7	-75.6	172.7	0	0	0	111.9	M473 I539 M540 I546 A547	M473-L543 HydrophobicContact CE-CD2 3.69Å; M473-L543 HydrophobicContact CE-CG 3.61Å; I539-L543 HydrophobicContact CD1-CD1 4.47Å; I539-L543 HydrophobicContact CG1-CD1 4Å; I539-L543 HydrophobicContact CG1-CG 4.25Å; I539-L543 VanDerWaalsContact O-CB 3.29Å; I539-L543 WeakPolarHBondContact O-CB 3.44Å; I539-L543 VanDerWaalsContact O-CG 3.3Å; I539-L543 WeakPolarHBondContact O-CG 3.28Å; I539-L543 PolarHBondContact O-N 2.78Å; M540-L543 PolarHBondContact O-N 3.39Å; L543-I546 PolarHBondContact O-N 2.99Å; L543-A547 WeakPolarHBondContact O-CA 3.28Å; L543-A547 WeakPolarHBondContact O-CB 3.07Å; L543-A547 PolarHBondContact O-N 3.38Å
544	Y	95.9	Very high	95.2	Very high	124 Å²	124	40.2 Å²	40.2	49%	0.486	21%	0.212	S	C	.	.	I	π-helix	trans	-61.5	-45.7	175.5	173.7	-106	0	0	0	111.9	M540 C541 Q542 A548 L549	M540-Y544 VanDerWaalsContact O-CB 3.31Å; M540-Y544 WeakPolarHBondContact O-CB 3.49Å; M540-Y544 PolarHBondContact O-N 2.86Å; C541-Y544 PolarHBondContact O-N 2.8Å; Q542-Y544 VanDerWaalsContact C-N 3.34Å; Q542-Y544 PolarHBondContact O-N 3.35Å; Y544-A548 HydrophobicContact CD2-CB 3.61Å; Y544-A548 HydrophobicContact CE2-CB 3.59Å; Y544-A548 HydrophobicContact CG-CB 4.44Å; Y544-A548 WeakPolarHBondContact O-CA 3.48Å; Y544-A548 VanDerWaalsContact O-CB 3.26Å; Y544-A548 WeakPolarHBondContact O-CB 3.34Å; Y544-A548 PolarHBondContact O-N 2.74Å; Y544-L549 HydrophobicContact CD1-CD1 4.25Å; Y544-L549 HydrophobicContact CE1-CD1 3.6Å; Y544-L549 HydrophobicContact CE1-CG 4.04Å; Y544-L549 PolarHBondContact O-N 3.11Å
545	Q	95.5	Very high	95.3	Very high	10 Å²	10	33.2 Å²	33.2	5%	0.047	19%	0.185	C	C	.	.	I	π-helix	trans	-63.8	-43.7	178.6	-70.4	175.5	120.1	0	0	112.3	C541 Q542 L549 G550 I551 T553	C541-Q545 WeakPolarHBondContact O-CB 3.32Å; C541-Q545 WeakPolarHBondContact O-CG 3.26Å; C541-Q545 PolarHBondContact O-N 2.92Å; C541-Q545 PolarHBondContact O-NE2 2.96Å; Q542-Q545 PolarHBondContact O-N 2.88Å; Q545-L549 CarbonylContact O-C 3.59Å; Q545-L549 WeakPolarHBondContact O-CB 3.42Å; Q545-L549 PolarHBondContact O-N 2.89Å; Q545-G550 PolarHBondContact O-N 3.42Å; Q545-I551 CarbonylContact C-O 3.44Å; Q545-I551 PolarHBondContact O-N 3Å; Q545-I551 VanDerWaalsContact O-N 3.13Å; Q545-T553 PolarHBondContact NE2-OG1 3.39Å; Q545-T553 VanDerWaalsContact NE2-OG1 3.12Å; Q545-T553 VanDerWaalsContact OE1-CA 3.32Å
546	I	95.6	Very high	95.2	Very high	10 Å²	10	38.8 Å²	38.8	5%	0.051	21%	0.205	C	C	.	.	I	π-helix	trans	-68.2	-55.6	179.1	-67.7	160.7	0	0	0	110.2	M473 Q542 L543 G550 N583 F587	M473-I546 HydrophobicContact CE-CD1 4.23Å; M473-I546 HydrophobicContact CG-CD1 3.88Å; M473-I546 HydrophobicContact SD-CD1 3.86Å; Q542-I546 WeakPolarHBondContact O-CB 3.5Å; Q542-I546 WeakPolarHBondContact O-CD1 3.46Å; Q542-I546 VanDerWaalsContact O-CG1 3.24Å; Q542-I546 WeakPolarHBondContact O-CG1 3.43Å; Q542-I546 PolarHBondContact O-N 3.45Å; L543-I546 PolarHBondContact O-N 2.99Å; I546-G550 PolarHBondContact O-N 2.89Å; I546-N583 WeakPolarHBondContact O-CB 3.28Å; I546-F587 HydrophobicContact CD1-CD1 4.38Å; I546-F587 HydrophobicContact CD1-CD2 4.22Å; I546-F587 HydrophobicContact CD1-CE1 3.85Å; I546-F587 HydrophobicContact CD1-CE2 3.66Å; I546-F587 HydrophobicContact CD1-CZ 3.46Å; I546-F587 VanDerWaalsContact CD1-CZ 3.46Å; I546-F587 HydrophobicContact CG1-CD2 4.12Å; I546-F587 HydrophobicContact CG1-CE2 3.9Å; I546-F587 HydrophobicContact CG1-CZ 4.22Å; I546-F587 HydrophobicContact CG2-CB 3.7Å; I546-F587 HydrophobicContact CG2-CD1 3.92Å; I546-F587 HydrophobicContact CG2-CD2 3.62Å; I546-F587 HydrophobicContact CG2-CE1 4.48Å; I546-F587 HydrophobicContact CG2-CE2 4.2Å; I546-F587 HydrophobicContact CG2-CG 3.45Å; I546-F587 VanDerWaalsContact CG2-CG 3.45Å
547	A	95.5	Very high	94.9	Very high	9 Å²	9	44.6 Å²	44.6	7%	0.074	23%	0.23	C	C	.	.	I	π-helix	trans	-77.7	-54.3	-170.7	0	0	0	0	0	111.7	L543 C580 N583 L584	L543-A547 WeakPolarHBondContact O-CA 3.28Å; L543-A547 WeakPolarHBondContact O-CB 3.07Å; L543-A547 PolarHBondContact O-N 3.38Å; A547-C580 VanDerWaalsContact O-CA 3.28Å; A547-C580 WeakPolarHBondContact O-CA 3.22Å; A547-N583 PolarHBondContact O-ND2 3.37Å; A547-L584 HydrophobicContact CB-CD1 4.04Å; A547-L584 HydrophobicContact CB-CD2 3.86Å; A547-L584 HydrophobicContact CB-CG 3.74Å
548	A	94	Very high	94.7	Very high	37 Å²	37	42.8 Å²	42.8	31%	0.306	22%	0.218	S	C	.	.	I	π-helix	trans	-81.6	-30.5	-171.7	0	0	0	0	0	113.6	Y544 N577	Y544-A548 HydrophobicContact CD2-CB 3.61Å; Y544-A548 HydrophobicContact CE2-CB 3.59Å; Y544-A548 HydrophobicContact CG-CB 4.44Å; Y544-A548 WeakPolarHBondContact O-CA 3.48Å; Y544-A548 VanDerWaalsContact O-CB 3.26Å; Y544-A548 WeakPolarHBondContact O-CB 3.34Å; Y544-A548 PolarHBondContact O-N 2.74Å; A548-N577 PolarHBondContact O-ND2 3.45Å
549	L	92.8	Very high	94.5	Very high	23 Å²	23	40.1 Å²	40.1	12%	0.12	20%	0.204	C	C	.	.	I	π-helix	trans	-113.5	-20.5	-171.9	-59.5	-177.8	0	0	0	114.4	Y544 Q545 I551 S574	Y544-L549 HydrophobicContact CD1-CD1 4.25Å; Y544-L549 HydrophobicContact CE1-CD1 3.6Å; Y544-L549 HydrophobicContact CE1-CG 4.04Å; Y544-L549 PolarHBondContact O-N 3.11Å; Q545-L549 CarbonylContact O-C 3.59Å; Q545-L549 WeakPolarHBondContact O-CB 3.42Å; Q545-L549 PolarHBondContact O-N 2.89Å; L549-I551 HydrophobicContact CB-CD1 3.91Å; L549-I551 HydrophobicContact CB-CG1 3.72Å; L549-I551 HydrophobicContact CD1-CD1 3.71Å; L549-I551 HydrophobicContact CD1-CG1 4.23Å; L549-I551 HydrophobicContact CG-CD1 4.46Å; L549-I551 PolarHBondContact O-N 3.05Å; L549-S574 WeakPolarHBondContact O-CB 3.31Å
550	G	92.9	Very high	94.2	Very high	11 Å²	11	49.5 Å²	49.5	11%	0.113	24%	0.239	C	C	.	.			trans	64.6	21.4	-175.5	0	0	0	0	0	114.3	R439 Q545 I546	R439-G550 PolarHBondContact NH2-O 3.36Å; Q545-G550 PolarHBondContact O-N 3.42Å; I546-G550 PolarHBondContact O-N 2.89Å
551	I	94.6	Very high	93.7	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.021	25%	0.248	C	C	.	.			trans	-118.2	159.8	-175.9	67.6	-174.6	0	0	0	112.1	Q545 L549 E555 R556 F565 S574	Q545-I551 CarbonylContact C-O 3.44Å; Q545-I551 PolarHBondContact O-N 3Å; Q545-I551 VanDerWaalsContact O-N 3.13Å; L549-I551 HydrophobicContact CB-CD1 3.91Å; L549-I551 HydrophobicContact CB-CG1 3.72Å; L549-I551 HydrophobicContact CD1-CD1 3.71Å; L549-I551 HydrophobicContact CD1-CG1 4.23Å; L549-I551 HydrophobicContact CG-CD1 4.46Å; L549-I551 PolarHBondContact O-N 3.05Å; I551-E555 HydrophobicContact CB-CB 4.23Å; I551-R556 HydrophobicContact CD1-CB 3.61Å; I551-R556 HydrophobicContact CD1-CG 3.93Å; I551-R556 HydrophobicContact CG1-CB 4.29Å; I551-F565 HydrophobicContact CG2-CE1 3.96Å; I551-F565 HydrophobicContact CG2-CZ 4.06Å; I551-S574 WeakPolarHBondContact CG2-OG 3.3Å
552	T	95.8	Very high	93.3	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.006	24%	0.24	C	C	.	.			trans	-86.9	164.1	168.3	62.5	0	0	0	0	111.7	K452 F453 D454 N554 E555 R556	K452-T552 HydrophobicContact CG-CG2 3.78Å; F453-T552 PolarHBondContact O-OG1 3.36Å; D454-T552 HydrophobicContact CB-CG2 4.38Å; D454-T552 VanDerWaalsContact OD1-CA 3.22Å; D454-T552 WeakPolarHBondContact OD1-CA 3.16Å; D454-T552 VanDerWaalsContact OD1-CB 3.27Å; D454-T552 WeakPolarHBondContact OD1-CB 3.27Å; T552-N554 VanDerWaalsContact C-N 3.35Å; T552-N554 PolarHBondContact O-N 2.92Å; T552-E555 WeakPolarHBondContact CB-OE2 3.46Å; T552-E555 WeakPolarHBondContact CG2-OE2 3.38Å; T552-E555 PolarHBondContact N-OE2 3.05Å; T552-E555 PolarHBondContact O-N 2.74Å; T552-E555 VanDerWaalsContact OG1-CB 3.3Å; T552-E555 WeakPolarHBondContact OG1-CB 3.31Å; T552-E555 WeakPolarHBondContact OG1-CG 3.4Å; T552-E555 PolarHBondContact OG1-N 3.14Å; T552-E555 PolarHBondContact OG1-OE2 2.82Å; T552-R556 PolarHBondContact O-N 3.39Å
553	T	95.5	Very high	92.7	Very high	29 Å²	29	63.8 Å²	63.8	18%	0.178	28%	0.284	C	S	.	.	H	α-helix	trans	-58.1	-45.8	174.3	-54.3	0	0	0	0	111.6	D454 Q542 Q545 E555 R556 M557	D454-T553 PolarHBondContact OD1-N 2.87Å; D454-T553 PolarHBondContact OD1-OG1 3.27Å; D454-T553 PolarHBondContact OD2-OG1 3.05Å; Q542-T553 PolarHBondContact NE2-OG1 3.39Å; Q545-T553 PolarHBondContact NE2-OG1 3.39Å; Q545-T553 VanDerWaalsContact NE2-OG1 3.12Å; Q545-T553 VanDerWaalsContact OE1-CA 3.32Å; T553-E555 PolarHBondContact O-N 3.17Å; T553-R556 PolarHBondContact O-N 3.27Å; T553-M557 HydrophobicContact CG2-SD 4.31Å; T553-M557 WeakPolarHBondContact O-CG 3.48Å; T553-M557 PolarHBondContact O-N 2.89Å
554	N	94.8	Very high	92.1	Very high	6 Å²	6	62.1 Å²	62.1	3%	0.032	28%	0.275	C	S	.	.	H	α-helix	trans	-60.7	-44	176.3	172.7	72.3	0	0	0	112.5	K441 F453 D454 T552 M557 N558 Y562	K441-N554 WeakPolarHBondContact CD-OD1 3.27Å; K441-N554 WeakPolarHBondContact CE-OD1 3.09Å; K441-N554 PolarHBondContact NZ-OD1 3.43Å; F453-N554 HydrophobicContact CD1-CB 3.66Å; F453-N554 HydrophobicContact CE1-CB 3.99Å; F453-N554 WeakPolarHBondContact O-CB 3.41Å; D454-N554 VanDerWaalsContact O-CB 3.29Å; D454-N554 WeakPolarHBondContact O-CB 3.35Å; D454-N554 PolarHBondContact O-N 3.24Å; D454-N554 VanDerWaalsContact O-N 3.09Å; T552-N554 VanDerWaalsContact C-N 3.35Å; T552-N554 PolarHBondContact O-N 2.92Å; N554-M557 PolarHBondContact O-N 3.29Å; N554-N558 WeakPolarHBondContact O-CB 3.31Å; N554-N558 PolarHBondContact O-N 3.28Å; N554-N558 VanDerWaalsContact O-N 3.09Å; N554-N558 PolarHBondContact O-ND2 3.44Å; N554-N558 PolarHBondContact OD1-ND2 3.01Å; N554-Y562 PolarHBondContact ND2-OH 3.19Å
555	E	94.5	Very high	91.8	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62.6	-44.8	177.1	-76.2	165.4	153.4	0	0	111.3	R439 I551 T552 T553 M557 N558 A559 Y562 F565	R439-E555 WeakPolarHBondContact CB-OE1 3.39Å; R439-E555 WeakPolarHBondContact CD-OE1 3.34Å; R439-E555 WeakPolarHBondContact CG-OE1 3.47Å; R439-E555 IonicContact CZ-OE1 3.99Å; R439-E555 IonicContact CZ-OE2 3.27Å; R439-E555 IonicContact NE-OE1 3.22Å; R439-E555 PolarHBondContact NE-OE1 3.25Å; R439-E555 IonicContact NE-OE2 3.58Å; R439-E555 PolarHBondContact NE-OE2 2.79Å; R439-E555 IonicContact NH2-OE1 2.67Å; R439-E555 IonicContact NH2-OE2 3.55Å; R439-E555 PolarHBondContact NH2-OE2 2.99Å; I551-E555 HydrophobicContact CB-CB 4.23Å; T552-E555 WeakPolarHBondContact CB-OE2 3.46Å; T552-E555 WeakPolarHBondContact CG2-OE2 3.38Å; T552-E555 PolarHBondContact N-OE2 3.05Å; T552-E555 PolarHBondContact O-N 2.74Å; T552-E555 VanDerWaalsContact OG1-CB 3.3Å; T552-E555 WeakPolarHBondContact OG1-CB 3.31Å; T552-E555 WeakPolarHBondContact OG1-CG 3.4Å; T552-E555 PolarHBondContact OG1-N 3.14Å; T552-E555 PolarHBondContact OG1-OE2 2.82Å; T553-E555 PolarHBondContact O-N 3.17Å; E555-M557 PolarHBondContact O-N 3.45Å; E555-N558 CarbonylContact O-C 3.53Å; E555-N558 PolarHBondContact O-N 2.84Å; E555-N558 VanDerWaalsContact O-N 3.15Å; E555-A559 WeakPolarHBondContact O-CA 3.41Å; E555-A559 WeakPolarHBondContact O-CB 3.34Å; E555-A559 PolarHBondContact O-N 2.99Å; E555-Y562 HydrophobicContact CG-CE2 4.25Å; E555-F565 HydrophobicContact CB-CE2 3.74Å; E555-F565 HydrophobicContact CB-CZ 3.84Å; E555-F565 HydrophobicContact CG-CE2 3.99Å; E555-F565 HydrophobicContact CG-CZ 3.95Å
556	R	93.5	Very high	91.4	Very high	130 Å²	130	61.1 Å²	61.1	49%	0.491	27%	0.273	S	S	.	.	H	α-helix	trans	-57.6	-47.9	176.6	-172.1	175.9	180	-94.9	-1.9	112	I551 T552 T553 N558 I572	I551-R556 HydrophobicContact CD1-CB 3.61Å; I551-R556 HydrophobicContact CD1-CG 3.93Å; I551-R556 HydrophobicContact CG1-CB 4.29Å; T552-R556 PolarHBondContact O-N 3.39Å; T553-R556 PolarHBondContact O-N 3.27Å; R556-N558 PolarHBondContact O-N 3.18Å; R556-I572 HydrophobicContact CG-CD1 4.22Å
557	M	91.8	Very high	91.1	Very high	149 Å²	149	63.1 Å²	63.1	73%	0.734	29%	0.285	S	S	*	.	H	α-helix	trans	-66.2	-26	-179.9	-69.8	-177.5	73.2	0	0	113.1	T553 N554 E555	T553-M557 HydrophobicContact CG2-SD 4.31Å; T553-M557 WeakPolarHBondContact O-CG 3.48Å; T553-M557 PolarHBondContact O-N 2.89Å; N554-M557 PolarHBondContact O-N 3.29Å; E555-M557 PolarHBondContact O-N 3.45Å
558	N	91.5	Very high	90.7	Very high	33 Å²	33	65.9 Å²	65.9	18%	0.176	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.9	20.8	-174.9	-64.3	-82.8	0	0	0	112.5	N554 E555 R556 R560 R561 Y562	N554-N558 WeakPolarHBondContact O-CB 3.31Å; N554-N558 PolarHBondContact O-N 3.28Å; N554-N558 VanDerWaalsContact O-N 3.09Å; N554-N558 PolarHBondContact O-ND2 3.44Å; N554-N558 PolarHBondContact OD1-ND2 3.01Å; E555-N558 CarbonylContact O-C 3.53Å; E555-N558 PolarHBondContact O-N 2.84Å; E555-N558 VanDerWaalsContact O-N 3.15Å; R556-N558 PolarHBondContact O-N 3.18Å; N558-R560 VanDerWaalsContact C-N 3.26Å; N558-R560 PolarHBondContact O-N 3.13Å; N558-R560 VanDerWaalsContact O-N 3.11Å; N558-R561 WeakPolarHBondContact O-CB 3.49Å; N558-R561 PolarHBondContact O-N 3.38Å; N558-Y562 HydrophobicContact CB-CD2 4.4Å; N558-Y562 HydrophobicContact CB-CE2 3.8Å; N558-Y562 VanDerWaalsContact O-CD2 3.3Å; N558-Y562 WeakPolarHBondContact O-CD2 3.45Å
559	A	90.3	Very high	90.1	Very high	6 Å²	6	69 Å²	69	5%	0.05	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-55.3	-41.2	-166.4	0	0	0	0	0	112.9	E555 R561 Y562 F565 V567 I572	E555-A559 WeakPolarHBondContact O-CA 3.41Å; E555-A559 WeakPolarHBondContact O-CB 3.34Å; E555-A559 PolarHBondContact O-N 2.99Å; A559-R561 PolarHBondContact O-N 2.96Å; A559-R561 VanDerWaalsContact O-N 3.15Å; A559-Y562 PolarHBondContact O-N 3.36Å; A559-Y562 VanDerWaalsContact O-N 3.13Å; A559-F565 HydrophobicContact CB-CD2 4.18Å; A559-V567 HydrophobicContact CB-CG2 3.77Å; A559-I572 HydrophobicContact CB-CD1 3.83Å; A559-I572 HydrophobicContact CB-CG1 4.24Å; A559-I572 HydrophobicContact CB-CG2 4.18Å
560	R	88.7	Confident	89.6	Confident	216 Å²	216	74.6 Å²	74.6	82%	0.815	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-64.3	-17.1	178.2	-64.6	-175.7	179.9	177.6	0.1	114.6	N558 V567	N558-R560 VanDerWaalsContact C-N 3.26Å; N558-R560 PolarHBondContact O-N 3.13Å; N558-R560 VanDerWaalsContact O-N 3.11Å; R560-V567 HydrophobicContact CG-CB 4.38Å; R560-V567 HydrophobicContact CG-CG1 4.02Å; R560-V567 HydrophobicContact CG-CG2 4.49Å
561	R	87	Confident	89.3	Confident	206 Å²	206	76.4 Å²	76.4	78%	0.777	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-85.3	-16.6	178.1	-59.2	-175.5	179.8	-172.2	-1	112.5	N558 A559	N558-R561 WeakPolarHBondContact O-CB 3.49Å; N558-R561 PolarHBondContact O-N 3.38Å; A559-R561 PolarHBondContact O-N 2.96Å; A559-R561 VanDerWaalsContact O-N 3.15Å
562	Y	85.9	Confident	89	Confident	52 Å²	52	78 Å²	78	20%	0.204	38%	0.382	C	S	.	.			trans	-99.7	117.2	-178.6	-65.1	-75.2	0	0	0	110.2	N554 E555 N558 A559 H564 F565	N554-Y562 PolarHBondContact ND2-OH 3.19Å; E555-Y562 HydrophobicContact CG-CE2 4.25Å; N558-Y562 HydrophobicContact CB-CD2 4.4Å; N558-Y562 HydrophobicContact CB-CE2 3.8Å; N558-Y562 VanDerWaalsContact O-CD2 3.3Å; N558-Y562 WeakPolarHBondContact O-CD2 3.45Å; A559-Y562 PolarHBondContact O-N 3.36Å; A559-Y562 VanDerWaalsContact O-N 3.13Å; Y562-H564 AromaticContact CD1-CE1 3.7Å; Y562-H564 AromaticContact CG-CE1 3.97Å; Y562-H564 PolarHBondContact O-N 3.23Å; Y562-H564 VanDerWaalsContact O-N 3.15Å; Y562-F565 AromaticContact CD2-CD2 3.95Å; Y562-F565 HydrophobicContact CD2-CD2 3.95Å; Y562-F565 AromaticContact CD2-CE2 3.7Å; Y562-F565 HydrophobicContact CD2-CE2 3.7Å; Y562-F565 HydrophobicContact CG-CD2 4.09Å; Y562-F565 AromaticContact CG-CE2 3.96Å; Y562-F565 HydrophobicContact CG-CE2 3.96Å; Y562-F565 PolarHBondContact O-N 3.34Å
563	K	83.6	Confident	88.7	Confident	218 Å²	218	83 Å²	83	95%	0.948	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-24.5	-177.9	-64.4	-176.8	179.6	179.4	0	114	F565	K563-F565 VanDerWaalsContact C-N 3.35Å
564	H	85.2	Confident	88.4	Confident	30 Å²	30	82.3 Å²	82.3	14%	0.139	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-7.6	-178.1	58.5	-102.7	0	0	0	113.9	Y562 P575 F576 I609	Y562-H564 AromaticContact CD1-CE1 3.7Å; Y562-H564 AromaticContact CG-CE1 3.97Å; Y562-H564 PolarHBondContact O-N 3.23Å; Y562-H564 VanDerWaalsContact O-N 3.15Å; H564-P575 HydrophobicContact CB-CG 4.35Å; H564-P575 WeakPolarHBondContact O-CD 3.42Å; H564-F576 AromaticContact CD2-CE2 3.77Å; H564-F576 AromaticContact NE2-CE2 3.67Å; H564-I609 HydrophobicContact CB-CD1 3.54Å
565	F	88.7	Confident	88.1	Confident	14 Å²	14	82.9 Å²	82.9	6%	0.061	41%	0.405	C	S	.	.			trans	-93.7	132.6	172.1	-65.9	-41.6	0	0	0	110.6	I551 E555 A559 Y562 K563 V567 I572 F576	I551-F565 HydrophobicContact CG2-CE1 3.96Å; I551-F565 HydrophobicContact CG2-CZ 4.06Å; E555-F565 HydrophobicContact CB-CE2 3.74Å; E555-F565 HydrophobicContact CB-CZ 3.84Å; E555-F565 HydrophobicContact CG-CE2 3.99Å; E555-F565 HydrophobicContact CG-CZ 3.95Å; A559-F565 HydrophobicContact CB-CD2 4.18Å; Y562-F565 AromaticContact CD2-CD2 3.95Å; Y562-F565 HydrophobicContact CD2-CD2 3.95Å; Y562-F565 AromaticContact CD2-CE2 3.7Å; Y562-F565 HydrophobicContact CD2-CE2 3.7Å; Y562-F565 HydrophobicContact CG-CD2 4.09Å; Y562-F565 AromaticContact CG-CE2 3.96Å; Y562-F565 HydrophobicContact CG-CE2 3.96Å; Y562-F565 PolarHBondContact O-N 3.34Å; K563-F565 VanDerWaalsContact C-N 3.35Å; F565-V567 HydrophobicContact CB-CG2 4.05Å; F565-I572 HydrophobicContact CB-CG2 4.42Å; F565-I572 HydrophobicContact CG-CG2 4.42Å; F565-F576 HydrophobicContact CE1-CD2 4.08Å; F565-F576 HydrophobicContact CE1-CE2 4.01Å; F565-F576 HydrophobicContact CZ-CE2 4.24Å
566	K	87.9	Confident	87.9	Confident	99 Å²	99	83.6 Å²	83.6	43%	0.43	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	110	166.9	-56.6	174.1	-179.5	174.3	0	107.6	E573 Y619	K566-E573 HydrophobicContact CB-CB 4.14Å; K566-E573 WeakPolarHBondContact CD-OE2 3.28Å; K566-E573 PolarHBondContact N-O 2.95Å; K566-E573 PolarHBondContact O-N 3.39Å; K566-Y619 WeakPolarHBondContact CE-OH 3.35Å
567	V	88.3	Confident	87.7	Confident	52 Å²	52	80.2 Å²	80.2	32%	0.315	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	119.4	-176	-176	0	0	0	0	109.1	A559 R560 F565 I572	A559-V567 HydrophobicContact CB-CG2 3.77Å; R560-V567 HydrophobicContact CG-CB 4.38Å; R560-V567 HydrophobicContact CG-CG1 4.02Å; R560-V567 HydrophobicContact CG-CG2 4.49Å; F565-V567 HydrophobicContact CB-CG2 4.05Å; V567-I572 HydrophobicContact CG1-CG1 4.34Å; V567-I572 HydrophobicContact CG2-CG2 4.47Å
568	T	86.8	Confident	87.6	Confident	68 Å²	68	78.2 Å²	78.2	42%	0.417	39%	0.389	S	S	.	.			trans	-101.9	-176.8	171.2	73.8	0	0	0	0	110.3	T570 S571	T568-T570 PolarHBondContact O-N 3.02Å; T568-T570 PolarHBondContact OG1-N 3.06Å; T568-S571 PolarHBondContact N-O 3.38Å; T568-S571 PolarHBondContact OG1-N 2.96Å; T568-S571 PolarHBondContact OG1-O 2.84Å; T568-S571 PolarHBondContact OG1-OG 3.01Å
569	A	81.9	Confident	87.5	Confident	103 Å²	103	78.2 Å²	78.2	85%	0.851	40%	0.396	S	S	*	.	S	Bend	trans	-64.1	-26.1	174.6	0	0	0	0	0	112.9
570	T	82.6	Confident	87.7	Confident	140 Å²	140	81.3 Å²	81.3	86%	0.859	42%	0.417	S	S	*	.	S	Bend	trans	-124.3	-14.7	-170.7	53.8	0	0	0	0	114.1	T568	T568-T570 PolarHBondContact O-N 3.02Å; T568-T570 PolarHBondContact OG1-N 3.06Å
571	S	86.2	Confident	87.8	Confident	48 Å²	48	77.1 Å²	77.1	34%	0.336	41%	0.41	S	S	.	.			trans	-137.6	153.9	-175.6	69	0	0	0	0	113.3	T568	T568-S571 PolarHBondContact N-O 3.38Å; T568-S571 PolarHBondContact OG1-N 2.96Å; T568-S571 PolarHBondContact OG1-O 2.84Å; T568-S571 PolarHBondContact OG1-OG 3.01Å
572	I	88.9	Confident	88	Confident	39 Å²	39	71.3 Å²	71.3	20%	0.2	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	112.2	168.1	-60.3	167.4	0	0	0	106.1	R556 A559 F565 V567	R556-I572 HydrophobicContact CG-CD1 4.22Å; A559-I572 HydrophobicContact CB-CD1 3.83Å; A559-I572 HydrophobicContact CB-CG1 4.24Å; A559-I572 HydrophobicContact CB-CG2 4.18Å; F565-I572 HydrophobicContact CB-CG2 4.42Å; F565-I572 HydrophobicContact CG-CG2 4.42Å; V567-I572 HydrophobicContact CG1-CG1 4.34Å; V567-I572 HydrophobicContact CG2-CG2 4.47Å
573	E	88.9	Confident	88.4	Confident	106 Å²	106	69.3 Å²	69.3	50%	0.495	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	118.5	171.7	-60.9	178.3	179.9	0	0	108.8	K566	K566-E573 HydrophobicContact CB-CB 4.14Å; K566-E573 WeakPolarHBondContact CD-OE2 3.28Å; K566-E573 PolarHBondContact N-O 2.95Å; K566-E573 PolarHBondContact O-N 3.39Å
574	S	90	Very high	88.9	Confident	14 Å²	14	61.3 Å²	61.3	10%	0.098	35%	0.348	C	S	.	.			trans	-100.1	130.3	178.4	176.4	0	0	0	0	110.1	L549 I551 F576 N577	L549-S574 WeakPolarHBondContact O-CB 3.31Å; I551-S574 WeakPolarHBondContact CG2-OG 3.3Å; S574-F576 PolarHBondContact O-N 3.36Å; S574-F576 VanDerWaalsContact O-N 3.15Å; S574-F576 WeakPolarHBondContact OG-CD2 3Å; S574-F576 PolarHBondContact OG-N 3.49Å; S574-N577 WeakPolarHBondContact O-CB 3.2Å; S574-N577 PolarHBondContact O-N 2.94Å
575	P	88.5	Confident	89.2	Confident	17 Å²	17	61 Å²	61	11%	0.11	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-14.5	172.2	30.7	-36.5	0	0	0	112.1	H564 I609 Y619	H564-P575 HydrophobicContact CB-CG 4.35Å; H564-P575 WeakPolarHBondContact O-CD 3.42Å; P575-I609 HydrophobicContact CG-CD1 3.98Å; P575-Y619 HydrophobicContact CB-CD2 3.31Å; P575-Y619 HydrophobicContact CB-CE2 3.97Å; P575-Y619 HydrophobicContact CB-CG 3.63Å
576	F	89.3	Confident	89.4	Confident	15 Å²	15	61.5 Å²	61.5	7%	0.066	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	8	-179.4	-42.6	-64.3	0	0	0	113	I438 R439 H564 F565 S574 W603 I609 L621	I438-F576 HydrophobicContact CD1-CE1 4.39Å; I438-F576 HydrophobicContact CD1-CZ 3.88Å; I438-F576 HydrophobicContact CG1-CZ 4.2Å; R439-F576 HydrophobicContact CG-CE2 3.84Å; R439-F576 HydrophobicContact CG-CZ 3.81Å; H564-F576 AromaticContact CD2-CE2 3.77Å; H564-F576 AromaticContact NE2-CE2 3.67Å; F565-F576 HydrophobicContact CE1-CD2 4.08Å; F565-F576 HydrophobicContact CE1-CE2 4.01Å; F565-F576 HydrophobicContact CZ-CE2 4.24Å; S574-F576 PolarHBondContact O-N 3.36Å; S574-F576 VanDerWaalsContact O-N 3.15Å; S574-F576 WeakPolarHBondContact OG-CD2 3Å; S574-F576 PolarHBondContact OG-N 3.49Å; F576-W603 AromaticContact CD1-CH2 3.87Å; F576-W603 HydrophobicContact CD1-CH2 3.87Å; F576-W603 HydrophobicContact CD1-CZ3 4.48Å; F576-W603 HydrophobicContact CE1-CH2 4Å; F576-W603 HydrophobicContact CE1-CZ3 4.16Å; F576-I609 HydrophobicContact CE1-CD1 3.94Å; F576-I609 HydrophobicContact CZ-CD1 3.73Å; F576-L621 HydrophobicContact CE1-CD2 4.22Å
577	N	90.5	Very high	89.7	Confident	60 Å²	60	57.9 Å²	57.9	32%	0.321	33%	0.334	S	S	.	.			trans	-93.1	107.9	178.4	-172.9	7.2	0	0	0	110.3	A548 S574 G579 N583	A548-N577 PolarHBondContact O-ND2 3.45Å; S574-N577 WeakPolarHBondContact O-CB 3.2Å; S574-N577 PolarHBondContact O-N 2.94Å; N577-G579 PolarHBondContact OD1-N 3.15Å; N577-G579 VanDerWaalsContact OD1-N 3.11Å; N577-N583 PolarHBondContact OD1-ND2 3.15Å
578	H	88.3	Confident	89.9	Confident	106 Å²	106	59.1 Å²	59.1	49%	0.491	34%	0.336	S	S	.	.			trans	-99.7	13.6	178	-55.3	-68.6	0	0	0	112.8	R582 N583	H578-R582 HydrophobicContact CB-CB 3.91Å; H578-R582 HydrophobicContact CB-CG 3.56Å; H578-R582 WeakPolarHBondContact O-CB 3.36Å; H578-N583 PolarHBondContact N-OD1 2.89Å
579	G	90.9	Very high	90.1	Very high	33 Å²	33	60 Å²	60	34%	0.34	34%	0.335	S	S	.	.			trans	93	155.7	-174.3	0	0	0	0	0	113.2	N577 I581 R582 N583	N577-G579 PolarHBondContact OD1-N 3.15Å; N577-G579 VanDerWaalsContact OD1-N 3.11Å; G579-I581 PolarHBondContact O-N 3.03Å; G579-R582 PolarHBondContact O-N 2.98Å; G579-R582 VanDerWaalsContact O-N 3.12Å; G579-N583 WeakPolarHBondContact O-CB 3.46Å; G579-N583 VanDerWaalsContact O-CG 3.25Å; G579-N583 PolarHBondContact O-N 3.1Å; G579-N583 PolarHBondContact O-ND2 3.37Å
580	C	93	Very high	90.4	Very high	71 Å²	71	58.9 Å²	58.9	48%	0.48	31%	0.314	S	S	.	.	H	α-helix	trans	-51.5	-52.2	-167.7	-172.2	0	0	0	0	114.3	A547 L584	A547-C580 VanDerWaalsContact O-CA 3.28Å; A547-C580 WeakPolarHBondContact O-CA 3.22Å; C580-L584 WeakPolarHBondContact O-CG 3.48Å; C580-L584 PolarHBondContact O-N 3.21Å
581	I	91.9	Very high	90.8	Very high	129 Å²	129	60.9 Å²	60.9	66%	0.662	31%	0.306	S	S	*	.	H	α-helix	trans	-66.8	-43.4	-178.2	-62.3	174.7	0	0	0	110.6	G579 L584 I585	G579-I581 PolarHBondContact O-N 3.03Å; I581-L584 PolarHBondContact O-N 3.08Å; I581-I585 HydrophobicContact CG2-CD1 3.78Å; I581-I585 WeakPolarHBondContact O-CG1 3.37Å; I581-I585 PolarHBondContact O-N 3.04Å
582	R	91.8	Very high	90.7	Very high	84 Å²	84	61.3 Å²	61.3	32%	0.317	31%	0.308	S	S	.	.	H	α-helix	trans	-67.5	-43.3	-176.9	-173.2	56.9	177.8	-178.9	1.7	111.6	H578 G579 L584 I585 D586 R597	H578-R582 HydrophobicContact CB-CB 3.91Å; H578-R582 HydrophobicContact CB-CG 3.56Å; H578-R582 WeakPolarHBondContact O-CB 3.36Å; G579-R582 PolarHBondContact O-N 2.98Å; G579-R582 VanDerWaalsContact O-N 3.12Å; R582-L584 VanDerWaalsContact C-N 3.29Å; R582-L584 PolarHBondContact O-N 3.23Å; R582-I585 WeakPolarHBondContact O-CB 3.39Å; R582-I585 PolarHBondContact O-N 3.44Å; R582-D586 IonicContact CZ-OD1 3.53Å; R582-D586 IonicContact NE-OD1 2.73Å; R582-D586 PolarHBondContact NE-OD1 3.19Å; R582-D586 IonicContact NE-OD2 3.39Å; R582-D586 PolarHBondContact NE-OD2 3.2Å; R582-D586 IonicContact NH2-OD1 3.97Å; R582-D586 WeakPolarHBondContact O-CB 3.49Å; R582-D586 VanDerWaalsContact O-CG 3.27Å; R582-D586 PolarHBondContact O-N 2.92Å; R582-R597 VanDerWaalsContact CZ-O 3.26Å; R582-R597 PolarHBondContact NH1-O 3.35Å; R582-R597 PolarHBondContact NH2-O 3.46Å
583	N	93.3	Very high	90.1	Very high	10 Å²	10	65.6 Å²	65.6	5%	0.053	34%	0.34	C	S	.	.	H	α-helix	trans	-58.8	-40.4	175.5	-68.7	-13	0	0	0	112.3	I546 A547 N577 H578 G579 F587	I546-N583 WeakPolarHBondContact O-CB 3.28Å; A547-N583 PolarHBondContact O-ND2 3.37Å; N577-N583 PolarHBondContact OD1-ND2 3.15Å; H578-N583 PolarHBondContact N-OD1 2.89Å; G579-N583 WeakPolarHBondContact O-CB 3.46Å; G579-N583 VanDerWaalsContact O-CG 3.25Å; G579-N583 PolarHBondContact O-N 3.1Å; G579-N583 PolarHBondContact O-ND2 3.37Å; N583-F587 WeakPolarHBondContact O-CB 3.5Å; N583-F587 PolarHBondContact O-N 3.28Å
584	L	93.9	Very high	89.4	Confident	50 Å²	50	62.8 Å²	62.8	26%	0.262	34%	0.339	S	S	.	.	H	α-helix	trans	-66.8	-43.4	176.4	-74.3	170.3	0	0	0	112.1	A547 C580 I581 R582 F587 F588	A547-L584 HydrophobicContact CB-CD1 4.04Å; A547-L584 HydrophobicContact CB-CD2 3.86Å; A547-L584 HydrophobicContact CB-CG 3.74Å; C580-L584 WeakPolarHBondContact O-CG 3.48Å; C580-L584 PolarHBondContact O-N 3.21Å; I581-L584 PolarHBondContact O-N 3.08Å; R582-L584 VanDerWaalsContact C-N 3.29Å; R582-L584 PolarHBondContact O-N 3.23Å; L584-F587 PolarHBondContact O-N 3.47Å; L584-F588 HydrophobicContact CD2-CD2 4.18Å; L584-F588 HydrophobicContact CD2-CE2 3.84Å; L584-F588 WeakPolarHBondContact O-CB 3.28Å; L584-F588 WeakPolarHBondContact O-CD2 3.34Å; L584-F588 PolarHBondContact O-N 3.35Å
585	I	92.5	Very high	88.7	Confident	23 Å²	23	69.6 Å²	69.6	12%	0.118	37%	0.374	C	S	.	.	H	α-helix	trans	-58.3	-49.2	175.2	-73.1	165	0	0	0	110.5	I581 R582 E589 I590 I596 P598	I581-I585 HydrophobicContact CG2-CD1 3.78Å; I581-I585 WeakPolarHBondContact O-CG1 3.37Å; I581-I585 PolarHBondContact O-N 3.04Å; R582-I585 WeakPolarHBondContact O-CB 3.39Å; R582-I585 PolarHBondContact O-N 3.44Å; I585-E589 CarbonylContact O-C 3.58Å; I585-E589 VanDerWaalsContact O-CA 3.31Å; I585-E589 WeakPolarHBondContact O-CA 3.41Å; I585-E589 PolarHBondContact O-N 2.73Å; I585-I590 PolarHBondContact O-N 3.47Å; I585-I596 HydrophobicContact CB-CG2 4.35Å; I585-I596 HydrophobicContact CD1-CG2 3.86Å; I585-I596 HydrophobicContact CG1-CG2 4.07Å; I585-I596 HydrophobicContact CG2-CG2 3.35Å; I585-P598 HydrophobicContact CG2-CB 4.31Å
586	D	91.3	Very high	88.4	Confident	24 Å²	24	71.4 Å²	71.4	13%	0.128	38%	0.382	C	S	.	.	H	α-helix	trans	-68.2	-41.1	-177.3	-66.1	-21.6	0	0	0	111.1	R582 E589 P598 V599	R582-D586 IonicContact CZ-OD1 3.53Å; R582-D586 IonicContact NE-OD1 2.73Å; R582-D586 PolarHBondContact NE-OD1 3.19Å; R582-D586 IonicContact NE-OD2 3.39Å; R582-D586 PolarHBondContact NE-OD2 3.2Å; R582-D586 IonicContact NH2-OD1 3.97Å; R582-D586 WeakPolarHBondContact O-CB 3.49Å; R582-D586 VanDerWaalsContact O-CG 3.27Å; R582-D586 PolarHBondContact O-N 2.92Å; D586-E589 PolarHBondContact O-N 3.45Å; D586-P598 VanDerWaalsContact OD1-CA 3.24Å; D586-P598 WeakPolarHBondContact OD1-CA 3.45Å; D586-V599 PolarHBondContact OD1-N 3.11Å
587	F	94	Very high	88.1	Confident	24 Å²	24	79.1 Å²	79.1	11%	0.105	41%	0.411	C	S	.	.	H	α-helix	trans	-67.9	-45.2	179.9	-179.2	-90.2	0	0	0	113.6	H469 R470 M473 I546 N583 L584 E589	H469-F587 HydrophobicContact CB-CE2 3.94Å; H469-F587 HydrophobicContact CB-CZ 3.85Å; H469-F587 AromaticContact CD2-CZ 3.8Å; H469-F587 AromaticContact CG-CE2 3.61Å; H469-F587 AromaticContact CG-CZ 3.57Å; H469-F587 AromaticContact ND1-CE2 3.53Å; H469-F587 AromaticContact ND1-CZ 3.95Å; R470-F587 HydrophobicContact CB-CE1 4.36Å; M473-F587 HydrophobicContact CB-CE1 4.38Å; M473-F587 HydrophobicContact CG-CE1 3.73Å; M473-F587 HydrophobicContact CG-CZ 3.81Å; I546-F587 HydrophobicContact CD1-CD1 4.38Å; I546-F587 HydrophobicContact CD1-CD2 4.22Å; I546-F587 HydrophobicContact CD1-CE1 3.85Å; I546-F587 HydrophobicContact CD1-CE2 3.66Å; I546-F587 HydrophobicContact CD1-CZ 3.46Å; I546-F587 VanDerWaalsContact CD1-CZ 3.46Å; I546-F587 HydrophobicContact CG1-CD2 4.12Å; I546-F587 HydrophobicContact CG1-CE2 3.9Å; I546-F587 HydrophobicContact CG1-CZ 4.22Å; I546-F587 HydrophobicContact CG2-CB 3.7Å; I546-F587 HydrophobicContact CG2-CD1 3.92Å; I546-F587 HydrophobicContact CG2-CD2 3.62Å; I546-F587 HydrophobicContact CG2-CE1 4.48Å; I546-F587 HydrophobicContact CG2-CE2 4.2Å; I546-F587 HydrophobicContact CG2-CG 3.45Å; I546-F587 VanDerWaalsContact CG2-CG 3.45Å; N583-F587 WeakPolarHBondContact O-CB 3.5Å; N583-F587 PolarHBondContact O-N 3.28Å; L584-F587 PolarHBondContact O-N 3.47Å; F587-E589 VanDerWaalsContact C-N 3.27Å
588	F	92.9	Very high	87.8	Confident	78 Å²	78	76.9 Å²	76.9	34%	0.342	40%	0.4	S	S	.	.	H	α-helix	trans	-86.5	0.5	178.8	-72.8	-70.5	0	0	0	112.9	M473 L584 I590	M473-F588 HydrophobicContact CB-CE1 4.15Å; M473-F588 HydrophobicContact CB-CZ 4.15Å; L584-F588 HydrophobicContact CD2-CD2 4.18Å; L584-F588 HydrophobicContact CD2-CE2 3.84Å; L584-F588 WeakPolarHBondContact O-CB 3.28Å; L584-F588 WeakPolarHBondContact O-CD2 3.34Å; L584-F588 PolarHBondContact O-N 3.35Å; F588-I590 HydrophobicContact CB-CD1 4.05Å; F588-I590 HydrophobicContact CB-CG1 3.73Å; F588-I590 PolarHBondContact O-N 2.89Å
589	E	90.9	Very high	87.6	Confident	85 Å²	85	75.6 Å²	75.6	40%	0.397	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	53	40.1	-177.3	-61.3	174.8	-172.3	0	0	112.7	R470 I585 D586 F587 R591 P598 T600	R470-E589 IonicContact CZ-OE2 2.73Å; R470-E589 VanDerWaalsContact NH1-CD 3.33Å; R470-E589 IonicContact NH1-OE1 3.72Å; R470-E589 IonicContact NH1-OE2 3.49Å; R470-E589 PolarHBondContact NH1-OE2 3.29Å; I585-E589 CarbonylContact O-C 3.58Å; I585-E589 VanDerWaalsContact O-CA 3.31Å; I585-E589 WeakPolarHBondContact O-CA 3.41Å; I585-E589 PolarHBondContact O-N 2.73Å; D586-E589 PolarHBondContact O-N 3.45Å; F587-E589 VanDerWaalsContact C-N 3.27Å; E589-R591 PolarHBondContact O-N 2.79Å; E589-P598 HydrophobicContact CB-CG 4.35Å; E589-T600 HydrophobicContact CG-CG2 4.25Å
590	I	88.9	Confident	87.1	Confident	80 Å²	80	78 Å²	78	41%	0.41	41%	0.407	S	S	.	.			trans	-68.2	124.4	-175.9	-58.3	174.7	0	0	0	109.2	I585 F588 I596	I585-I590 PolarHBondContact O-N 3.47Å; F588-I590 HydrophobicContact CB-CD1 4.05Å; F588-I590 HydrophobicContact CB-CG1 3.73Å; F588-I590 PolarHBondContact O-N 2.89Å; I590-I596 WeakPolarHBondContact O-CG2 3.26Å
591	R	90.1	Very high	86.7	Confident	182 Å²	182	76.5 Å²	76.5	69%	0.687	40%	0.396	S	S	*	.			trans	-116.9	132.1	176.5	-65.7	176.9	-176	-115.4	-1.4	109.6	E589 P598	E589-R591 PolarHBondContact O-N 2.79Å; R591-P598 HydrophobicContact CG-CG 4.1Å
592	C	85.1	Confident	86.6	Confident	58 Å²	58	74.1 Å²	74.1	39%	0.392	39%	0.385	S	S	.	.	B	Isolated β-bridge	trans	-136.3	107.5	175	-174.8	0	0	0	0	109.8	G594 L595 I596	C592-G594 PolarHBondContact O-N 3.2Å; C592-L595 PolarHBondContact O-N 2.92Å; C592-I596 HydrophobicContact CB-CB 4Å; C592-I596 HydrophobicContact CB-CD1 3.89Å; C592-I596 HydrophobicContact CB-CG1 4.03Å; C592-I596 PolarHBondContact N-O 2.98Å; C592-I596 PolarHBondContact O-N 3.34Å; C592-I596 VanDerWaalsContact O-N 3.15Å
593	C	76.4	Confident	86.6	Confident	128 Å²	128	71.4 Å²	71.4	87%	0.865	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	39.3	35.4	169.8	-59.5	0	0	0	0	116.2	L595	C593-L595 PolarHBondContact O-N 3.13Å
594	G	73.2	Confident	86.3	Confident	47 Å²	47	73.3 Å²	73.3	49%	0.485	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.7	-13.2	-178.1	0	0	0	0	0	116.4	C592 R597	C592-G594 PolarHBondContact O-N 3.2Å; G594-R597 PolarHBondContact O-NE 3.48Å
595	L	76.3	Confident	85.9	Confident	157 Å²	157	73.5 Å²	73.5	82%	0.822	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-34.5	176.1	-66.1	171.9	0	0	0	112.3	C592 C593	C592-L595 PolarHBondContact O-N 2.92Å; C593-L595 PolarHBondContact O-N 3.13Å
596	I	82.8	Confident	85.3	Confident	55 Å²	55	76.9 Å²	76.9	28%	0.282	41%	0.405	S	S	.	.	B	Isolated β-bridge	trans	-112.5	112.2	174.6	-57	179.2	0	0	0	108.1	I585 I590 C592	I585-I596 HydrophobicContact CB-CG2 4.35Å; I585-I596 HydrophobicContact CD1-CG2 3.86Å; I585-I596 HydrophobicContact CG1-CG2 4.07Å; I585-I596 HydrophobicContact CG2-CG2 3.35Å; I590-I596 WeakPolarHBondContact O-CG2 3.26Å; C592-I596 HydrophobicContact CB-CB 4Å; C592-I596 HydrophobicContact CB-CD1 3.89Å; C592-I596 HydrophobicContact CB-CG1 4.03Å; C592-I596 PolarHBondContact N-O 2.98Å; C592-I596 PolarHBondContact O-N 3.34Å; C592-I596 VanDerWaalsContact O-N 3.15Å
597	R	82.6	Confident	84.7	Confident	177 Å²	177	78.7 Å²	78.7	67%	0.668	41%	0.411	S	S	*	.			trans	-118	117.4	173.4	-63.6	-175.7	-173.2	-168.5	-2.1	109.3	R582 G594	R582-R597 VanDerWaalsContact CZ-O 3.26Å; R582-R597 PolarHBondContact NH1-O 3.35Å; R582-R597 PolarHBondContact NH2-O 3.46Å; G594-R597 PolarHBondContact O-NE 3.48Å
598	P	84.4	Confident	83.7	Confident	14 Å²	14	80.8 Å²	80.8	9%	0.091	43%	0.425	C	S	.	.			trans	-71.8	144.3	176.4	29.9	-33.5	0	0	0	110.4	I585 D586 E589 R591 T600	I585-P598 HydrophobicContact CG2-CB 4.31Å; D586-P598 VanDerWaalsContact OD1-CA 3.24Å; D586-P598 WeakPolarHBondContact OD1-CA 3.45Å; E589-P598 HydrophobicContact CB-CG 4.35Å; R591-P598 HydrophobicContact CG-CG 4.1Å; P598-T600 HydrophobicContact CG-CG2 4.46Å; P598-T600 PolarHBondContact O-N 3.1Å
599	V	82.7	Confident	82.7	Confident	78 Å²	78	79 Å²	79	47%	0.473	42%	0.419	S	S	.	.			trans	-80.8	101	168	-169.4	0	0	0	0	108.3	D586 V601	D586-V599 PolarHBondContact OD1-N 3.11Å; V599-V601 HydrophobicContact CG1-CG2 4.09Å
600	T	80.3	Confident	81.5	Confident	84 Å²	84	78.9 Å²	78.9	52%	0.515	42%	0.421	S	S	.	.			trans	-89.9	115.2	174.9	52.6	0	0	0	0	109.6	E589 P598	E589-T600 HydrophobicContact CG-CG2 4.25Å; P598-T600 HydrophobicContact CG-CG2 4.46Å; P598-T600 PolarHBondContact O-N 3.1Å
601	V	85.9	Confident	80	Confident	39 Å²	39	81.7 Å²	81.7	24%	0.236	43%	0.427	C	S	.	.			trans	-108.2	130	177	-179.7	0	0	0	0	109	V599 W603 Y607 L621	V599-V601 HydrophobicContact CG1-CG2 4.09Å; V601-W603 HydrophobicContact CB-CD2 4.3Å; V601-W603 HydrophobicContact CB-CH2 4.45Å; V601-W603 HydrophobicContact CB-CZ2 3.82Å; V601-W603 HydrophobicContact CG1-CD2 3.87Å; V601-W603 HydrophobicContact CG1-CE3 4.04Å; V601-W603 HydrophobicContact CG1-CG 4.45Å; V601-W603 HydrophobicContact CG1-CH2 4.06Å; V601-W603 HydrophobicContact CG1-CZ2 3.87Å; V601-W603 HydrophobicContact CG1-CZ3 4.12Å; V601-W603 HydrophobicContact CG2-CZ2 4.14Å; V601-W603 PolarHBondContact O-N 3.36Å; V601-W603 VanDerWaalsContact O-N 3.12Å; V601-W603 PolarHBondContact O-NE1 3.16Å; V601-Y607 HydrophobicContact CG1-CD2 4.36Å; V601-Y607 HydrophobicContact CG1-CE2 3.61Å; V601-L621 HydrophobicContact CG1-CD1 3.85Å; V601-L621 HydrophobicContact CG2-CD1 4.17Å
602	D	89.1	Confident	78.2	Confident	80 Å²	80	74.8 Å²	74.8	43%	0.428	40%	0.404	S	S	.	.			trans	-80.3	88.9	172.4	-177.1	0.8	0	0	0	110.2	T604 T605 Y607	D602-T604 VanDerWaalsContact CG-OG1 3.27Å; D602-T604 PolarHBondContact O-N 3.46Å; D602-T604 WeakPolarHBondContact OD1-CB 3.48Å; D602-T604 PolarHBondContact OD1-N 2.93Å; D602-T604 PolarHBondContact OD1-OG1 3.44Å; D602-T604 PolarHBondContact OD2-OG1 2.02Å; D602-T605 HydrophobicContact CB-CG2 4.44Å; D602-T605 PolarHBondContact O-N 3.11Å; D602-T605 PolarHBondContact O-OG1 3.04Å; D602-Y607 VanDerWaalsContact O-CE2 3.24Å; D602-Y607 WeakPolarHBondContact O-CE2 3.46Å
603	W	91.1	Very high	76.4	Confident	27 Å²	27	80 Å²	80	10%	0.102	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-1.9	-179.2	-60.2	100.5	0	0	0	114.8	I438 R439 A451 K452 F576 V601 L621	I438-W603 HydrophobicContact CG2-CE3 3.99Å; I438-W603 HydrophobicContact CG2-CZ3 3.84Å; R439-W603 HydrophobicContact CB-CE3 4.47Å; R439-W603 HydrophobicContact CG-CE3 4.1Å; R439-W603 HydrophobicContact CG-CZ3 3.96Å; A451-W603 HydrophobicContact CB-CB 4Å; A451-W603 VanDerWaalsContact CB-O 3.23Å; A451-W603 WeakPolarHBondContact CB-O 2.99Å; K452-W603 HydrophobicContact CB-CB 4.02Å; K452-W603 HydrophobicContact CB-CG 3.93Å; K452-W603 HydrophobicContact CD-CD2 4.42Å; K452-W603 HydrophobicContact CD-CG 4.18Å; F576-W603 AromaticContact CD1-CH2 3.87Å; F576-W603 HydrophobicContact CD1-CH2 3.87Å; F576-W603 HydrophobicContact CD1-CZ3 4.48Å; F576-W603 HydrophobicContact CE1-CH2 4Å; F576-W603 HydrophobicContact CE1-CZ3 4.16Å; V601-W603 HydrophobicContact CB-CD2 4.3Å; V601-W603 HydrophobicContact CB-CH2 4.45Å; V601-W603 HydrophobicContact CB-CZ2 3.82Å; V601-W603 HydrophobicContact CG1-CD2 3.87Å; V601-W603 HydrophobicContact CG1-CE3 4.04Å; V601-W603 HydrophobicContact CG1-CG 4.45Å; V601-W603 HydrophobicContact CG1-CH2 4.06Å; V601-W603 HydrophobicContact CG1-CZ2 3.87Å; V601-W603 HydrophobicContact CG1-CZ3 4.12Å; V601-W603 HydrophobicContact CG2-CZ2 4.14Å; V601-W603 PolarHBondContact O-N 3.36Å; V601-W603 VanDerWaalsContact O-N 3.12Å; V601-W603 PolarHBondContact O-NE1 3.16Å; W603-L621 HydrophobicContact CH2-CD1 3.79Å; W603-L621 HydrophobicContact CZ3-CD1 4Å
604	T	88.5	Confident	74.8	Confident	49 Å²	49	80 Å²	80	30%	0.301	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-19.8	172.3	73	0	0	0	0	112.6	P437 A451 D602	P437-T604 WeakPolarHBondContact CG-O 3.16Å; A451-T604 HydrophobicContact CB-CG2 3.8Å; D602-T604 VanDerWaalsContact CG-OG1 3.27Å; D602-T604 PolarHBondContact O-N 3.46Å; D602-T604 WeakPolarHBondContact OD1-CB 3.48Å; D602-T604 PolarHBondContact OD1-N 2.93Å; D602-T604 PolarHBondContact OD1-OG1 3.44Å; D602-T604 PolarHBondContact OD2-OG1 2.02Å
605	T	85.1	Confident	73.5	Confident	55 Å²	55	80.6 Å²	80.6	34%	0.337	42%	0.416	S	S	.	.	S	Bend	trans	-87.5	155.8	176.9	57.6	0	0	0	0	112.1	D602 Y607	D602-T605 HydrophobicContact CB-CG2 4.44Å; D602-T605 PolarHBondContact O-N 3.11Å; D602-T605 PolarHBondContact O-OG1 3.04Å; T605-Y607 WeakPolarHBondContact O-CD2 3.39Å; T605-Y607 WeakPolarHBondContact OG1-CE2 3.19Å; T605-Y607 PolarHBondContact OG1-OH 3.41Å
606	Q	80.6	Confident	71.9	Confident	94 Å²	94	77 Å²	77	44%	0.439	42%	0.417	S	S	.	.			trans	-77.3	137	175.3	-67.5	178.2	27.8	0	0	110.3
607	Y	78.4	Confident	70	Confident	62 Å²	62	78.9 Å²	78.9	24%	0.243	43%	0.434	C	S	.	.			trans	-136.3	147.8	172.7	-61	-74.2	0	0	0	109.2	I438 V601 D602 T605 L621 V622	I438-Y607 HydrophobicContact CG2-CD2 4.28Å; V601-Y607 HydrophobicContact CG1-CD2 4.36Å; V601-Y607 HydrophobicContact CG1-CE2 3.61Å; D602-Y607 VanDerWaalsContact O-CE2 3.24Å; D602-Y607 WeakPolarHBondContact O-CE2 3.46Å; T605-Y607 WeakPolarHBondContact O-CD2 3.39Å; T605-Y607 WeakPolarHBondContact OG1-CE2 3.19Å; T605-Y607 PolarHBondContact OG1-OH 3.41Å; Y607-L621 HydrophobicContact CD1-CB 4.28Å; Y607-L621 HydrophobicContact CG-CB 4.34Å; Y607-L621 HydrophobicContact CG-CD2 4.45Å; Y607-V622 CarbonylContact C-O 3.53Å; Y607-V622 VanDerWaalsContact CA-O 3.26Å; Y607-V622 WeakPolarHBondContact CA-O 3.38Å
608	T	72.3	Confident	68.8	Low	68 Å²	68	71.8 Å²	71.8	42%	0.417	42%	0.417	S	S	.	.			trans	-98.9	150.4	163.8	46.7	0	0	0	0	110.2	L621 V622	T608-L621 WeakPolarHBondContact O-CA 3.44Å; T608-V622 PolarHBondContact N-O 3.29Å; T608-V622 PolarHBondContact O-N 3.12Å
609	I	71.5	Confident	67.5	Low	39 Å²	39	74.4 Å²	74.4	20%	0.2	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	112.4	173.2	-74.5	178.9	0	0	0	107.4	I438 H564 P575 F576 Y619 L621	I438-I609 HydrophobicContact CD1-CD1 3.22Å; I438-I609 HydrophobicContact CD1-CG1 3.47Å; I438-I609 VanDerWaalsContact CD1-CG1 3.47Å; H564-I609 HydrophobicContact CB-CD1 3.54Å; P575-I609 HydrophobicContact CG-CD1 3.98Å; F576-I609 HydrophobicContact CE1-CD1 3.94Å; F576-I609 HydrophobicContact CZ-CD1 3.73Å; I609-Y619 HydrophobicContact CG2-CD1 3.1Å; I609-Y619 HydrophobicContact CG2-CE1 3.79Å; I609-Y619 HydrophobicContact CG2-CG 3.73Å; I609-L621 HydrophobicContact CG1-CD2 4.02Å
610	D	66.7	Low	66.7	Low	83 Å²	83	76 Å²	76	44%	0.444	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	141.9	173.2	-72.4	-14.2	0	0	0	110.3	D612 Y619 Q620 V622	D610-D612 PolarHBondContact O-N 3.45Å; D610-Y619 CarbonylContact O-C 3.5Å; D610-Y619 WeakPolarHBondContact O-CA 3.32Å; D610-Q620 PolarHBondContact N-O 2.95Å; D610-Q620 PolarHBondContact O-N 2.9Å; D610-V622 HydrophobicContact CB-CG2 4.05Å; D610-V622 WeakPolarHBondContact OD2-CG2 3.41Å
611	Y	56.4	Low	66.1	Low	139 Å²	139	74.3 Å²	74.3	55%	0.545	42%	0.415	S	S	.	.			trans	-87.4	102.6	177.3	-169.8	-96.3	0	0	0	109.2	Q613 Y619	Y611-Q613 HydrophobicContact CD1-CG 3.68Å; Y611-Q613 HydrophobicContact CE1-CG 3.78Å; Y611-Q613 PolarHBondContact O-N 3.42Å; Y611-Y619 AromaticContact CD2-CD1 4Å; Y611-Y619 HydrophobicContact CD2-CD1 4Å; Y611-Y619 AromaticContact CD2-CE1 3.7Å; Y611-Y619 HydrophobicContact CD2-CE1 3.7Å; Y611-Y619 HydrophobicContact CD2-CE2 4.37Å; Y611-Y619 AromaticContact CD2-CZ 3.9Å
612	D	52.1	Low	64.9	Low	37 Å²	37	77.5 Å²	77.5	20%	0.198	44%	0.435	C	S	.	.			trans	-78.3	110	174.3	-177.9	12.2	0	0	0	110.2	D610 T614 S615	D610-D612 PolarHBondContact O-N 3.45Å; D612-T614 VanDerWaalsContact C-N 3.29Å; D612-T614 WeakPolarHBondContact OD1-CB 3.47Å; D612-T614 PolarHBondContact OD1-N 3.38Å; D612-T614 PolarHBondContact OD1-OG1 2.83Å; D612-S615 WeakPolarHBondContact OD2-CB 3.49Å; D612-S615 PolarHBondContact OD2-N 3.07Å; D612-S615 PolarHBondContact OD2-OG 3.11Å
613	Q	46.9	Very low	63.7	Low	168 Å²	168	77.4 Å²	77.4	79%	0.785	44%	0.435	S	S	*	.	S	Bend	trans	-77.3	-13.9	175.4	-68.8	-172.5	-6.8	0	0	112.9	Y611	Y611-Q613 HydrophobicContact CD1-CG 3.68Å; Y611-Q613 HydrophobicContact CE1-CG 3.78Å; Y611-Q613 PolarHBondContact O-N 3.42Å
614	T	44.8	Very low	62.3	Low	129 Å²	129	80.1 Å²	80.1	79%	0.791	45%	0.453	S	S	*	.	S	Bend	trans	-98.4	-29.3	-166.2	62.9	0	0	0	0	114.7	D612	D612-T614 VanDerWaalsContact C-N 3.29Å; D612-T614 WeakPolarHBondContact OD1-CB 3.47Å; D612-T614 PolarHBondContact OD1-N 3.38Å; D612-T614 PolarHBondContact OD1-OG1 2.83Å
615	S	45.9	Very low	60.8	Low	59 Å²	59	81.8 Å²	81.8	41%	0.413	46%	0.461	S	S	.	.	S	Bend	trans	-89.4	-5.4	-177.2	64.6	0	0	0	0	115.5	D612 S617	D612-S615 WeakPolarHBondContact OD2-CB 3.49Å; D612-S615 PolarHBondContact OD2-N 3.07Å; D612-S615 PolarHBondContact OD2-OG 3.11Å; S615-S617 PolarHBondContact O-N 3.14Å; S615-S617 PolarHBondContact OG-OG 2.93Å
616	G	41.2	Very low	59.4	Low	82 Å²	82	83.4 Å²	83.4	85%	0.845	47%	0.468	S	S	*	.	S	Bend	trans	60.2	6.7	-176.1	0	0	0	0	0	114.7
617	S	43.1	Very low	58.1	Low	93 Å²	93	82.7 Å²	82.7	65%	0.65	47%	0.47	S	S	*	.	S	Bend	trans	-109.1	1.7	-169.3	73	0	0	0	0	114.8	S615	S615-S617 PolarHBondContact O-N 3.14Å; S615-S617 PolarHBondContact OG-OG 2.93Å
618	G	58.7	Low	56.7	Low	29 Å²	29	84.1 Å²	84.1	30%	0.299	49%	0.485	S	S	.	.			trans	82.2	-179.8	-179.8	0	0	0	0	0	113.3
619	Y	56	Low	55.6	Low	68 Å²	68	85.2 Å²	85.2	27%	0.267	49%	0.49	S	S	.	.			trans	-39.6	138.6	-168.8	-64	-84	0	0	0	116.8	K566 P575 I609 D610 Y611	K566-Y619 WeakPolarHBondContact CE-OH 3.35Å; P575-Y619 HydrophobicContact CB-CD2 3.31Å; P575-Y619 HydrophobicContact CB-CE2 3.97Å; P575-Y619 HydrophobicContact CB-CG 3.63Å; I609-Y619 HydrophobicContact CG2-CD1 3.1Å; I609-Y619 HydrophobicContact CG2-CE1 3.79Å; I609-Y619 HydrophobicContact CG2-CG 3.73Å; D610-Y619 CarbonylContact O-C 3.5Å; D610-Y619 WeakPolarHBondContact O-CA 3.32Å; Y611-Y619 AromaticContact CD2-CD1 4Å; Y611-Y619 HydrophobicContact CD2-CD1 4Å; Y611-Y619 AromaticContact CD2-CE1 3.7Å; Y611-Y619 HydrophobicContact CD2-CE1 3.7Å; Y611-Y619 HydrophobicContact CD2-CE2 4.37Å; Y611-Y619 AromaticContact CD2-CZ 3.9Å
620	Q	65.1	Low	54.4	Low	111 Å²	111	88.8 Å²	88.8	52%	0.519	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	141.1	172.8	-173.1	171.7	-7.2	0	0	110.9	D610 V622	D610-Q620 PolarHBondContact N-O 2.95Å; D610-Q620 PolarHBondContact O-N 2.9Å; Q620-V622 HydrophobicContact CG-CG2 4.45Å
621	L	68.9	Low	53.4	Low	50 Å²	50	89.3 Å²	89.3	26%	0.262	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	122.4	167.9	-67.6	173.9	0	0	0	108.7	F576 V601 W603 Y607 T608 I609	F576-L621 HydrophobicContact CE1-CD2 4.22Å; V601-L621 HydrophobicContact CG1-CD1 3.85Å; V601-L621 HydrophobicContact CG2-CD1 4.17Å; W603-L621 HydrophobicContact CH2-CD1 3.79Å; W603-L621 HydrophobicContact CZ3-CD1 4Å; Y607-L621 HydrophobicContact CD1-CB 4.28Å; Y607-L621 HydrophobicContact CG-CB 4.34Å; Y607-L621 HydrophobicContact CG-CD2 4.45Å; T608-L621 WeakPolarHBondContact O-CA 3.44Å; I609-L621 HydrophobicContact CG1-CD2 4.02Å
622	V	61.2	Low	53.1	Low	106 Å²	106	84.7 Å²	84.7	64%	0.642	52%	0.516	S	S	*	.			trans	-113	0	177.5	-176.6	0	0	0	0	110.3	Y607 T608 D610 Q620	Y607-V622 CarbonylContact C-O 3.53Å; Y607-V622 VanDerWaalsContact CA-O 3.26Å; Y607-V622 WeakPolarHBondContact CA-O 3.38Å; T608-V622 PolarHBondContact N-O 3.29Å; T608-V622 PolarHBondContact O-N 3.12Å; D610-V622 HydrophobicContact CB-CG2 4.05Å; D610-V622 WeakPolarHBondContact OD2-CG2 3.41Å; Q620-V622 HydrophobicContact CG-CG2 4.45Å

Retrieved 622 of 622 residues in 1234.7 ms (Link to these results)

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