A0A077ZGN4_TRITR Loading...

Proteasome activator complex subunit 3

AlphaFold DB , UniProt , Accession A0A077ZGN4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 461 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	35	Very low	39.5	Very low	196 Å²	196	133.7 Å²	133.7	97%	0.966	68%	0.678	S	S	*	*				0	-57.1	0	-155.3	176.3	-79	0	0	111.2	A4	M1-A4 PolarHBondContact O-N 2.95Å
2	W	34.3	Very low	38.9	Very low	203 Å²	203	135.1 Å²	135.1	77%	0.769	69%	0.688	S	S	*	*	H	α-helix	trans	-62.7	-43.3	175.2	-168.6	-110.2	0	0	0	114.6	A4 I5 K6	W2-A4 PolarHBondContact O-N 2.79Å; W2-I5 PolarHBondContact O-N 3.03Å; W2-K6 PolarHBondContact O-N 2.96Å
3	E	46.1	Very low	38.5	Very low	130 Å²	130	132.8 Å²	132.8	61%	0.607	69%	0.692	S	S	*	*	H	α-helix	trans	-67.2	-14.3	176.3	-72.7	-67.3	130.9	0	0	113.8	K6	E3-K6 IonicContact OE1-NZ 3.94Å; E3-K6 PolarHBondContact OE1-NZ 3.35Å; E3-K6 IonicContact OE2-NZ 3.56Å
4	A	43.6	Very low	37.9	Very low	73 Å²	73	135.6 Å²	135.6	60%	0.603	71%	0.707	S	S	*	*	H	α-helix	trans	-88.6	-18.8	175.9	0	0	0	0	0	113.3	M1 W2	M1-A4 PolarHBondContact O-N 2.95Å; W2-A4 PolarHBondContact O-N 2.79Å
5	I	39.5	Very low	37.4	Very low	83 Å²	83	138.8 Å²	138.8	43%	0.426	72%	0.717	S	S	.	*	H	α-helix	trans	-93.7	-27.8	-178	-61.8	168.4	0	0	0	111.1	W2 P7 M8 L9	W2-I5 PolarHBondContact O-N 3.03Å; I5-P7 VanDerWaalsContact C-CD 3.4Å; I5-M8 PolarHBondContact O-N 3.44Å; I5-L9 HydrophobicContact CG2-CD1 4.05Å
6	K	35.6	Very low	37	Very low	122 Å²	122	140.3 Å²	140.3	53%	0.53	73%	0.725	S	S	.	*	G	3₁₀ helix	trans	-51.1	-38.5	-178.4	-149.6	176.1	-170.1	175.2	0	115.3	W2 E3	W2-K6 PolarHBondContact O-N 2.96Å; E3-K6 IonicContact OE1-NZ 3.94Å; E3-K6 PolarHBondContact OE1-NZ 3.35Å; E3-K6 IonicContact OE2-NZ 3.56Å
7	P	45.6	Very low	36.4	Very low	89 Å²	89	142.4 Å²	142.4	58%	0.578	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-79.5	-13	179	-12.4	29.4	0	0	0	114.5	I5	I5-P7 VanDerWaalsContact C-CD 3.4Å
8	M	45.7	Very low	36.1	Very low	169 Å²	169	139.8 Å²	139.8	83%	0.833	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-90.4	-4.2	-178.9	-58.5	-165.3	99.2	0	0	113.3	I5	I5-M8 PolarHBondContact O-N 3.44Å
9	L	38.3	Very low	35.7	Very low	149 Å²	149	138.7 Å²	138.7	78%	0.78	73%	0.732	S	S	*	*	S	Bend	trans	-109.2	1	-179.2	-71.6	167.6	0	0	0	113	I5	I5-L9 HydrophobicContact CG2-CD1 4.05Å
10	S	36.2	Very low	35.2	Very low	72 Å²	72	139.7 Å²	139.7	50%	0.503	74%	0.736	S	S	.	*	S	Bend	trans	-114	128.1	173.8	60.9	0	0	0	0	109
11	E	34.2	Very low	34.9	Very low	185 Å²	185	137.1 Å²	137.1	86%	0.864	73%	0.727	S	S	*	*	S	Bend	trans	102.4	121.4	179.9	-57.4	179.2	175.4	0	0	113.1
12	D	32.4	Very low	34.6	Very low	150 Å²	150	133.1 Å²	133.1	80%	0.802	72%	0.717	S	S	*	*			trans	92.5	95	171.6	-55.9	-20.6	0	0	0	119.5
13	S	33.7	Very low	34.3	Very low	105 Å²	105	128.1 Å²	128.1	73%	0.734	72%	0.719	S	S	*	*			trans	85.1	95.6	131.8	-51.3	0	0	0	0	116.2
14	L	30.5	Very low	33.4	Very low	172 Å²	172	129.3 Å²	129.3	90%	0.901	73%	0.729	S	S	*	*				46.6	120.8	86.3	-76.1	158.2	0	0	0	112.7
15	E	30.5	Very low	32.5	Very low	184 Å²	184	133.4 Å²	133.4	86%	0.86	74%	0.741	S	S	*	*			trans	88.6	79.4	178	-54.5	-174.1	175	0	0	116.5
16	L	31.4	Very low	31.9	Very low	162 Å²	162	140.9 Å²	140.9	85%	0.848	76%	0.764	S	S	*	*			trans	-160.5	111.3	136.5	-128.3	89.2	0	0	0	109.5	V18	L16-V18 HydrophobicContact CD2-CG2 4.13Å; L16-V18 PolarHBondContact O-N 3.3Å
17	D	26.9	Very low	31.7	Very low	177 Å²	177	138.7 Å²	138.7	95%	0.947	77%	0.769	S	S	*	*			trans	-80.9	93.4	178.6	-139.2	-1.8	0	0	0	108.6
18	V	29.7	Very low	30.9	Very low	96 Å²	96	142.6 Å²	142.6	58%	0.582	78%	0.784	S	S	*	*			trans	-133.5	126.3	172.1	-177	0	0	0	0	107.3	L16 I20	L16-V18 HydrophobicContact CD2-CG2 4.13Å; L16-V18 PolarHBondContact O-N 3.3Å; V18-I20 PolarHBondContact O-N 3.17Å
19	P	29.6	Very low	30.1	Very low	119 Å²	119	140.3 Å²	140.3	77%	0.773	78%	0.78	S	S	*	*			trans	-65.8	123.6	-174.3	26.8	-32.2	0	0	0	109.7	P21	P19-P21 WeakPolarHBondContact O-CD 3.36Å
20	I	25.9	Very low	29.7	Very low	157 Å²	157	140.2 Å²	140.2	81%	0.805	78%	0.781	S	S	*	*			trans	-84.6	113.5	169.8	-59.5	169.1	0	0	0	107.4	V18 C22	V18-I20 PolarHBondContact O-N 3.17Å; I20-C22 PolarHBondContact O-N 3.49Å
21	P	28.7	Very low	29.4	Very low	87 Å²	87	144.8 Å²	144.8	57%	0.565	80%	0.798	S	S	*	*			trans	-82.1	104.2	163.7	-3	23.4	0	0	0	108.4	P19 F151	P19-P21 WeakPolarHBondContact O-CD 3.36Å; P21-F151 HydrophobicContact CB-CZ 4.49Å
22	C	27.7	Very low	29.2	Very low	112 Å²	112	143 Å²	143	76%	0.757	79%	0.793	S	S	*	*			trans	47.5	113.5	147	-58.8	0	0	0	0	119.3	I20 L24	I20-C22 PolarHBondContact O-N 3.49Å; C22-L24 PolarHBondContact O-N 2.92Å
23	A	27.8	Very low	29.3	Very low	98 Å²	98	141.9 Å²	141.9	81%	0.81	79%	0.787	S	S	*	*			trans	-43.2	125.9	160.5	0	0	0	0	0	112.8	N25	A23-N25 PolarHBondContact O-N 3.21Å
24	L	26.9	Very low	29.3	Very low	154 Å²	154	140.8 Å²	140.8	81%	0.806	78%	0.779	S	S	*	*			trans	-60.3	115.3	164.7	-95.9	85.9	0	0	0	108.9	C22	C22-L24 PolarHBondContact O-N 2.92Å
25	N	26	Very low	29.4	Very low	159 Å²	159	140.7 Å²	140.7	85%	0.85	77%	0.772	S	S	*	*			trans	-82.9	117.4	168.2	-142.3	4.7	0	0	0	107.6	A23 A27	A23-N25 PolarHBondContact O-N 3.21Å; N25-A27 PolarHBondContact O-N 3.03Å; N25-A27 VanDerWaalsContact O-N 3.11Å
26	W	27.4	Very low	29.6	Very low	241 Å²	241	133.8 Å²	133.8	91%	0.913	75%	0.75	S	S	*	*			trans	-80.4	86.5	-179.3	-70.1	60.2	0	0	0	109.5
27	A	30.2	Very low	29.7	Very low	76 Å²	76	130.5 Å²	130.5	63%	0.628	73%	0.733	S	S	*	*			trans	-157.8	79.1	168.5	0	0	0	0	0	109.2	N25	N25-A27 PolarHBondContact O-N 3.03Å; N25-A27 VanDerWaalsContact O-N 3.11Å
28	D	29.3	Very low	30.3	Very low	170 Å²	170	126.3 Å²	126.3	91%	0.909	71%	0.709	S	S	*	*			trans	-158.9	122.8	131.6	-95.4	-31.2	0	0	0	110.4
29	T	28.4	Very low	30.7	Very low	122 Å²	122	123.9 Å²	123.9	75%	0.748	70%	0.699	S	S	*	*			trans	-73.4	155	-172.1	15.3	0	0	0	0	112.5
30	D	29.5	Very low	30.9	Very low	147 Å²	147	121.9 Å²	121.9	79%	0.786	69%	0.687	S	S	*	*			trans	97.7	107.1	165.9	-56.7	-24.8	0	0	0	115
31	I	30.5	Very low	31.6	Very low	168 Å²	168	119.4 Å²	119.4	86%	0.862	67%	0.672	S	S	*	*	S	Bend	trans	160.8	-10.2	144.7	-77.9	154.6	0	0	0	112	N33	I31-N33 PolarHBondContact O-N 3.17Å
32	L	31	Very low	32.4	Very low	147 Å²	147	121.3 Å²	121.3	77%	0.77	67%	0.673	S	S	*	*	S	Bend	trans	-96.4	89.1	160.8	-85.3	158.9	0	0	0	109.6	S34 I37	L32-S34 PolarHBondContact O-N 3.27Å; L32-I37 HydrophobicContact CB-CD1 4.19Å
33	N	33.6	Very low	33	Very low	127 Å²	127	121.3 Å²	121.3	68%	0.679	67%	0.665	S	S	*	*			trans	-45.9	112.4	179	-139.2	-15.9	0	0	0	109.7	I31 K35 G36	I31-N33 PolarHBondContact O-N 3.17Å; N33-K35 PolarHBondContact O-N 2.97Å; N33-G36 PolarHBondContact O-N 3.37Å
34	S	32.8	Very low	33.5	Very low	81 Å²	81	122.3 Å²	122.3	57%	0.566	66%	0.656	S	S	*	*	H	α-helix	trans	-56	-18.3	-174.5	51.8	0	0	0	0	113.6	L32 I38	L32-S34 PolarHBondContact O-N 3.27Å; S34-I38 WeakPolarHBondContact O-CB 3.07Å; S34-I38 WeakPolarHBondContact O-CD1 3.27Å; S34-I38 WeakPolarHBondContact O-CG1 3.42Å; S34-I38 PolarHBondContact O-N 3.04Å
35	K	34.5	Very low	34.4	Very low	170 Å²	170	120.9 Å²	120.9	74%	0.739	64%	0.643	S	S	*	*	H	α-helix	trans	-69.4	-30.6	171.5	-69.3	-177.4	176.9	178	0	114.2	N33 A39	N33-K35 PolarHBondContact O-N 2.97Å; K35-A39 WeakPolarHBondContact O-CB 3.08Å; K35-A39 PolarHBondContact O-N 3.46Å; K35-A39 VanDerWaalsContact O-N 3.16Å
36	G	33.2	Very low	35.4	Very low	40 Å²	40	118.1 Å²	118.1	41%	0.412	63%	0.632	S	S	.	*	H	α-helix	trans	-74.4	-40.3	179.6	0	0	0	0	0	112.9	N33 A39 C40	N33-G36 PolarHBondContact O-N 3.37Å; G36-A39 PolarHBondContact O-N 3.14Å; G36-C40 PolarHBondContact O-N 3.35Å; G36-C40 VanDerWaalsContact O-N 3.16Å; G36-C40 PolarHBondContact O-SG 3.19Å; G36-C40 VanDerWaalsContact O-SG 3.38Å
37	I	34.9	Very low	36	Very low	93 Å²	93	117.2 Å²	117.2	48%	0.477	63%	0.629	S	S	.	*	H	α-helix	trans	-73.6	-38	179.1	-61.8	176.5	0	0	0	111	L32 A39 C40 E41	L32-I37 HydrophobicContact CB-CD1 4.19Å; I37-A39 VanDerWaalsContact C-N 3.35Å; I37-A39 PolarHBondContact O-N 3.48Å; I37-C40 PolarHBondContact O-N 3.18Å; I37-E41 PolarHBondContact O-N 3.24Å
38	I	39.7	Very low	36.6	Very low	89 Å²	89	121.5 Å²	121.5	46%	0.456	64%	0.636	S	S	.	*	H	α-helix	trans	-66.1	-36.2	174.4	-66.7	169.6	0	0	0	111.5	S34 E41 Q42	S34-I38 WeakPolarHBondContact O-CB 3.07Å; S34-I38 WeakPolarHBondContact O-CD1 3.27Å; S34-I38 WeakPolarHBondContact O-CG1 3.42Å; S34-I38 PolarHBondContact O-N 3.04Å; I38-E41 PolarHBondContact O-N 3.09Å; I38-Q42 WeakPolarHBondContact O-CG 3.39Å; I38-Q42 PolarHBondContact O-N 2.85Å
39	A	36.7	Very low	37.3	Very low	45 Å²	45	118.9 Å²	118.9	37%	0.372	62%	0.622	S	S	.	*	H	α-helix	trans	-64.6	-42.4	174.9	0	0	0	0	0	111.7	K35 G36 I37 Q42 I43	K35-A39 WeakPolarHBondContact O-CB 3.08Å; K35-A39 PolarHBondContact O-N 3.46Å; K35-A39 VanDerWaalsContact O-N 3.16Å; G36-A39 PolarHBondContact O-N 3.14Å; I37-A39 VanDerWaalsContact C-N 3.35Å; I37-A39 PolarHBondContact O-N 3.48Å; A39-Q42 PolarHBondContact O-N 2.79Å; A39-I43 WeakPolarHBondContact O-CD1 3.32Å; A39-I43 VanDerWaalsContact O-CG1 3.26Å; A39-I43 WeakPolarHBondContact O-CG1 3.28Å; A39-I43 PolarHBondContact O-N 3.37Å; A39-I43 VanDerWaalsContact O-N 3.12Å
40	C	33.3	Very low	37.7	Very low	77 Å²	77	117.2 Å²	117.2	52%	0.52	63%	0.629	S	S	.	*	H	α-helix	trans	-65.9	-38.1	175.2	-68.3	0	0	0	0	112.6	G36 I37 I43 L44	G36-C40 PolarHBondContact O-N 3.35Å; G36-C40 VanDerWaalsContact O-N 3.16Å; G36-C40 PolarHBondContact O-SG 3.19Å; G36-C40 VanDerWaalsContact O-SG 3.38Å; I37-C40 PolarHBondContact O-N 3.18Å; C40-I43 PolarHBondContact O-N 3.14Å; C40-L44 WeakPolarHBondContact O-CG 3.5Å; C40-L44 PolarHBondContact O-N 3.34Å; C40-L44 VanDerWaalsContact O-N 3.12Å
41	E	41.4	Very low	38.3	Very low	104 Å²	104	115.7 Å²	115.7	49%	0.486	62%	0.624	S	S	.	*	H	α-helix	trans	-67	-36	174.8	-87.9	-162.6	138.6	0	0	113.4	I37 I38 K45	I37-E41 PolarHBondContact O-N 3.24Å; I38-E41 PolarHBondContact O-N 3.09Å; E41-K45 WeakPolarHBondContact O-CB 3.47Å; E41-K45 WeakPolarHBondContact O-CG 3.4Å; E41-K45 PolarHBondContact O-N 2.8Å
42	Q	46.4	Very low	38.6	Very low	127 Å²	127	115.9 Å²	115.9	59%	0.593	63%	0.627	S	S	*	*	H	α-helix	trans	-68.9	-39.8	176.7	-75.5	-179.5	-9.5	0	0	111.8	I38 A39 L44 K45 T46	I38-Q42 WeakPolarHBondContact O-CG 3.39Å; I38-Q42 PolarHBondContact O-N 2.85Å; A39-Q42 PolarHBondContact O-N 2.79Å; Q42-L44 VanDerWaalsContact C-N 3.33Å; Q42-L44 PolarHBondContact O-N 2.92Å; Q42-K45 PolarHBondContact O-N 2.99Å; Q42-T46 PolarHBondContact O-N 3.24Å; Q42-T46 PolarHBondContact O-OG1 3.33Å
43	I	40.1	Very low	39	Very low	113 Å²	113	114 Å²	114	58%	0.579	62%	0.622	S	S	*	*	H	α-helix	trans	-63.3	-39.5	176.3	-68.1	165.6	0	0	0	111.1	A39 C40 T46 R47	A39-I43 WeakPolarHBondContact O-CD1 3.32Å; A39-I43 VanDerWaalsContact O-CG1 3.26Å; A39-I43 WeakPolarHBondContact O-CG1 3.28Å; A39-I43 PolarHBondContact O-N 3.37Å; A39-I43 VanDerWaalsContact O-N 3.12Å; C40-I43 PolarHBondContact O-N 3.14Å; I43-T46 PolarHBondContact O-OG1 3.24Å; I43-R47 PolarHBondContact O-N 2.7Å
44	L	38.2	Very low	39.4	Very low	118 Å²	118	113.4 Å²	113.4	62%	0.618	63%	0.625	S	S	*	*	H	α-helix	trans	-69.8	-38.5	176.3	-70.5	170.8	0	0	0	112.4	C40 Q42 R47	C40-L44 WeakPolarHBondContact O-CG 3.5Å; C40-L44 PolarHBondContact O-N 3.34Å; C40-L44 VanDerWaalsContact O-N 3.12Å; Q42-L44 VanDerWaalsContact C-N 3.33Å; Q42-L44 PolarHBondContact O-N 2.92Å; L44-R47 PolarHBondContact O-N 3.1Å
45	K	45.2	Very low	39.7	Very low	125 Å²	125	114.3 Å²	114.3	54%	0.543	62%	0.623	S	S	.	*	H	α-helix	trans	-70.6	-28	177.2	-77.4	173.1	-179.8	163.6	0	113.8	E41 Q42 R47	E41-K45 WeakPolarHBondContact O-CB 3.47Å; E41-K45 WeakPolarHBondContact O-CG 3.4Å; E41-K45 PolarHBondContact O-N 2.8Å; Q42-K45 PolarHBondContact O-N 2.99Å; K45-R47 VanDerWaalsContact C-N 3.3Å
46	T	46.6	Very low	39.9	Very low	101 Å²	101	110.4 Å²	110.4	62%	0.62	62%	0.615	S	S	*	*	H	α-helix	trans	-76.1	-17.1	173.5	42.2	0	0	0	0	113.5	Q42 I43	Q42-T46 PolarHBondContact O-N 3.24Å; Q42-T46 PolarHBondContact O-OG1 3.33Å; I43-T46 PolarHBondContact O-OG1 3.24Å
47	R	40.1	Very low	40	Very low	221 Å²	221	114.5 Å²	114.5	83%	0.834	63%	0.626	S	S	*	*	S	Bend	trans	-81.7	-16.3	178.4	-136.4	-179.5	-173.3	-173.5	3.5	113.7	I43 L44 K45	I43-R47 PolarHBondContact O-N 2.7Å; L44-R47 PolarHBondContact O-N 3.1Å; K45-R47 VanDerWaalsContact C-N 3.3Å
48	E	43.2	Very low	40.3	Very low	166 Å²	166	113.1 Å²	113.1	78%	0.776	63%	0.629	S	S	*	*	S	Bend	trans	-82.6	-13.9	176.3	-79.8	-177.3	149.5	0	0	113.8
49	N	43.9	Very low	40.2	Very low	116 Å²	116	115 Å²	115	62%	0.62	64%	0.636	S	S	*	*	S	Bend	trans	-106.7	92.2	179	-64.1	-42.6	0	0	0	109.1	V51	N49-V51 VanDerWaalsContact C-N 3.28Å; N49-V51 PolarHBondContact O-N 2.88Å
50	G	37	Very low	40.2	Very low	87 Å²	87	118.5 Å²	118.5	90%	0.897	64%	0.644	S	S	*	*			trans	-57.6	70.7	-171.5	0	0	0	0	0	116.9
51	V	41	Very low	40.5	Very low	114 Å²	114	116.9 Å²	116.9	69%	0.691	64%	0.636	S	S	*	*			trans	-112.3	115.3	170.5	-178.2	0	0	0	0	107.8	N49 V53	N49-V51 VanDerWaalsContact C-N 3.28Å; N49-V51 PolarHBondContact O-N 2.88Å; V51-V53 HydrophobicContact CG1-CG2 4.12Å; V51-V53 PolarHBondContact O-N 2.7Å; V51-V53 VanDerWaalsContact O-N 3.1Å
52	D	38.4	Very low	40.4	Very low	173 Å²	173	116 Å²	116	93%	0.925	65%	0.647	S	S	*	*			trans	-60.6	106.6	170.4	-84.5	-39.7	0	0	0	109.7
53	V	39	Very low	40.1	Very low	107 Å²	107	117 Å²	117	65%	0.648	65%	0.649	S	S	*	*			trans	-113.8	131.9	170.6	-179	0	0	0	0	107.7	V51 D55	V51-V53 HydrophobicContact CG1-CG2 4.12Å; V51-V53 PolarHBondContact O-N 2.7Å; V51-V53 VanDerWaalsContact O-N 3.1Å; V53-D55 PolarHBondContact O-N 3.01Å
54	P	42.8	Very low	40.3	Very low	115 Å²	115	112.9 Å²	112.9	75%	0.747	63%	0.63	S	S	*	*			trans	-55.3	134.7	-178.7	-19.1	29.4	0	0	0	110.6	P56	P54-P56 WeakPolarHBondContact O-CD 3.48Å
55	D	37.4	Very low	40.5	Very low	99 Å²	99	115.4 Å²	115.4	53%	0.529	64%	0.639	S	S	.	*			trans	-51.3	102.3	-172.3	-167.1	-5.9	0	0	0	112.1	V53 I57 A58	V53-D55 PolarHBondContact O-N 3.01Å; D55-I57 PolarHBondContact O-N 2.71Å; D55-I57 VanDerWaalsContact O-N 3.17Å; D55-I57 VanDerWaalsContact OD1-CB 3.28Å; D55-I57 WeakPolarHBondContact OD1-CB 3.36Å; D55-I57 PolarHBondContact OD1-N 3.41Å; D55-A58 HydrophobicContact CB-CB 4.34Å; D55-A58 PolarHBondContact O-N 3.25Å
56	P	39.2	Very low	40.2	Very low	88 Å²	88	119.1 Å²	119.1	57%	0.571	66%	0.655	S	S	*	*	H	α-helix	trans	-69.7	-12.1	-179.5	28.6	-30.7	0	0	0	110.9	P54 H60	P54-P56 WeakPolarHBondContact O-CD 3.48Å; P56-H60 WeakPolarHBondContact O-CB 3.39Å; P56-H60 PolarHBondContact O-N 3.02Å
57	I	36.1	Very low	40	Very low	127 Å²	127	118.5 Å²	118.5	65%	0.651	65%	0.651	S	S	*	*	H	α-helix	trans	-79	-36.9	179.9	-56	175.6	0	0	0	110.2	D55 A61	D55-I57 PolarHBondContact O-N 2.71Å; D55-I57 VanDerWaalsContact O-N 3.17Å; D55-I57 VanDerWaalsContact OD1-CB 3.28Å; D55-I57 WeakPolarHBondContact OD1-CB 3.36Å; D55-I57 PolarHBondContact OD1-N 3.41Å; I57-A61 WeakPolarHBondContact O-CB 3.26Å; I57-A61 PolarHBondContact O-N 3.3Å
58	A	40.5	Very low	40.3	Very low	63 Å²	63	112.1 Å²	112.1	52%	0.521	63%	0.63	S	S	.	*	H	α-helix	trans	-70	-39.5	178	0	0	0	0	0	112.9	D55 A62	D55-A58 HydrophobicContact CB-CB 4.34Å; D55-A58 PolarHBondContact O-N 3.25Å; A58-A62 PolarHBondContact O-N 3.47Å
59	E	36.7	Very low	40.2	Very low	129 Å²	129	108.3 Å²	108.3	60%	0.603	61%	0.614	S	S	*	*	H	α-helix	trans	-78	-28.3	178.7	-141.3	-164.3	147.1	0	0	112.6	K63	E59-K63 IonicContact OE1-NZ 3.27Å; E59-K63 PolarHBondContact OE1-NZ 2.99Å
60	H	38.3	Very low	40.1	Very low	119 Å²	119	104 Å²	104	55%	0.551	60%	0.595	S	S	*	*	H	α-helix	trans	-82.3	-28.1	175.8	-138.2	-50.7	0	0	0	112.2	P56 S64	P56-H60 WeakPolarHBondContact O-CB 3.39Å; P56-H60 PolarHBondContact O-N 3.02Å; H60-S64 WeakPolarHBondContact O-CB 3.45Å; H60-S64 PolarHBondContact O-N 3.48Å; H60-S64 VanDerWaalsContact O-N 3.16Å
61	A	38.4	Very low	40.7	Very low	43 Å²	43	106 Å²	106	36%	0.355	59%	0.585	S	S	.	*	H	α-helix	trans	-67.7	-46.1	174.3	0	0	0	0	0	112.3	I57 K63 S64 E65	I57-A61 WeakPolarHBondContact O-CB 3.26Å; I57-A61 PolarHBondContact O-N 3.3Å; A61-K63 VanDerWaalsContact C-N 3.27Å; A61-K63 PolarHBondContact O-N 3.03Å; A61-S64 PolarHBondContact O-N 3.27Å; A61-S64 VanDerWaalsContact O-N 3.11Å; A61-E65 PolarHBondContact O-N 3Å
62	A	39.8	Very low	40.9	Very low	86 Å²	86	107.6 Å²	107.6	71%	0.711	59%	0.585	S	S	*	*	H	α-helix	trans	-67.5	-22.7	179.6	0	0	0	0	0	114.3	A58	A58-A62 PolarHBondContact O-N 3.47Å
63	K	40.9	Very low	41.1	Very low	146 Å²	146	101.4 Å²	101.4	64%	0.635	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.8	-3.1	175.1	-71.9	169.8	-179.3	161.1	0	113.3	E59 A61 T67	E59-K63 IonicContact OE1-NZ 3.27Å; E59-K63 PolarHBondContact OE1-NZ 2.99Å; A61-K63 VanDerWaalsContact C-N 3.27Å; A61-K63 PolarHBondContact O-N 3.03Å; K63-T67 PolarHBondContact O-OG1 3.12Å
64	S	43.3	Very low	41.6	Very low	27 Å²	27	98.8 Å²	98.8	19%	0.189	54%	0.538	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-29.4	-170.4	160.1	0	0	0	0	114.3	H60 A61 K66 K68	H60-S64 WeakPolarHBondContact O-CB 3.45Å; H60-S64 PolarHBondContact O-N 3.48Å; H60-S64 VanDerWaalsContact O-N 3.16Å; A61-S64 PolarHBondContact O-N 3.27Å; A61-S64 VanDerWaalsContact O-N 3.11Å; S64-K66 VanDerWaalsContact C-N 3.27Å; S64-K66 PolarHBondContact O-N 3.3Å; S64-K68 VanDerWaalsContact CB-CE 3.46Å; S64-K68 VanDerWaalsContact CB-NZ 3.3Å; S64-K68 VanDerWaalsContact OG-CD 3.26Å; S64-K68 WeakPolarHBondContact OG-CD 3.34Å; S64-K68 WeakPolarHBondContact OG-CE 3.32Å; S64-K68 PolarHBondContact OG-NZ 3.37Å
65	E	42.5	Very low	42	Very low	171 Å²	171	100.6 Å²	100.6	80%	0.799	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-5.4	-169	-78	-179.7	155.9	0	0	115.4	A61	A61-E65 PolarHBondContact O-N 3Å
66	K	40	Very low	42.4	Very low	204 Å²	204	102.7 Å²	102.7	89%	0.887	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.1	-2.9	-177.9	-69.9	-174.9	177.9	-179.5	0	115.7	S64	S64-K66 VanDerWaalsContact C-N 3.27Å; S64-K66 PolarHBondContact O-N 3.3Å
67	T	41.7	Very low	42.7	Very low	88 Å²	88	102 Å²	102	54%	0.54	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.7	-3	-167.1	43.3	0	0	0	0	115.7	K63	K63-T67 PolarHBondContact O-OG1 3.12Å
68	K	46.4	Very low	43.3	Very low	86 Å²	86	100.4 Å²	100.4	37%	0.374	52%	0.52	S	S	.	.	S	Bend	trans	-90.1	-18.3	-171.9	-74.5	-172.5	-179	169.5	0	116.9	S64 D71 Q72	S64-K68 VanDerWaalsContact CB-CE 3.46Å; S64-K68 VanDerWaalsContact CB-NZ 3.3Å; S64-K68 VanDerWaalsContact OG-CD 3.26Å; S64-K68 WeakPolarHBondContact OG-CD 3.34Å; S64-K68 WeakPolarHBondContact OG-CE 3.32Å; S64-K68 PolarHBondContact OG-NZ 3.37Å; K68-D71 PolarHBondContact O-N 2.93Å; K68-Q72 WeakPolarHBondContact O-CG 3.39Å; K68-Q72 PolarHBondContact O-N 3.21Å; K68-Q72 VanDerWaalsContact O-N 3.14Å
69	L	41.3	Very low	43.9	Very low	86 Å²	86	101.5 Å²	101.5	45%	0.45	52%	0.517	S	S	.	.	H	α-helix	trans	-72.3	-37.3	179.6	-144.7	82.3	0	0	0	111.8	D71 Q72 I73 I99	L69-D71 PolarHBondContact O-N 3.3Å; L69-Q72 PolarHBondContact O-N 3.13Å; L69-I73 WeakPolarHBondContact O-CG1 3.45Å; L69-I73 PolarHBondContact O-N 3.44Å; L69-I99 HydrophobicContact CD1-CD1 4.03Å; L69-I99 HydrophobicContact CD1-CG1 4.43Å; L69-I99 HydrophobicContact CD2-CG1 4.18Å
70	A	41.3	Very low	44.3	Very low	27 Å²	27	99.7 Å²	99.7	22%	0.223	51%	0.506	C	S	.	.	H	α-helix	trans	-60.4	-29.2	175.5	0	0	0	0	0	113	R78 I95	A70-R78 VanDerWaalsContact O-CZ 3.26Å; A70-R78 PolarHBondContact O-NH2 3.16Å; A70-I95 HydrophobicContact CB-CG2 3.65Å
71	D	48.8	Very low	44.6	Very low	129 Å²	129	96.3 Å²	96.3	69%	0.69	49%	0.491	S	S	*	.	H	α-helix	trans	-90.9	-21.4	179.6	-71	-21.3	0	0	0	113.1	K68 L69	K68-D71 PolarHBondContact O-N 2.93Å; L69-D71 PolarHBondContact O-N 3.3Å
72	Q	46.4	Very low	45.1	Very low	146 Å²	146	96.4 Å²	96.4	68%	0.682	49%	0.492	S	S	*	.	H	α-helix	trans	-85.3	-19.9	176.4	-79.7	178.2	-18.7	0	0	113.8	K68 L69 S74	K68-Q72 WeakPolarHBondContact O-CG 3.39Å; K68-Q72 PolarHBondContact O-N 3.21Å; K68-Q72 VanDerWaalsContact O-N 3.14Å; L69-Q72 PolarHBondContact O-N 3.13Å; Q72-S74 PolarHBondContact O-N 3.1Å
73	I	43.4	Very low	45.8	Very low	44 Å²	44	98.7 Å²	98.7	23%	0.226	49%	0.492	C	S	.	.	S	Bend	trans	-77.1	107.6	172.4	-62.5	168.8	0	0	0	108.2	L69 V77 R78	L69-I73 WeakPolarHBondContact O-CG1 3.45Å; L69-I73 PolarHBondContact O-N 3.44Å; I73-V77 HydrophobicContact CG2-CB 3.72Å; I73-V77 HydrophobicContact CG2-CG1 3.7Å; I73-R78 HydrophobicContact CG2-CB 4.39Å; I73-R78 HydrophobicContact CG2-CG 3.95Å; I73-R78 PolarHBondContact O-NE 3.33Å; I73-R78 PolarHBondContact O-NH2 3.47Å
74	S	49.4	Very low	46	Very low	51 Å²	51	95 Å²	95	36%	0.357	48%	0.477	S	S	.	.			trans	-50.1	146.6	176.2	-173.7	0	0	0	0	110.3	Q72 E76 V77 R78	Q72-S74 PolarHBondContact O-N 3.1Å; S74-E76 PolarHBondContact O-N 3.19Å; S74-E76 VanDerWaalsContact O-N 3.13Å; S74-E76 PolarHBondContact OG-OE2 3.12Å; S74-V77 WeakPolarHBondContact O-CA 3.43Å; S74-V77 PolarHBondContact O-N 2.6Å; S74-R78 PolarHBondContact O-N 2.83Å
75	K	51.3	Low	45.9	Very low	153 Å²	153	98.8 Å²	98.8	67%	0.665	49%	0.491	S	S	*	.	H	α-helix	trans	-54.5	-31.9	175	-165	176.5	-179.1	-179	0	111.2	N79	K75-N79 WeakPolarHBondContact O-CB 3.09Å; K75-N79 PolarHBondContact O-N 3Å; K75-N79 PolarHBondContact O-ND2 2.97Å; K75-N79 PolarHBondContact O-OD1 3.33Å
76	E	45.1	Very low	45.8	Very low	143 Å²	143	92.6 Å²	92.6	67%	0.668	47%	0.472	S	S	*	.	H	α-helix	trans	-64.5	-41.8	172.8	-65.3	103.2	-156	0	0	112.8	S74 N79 Y80	S74-E76 PolarHBondContact O-N 3.19Å; S74-E76 VanDerWaalsContact O-N 3.13Å; S74-E76 PolarHBondContact OG-OE2 3.12Å; E76-N79 PolarHBondContact O-N 3.4Å; E76-Y80 VanDerWaalsContact O-CB 3.23Å; E76-Y80 WeakPolarHBondContact O-CB 3.48Å; E76-Y80 PolarHBondContact O-N 3.49Å
77	V	45	Very low	46	Very low	73 Å²	73	93.1 Å²	93.1	44%	0.442	48%	0.475	S	S	.	.	H	α-helix	trans	-71.7	-36.7	179.1	-179.1	0	0	0	0	110.6	I73 S74 Y80 L81	I73-V77 HydrophobicContact CG2-CB 3.72Å; I73-V77 HydrophobicContact CG2-CG1 3.7Å; S74-V77 WeakPolarHBondContact O-CA 3.43Å; S74-V77 PolarHBondContact O-N 2.6Å; V77-Y80 PolarHBondContact O-N 3.05Å; V77-L81 HydrophobicContact CG1-CD1 4.03Å; V77-L81 HydrophobicContact CG1-CG 4.42Å; V77-L81 WeakPolarHBondContact O-CB 3.42Å; V77-L81 WeakPolarHBondContact O-CG 3.28Å; V77-L81 PolarHBondContact O-N 3.35Å
78	R	49.5	Very low	45.7	Very low	95 Å²	95	91.7 Å²	91.7	36%	0.358	46%	0.463	S	S	.	.	H	α-helix	trans	-62.9	-44.8	172.1	-108.2	-179.7	-71.5	-167.2	-8.8	112.4	A70 I73 S74 L81 A82	A70-R78 VanDerWaalsContact O-CZ 3.26Å; A70-R78 PolarHBondContact O-NH2 3.16Å; I73-R78 HydrophobicContact CG2-CB 4.39Å; I73-R78 HydrophobicContact CG2-CG 3.95Å; I73-R78 PolarHBondContact O-NE 3.33Å; I73-R78 PolarHBondContact O-NH2 3.47Å; S74-R78 PolarHBondContact O-N 2.83Å; R78-L81 PolarHBondContact O-N 3.17Å; R78-A82 VanDerWaalsContact O-CB 3.3Å; R78-A82 WeakPolarHBondContact O-CB 3.32Å; R78-A82 PolarHBondContact O-N 3.49Å
79	N	53.4	Low	45.6	Very low	85 Å²	85	92.9 Å²	92.9	46%	0.455	48%	0.48	S	S	.	.	H	α-helix	trans	-67.4	-39.7	177.2	-69.1	-12.5	0	0	0	111.2	K75 E76 A82 D83	K75-N79 WeakPolarHBondContact O-CB 3.09Å; K75-N79 PolarHBondContact O-N 3Å; K75-N79 PolarHBondContact O-ND2 2.97Å; K75-N79 PolarHBondContact O-OD1 3.33Å; E76-N79 PolarHBondContact O-N 3.4Å; N79-A82 PolarHBondContact O-N 3.29Å; N79-D83 WeakPolarHBondContact O-CB 3.19Å; N79-D83 PolarHBondContact O-N 3.11Å
80	Y	44.5	Very low	46	Very low	92 Å²	92	94.5 Å²	94.5	36%	0.361	49%	0.485	S	S	.	.	H	α-helix	trans	-60.5	-46.9	173.7	-174.7	-92.6	0	0	0	111.5	E76 V77 A82 D83 E84 E259	E76-Y80 VanDerWaalsContact O-CB 3.23Å; E76-Y80 WeakPolarHBondContact O-CB 3.48Å; E76-Y80 PolarHBondContact O-N 3.49Å; V77-Y80 PolarHBondContact O-N 3.05Å; Y80-A82 VanDerWaalsContact C-N 3.33Å; Y80-A82 PolarHBondContact O-N 2.95Å; Y80-D83 PolarHBondContact O-N 3.17Å; Y80-E84 HydrophobicContact CD1-CG 4.32Å; Y80-E84 HydrophobicContact CD2-CG 4.48Å; Y80-E84 HydrophobicContact CE1-CG 4.02Å; Y80-E84 HydrophobicContact CE2-CG 4.21Å; Y80-E84 WeakPolarHBondContact O-CB 3.2Å; Y80-E84 WeakPolarHBondContact O-CG 3.44Å; Y80-E84 PolarHBondContact O-N 3.39Å; Y80-E259 WeakPolarHBondContact OH-CB 3.26Å; Y80-E259 PolarHBondContact OH-OE2 3.17Å
81	L	43.5	Very low	46.2	Very low	48 Å²	48	95.4 Å²	95.4	25%	0.251	49%	0.486	S	S	.	.	H	α-helix	trans	-65	-35.3	175.7	-69.5	168.5	0	0	0	112.3	V77 R78 F85 L91	V77-L81 HydrophobicContact CG1-CD1 4.03Å; V77-L81 HydrophobicContact CG1-CG 4.42Å; V77-L81 WeakPolarHBondContact O-CB 3.42Å; V77-L81 WeakPolarHBondContact O-CG 3.28Å; V77-L81 PolarHBondContact O-N 3.35Å; R78-L81 PolarHBondContact O-N 3.17Å; L81-F85 HydrophobicContact CD2-CD2 4.01Å; L81-F85 HydrophobicContact CD2-CE2 3.74Å; L81-F85 WeakPolarHBondContact O-CB 3.11Å; L81-F85 WeakPolarHBondContact O-CD2 3.37Å; L81-F85 PolarHBondContact O-N 3.16Å; L81-F85 VanDerWaalsContact O-N 3.11Å; L81-L91 HydrophobicContact CB-CD1 4.34Å; L81-L91 HydrophobicContact CB-CD2 4.48Å
82	A	50.3	Low	46.2	Very low	45 Å²	45	95.1 Å²	95.1	37%	0.372	48%	0.484	S	S	.	.	H	α-helix	trans	-72.5	-35.2	177.5	0	0	0	0	0	113.4	R78 N79 Y80 G86	R78-A82 VanDerWaalsContact O-CB 3.3Å; R78-A82 WeakPolarHBondContact O-CB 3.32Å; R78-A82 PolarHBondContact O-N 3.49Å; N79-A82 PolarHBondContact O-N 3.29Å; Y80-A82 VanDerWaalsContact C-N 3.33Å; Y80-A82 PolarHBondContact O-N 2.95Å; A82-G86 PolarHBondContact O-N 3.38Å
83	D	54.3	Low	46.4	Very low	134 Å²	134	91.3 Å²	91.3	72%	0.717	47%	0.471	S	S	*	.	H	α-helix	trans	-73.7	-35.6	176.9	-76.1	-18.5	0	0	0	111.5	N79 Y80	N79-D83 WeakPolarHBondContact O-CB 3.19Å; N79-D83 PolarHBondContact O-N 3.11Å; Y80-D83 PolarHBondContact O-N 3.17Å
84	E	45.1	Very low	46.4	Very low	68 Å²	68	92.2 Å²	92.2	32%	0.318	48%	0.476	S	S	.	.	H	α-helix	trans	-90.3	-28.4	-172.8	-64.7	-60.5	171.3	0	0	114.9	Y80 E259 R263	Y80-E84 HydrophobicContact CD1-CG 4.32Å; Y80-E84 HydrophobicContact CD2-CG 4.48Å; Y80-E84 HydrophobicContact CE1-CG 4.02Å; Y80-E84 HydrophobicContact CE2-CG 4.21Å; Y80-E84 WeakPolarHBondContact O-CB 3.2Å; Y80-E84 WeakPolarHBondContact O-CG 3.44Å; Y80-E84 PolarHBondContact O-N 3.39Å; E84-E259 WeakPolarHBondContact CB-OE2 3.14Å; E84-E259 VanDerWaalsContact CD-CD 3.44Å; E84-E259 WeakPolarHBondContact CG-OE2 3.33Å; E84-R263 IonicContact OE1-CZ 2.72Å; E84-R263 IonicContact OE1-NH2 2.99Å; E84-R263 PolarHBondContact OE1-NH2 3.34Å; E84-R263 IonicContact OE2-NH2 2.8Å; E84-R263 PolarHBondContact OE2-NH2 3.39Å
85	F	40.2	Very low	46.4	Very low	107 Å²	107	92.6 Å²	92.6	47%	0.469	47%	0.474	S	S	.	.	H	α-helix	trans	-99.4	-3.1	178.9	-70.4	-82.9	0	0	0	112.7	L81 I88	L81-F85 HydrophobicContact CD2-CD2 4.01Å; L81-F85 HydrophobicContact CD2-CE2 3.74Å; L81-F85 WeakPolarHBondContact O-CB 3.11Å; L81-F85 WeakPolarHBondContact O-CD2 3.37Å; L81-F85 PolarHBondContact O-N 3.16Å; L81-F85 VanDerWaalsContact O-N 3.11Å; F85-I88 HydrophobicContact CB-CD1 3.64Å; F85-I88 HydrophobicContact CB-CG1 3.96Å; F85-I88 HydrophobicContact CD1-CD1 4.14Å; F85-I88 HydrophobicContact CG-CD1 4.34Å; F85-I88 WeakPolarHBondContact O-CD1 3.45Å; F85-I88 WeakPolarHBondContact O-CG1 3.39Å
86	G	42	Very low	46.2	Very low	40 Å²	40	90.9 Å²	90.9	41%	0.412	48%	0.476	S	S	.	.			trans	64.3	-173.8	-172	0	0	0	0	0	111.6	A82 I88	A82-G86 PolarHBondContact O-N 3.38Å; G86-I88 PolarHBondContact O-N 3.19Å
87	K	42.7	Very low	46.4	Very low	215 Å²	215	86.3 Å²	86.3	94%	0.935	46%	0.455	S	S	*	.	S	Bend	trans	-67.1	77.8	172	-71.3	-178.7	179.7	178.9	0	109.4	P89	K87-P89 VanDerWaalsContact O-CD 3.3Å; K87-P89 WeakPolarHBondContact O-CD 3.36Å
88	I	36.6	Very low	46.7	Very low	58 Å²	58	87.6 Å²	87.6	30%	0.297	46%	0.459	S	S	.	.			trans	-83.1	118.4	165.2	-41.1	-165.6	0	0	0	106.8	F85 G86 E90 L91	F85-I88 HydrophobicContact CB-CD1 3.64Å; F85-I88 HydrophobicContact CB-CG1 3.96Å; F85-I88 HydrophobicContact CD1-CD1 4.14Å; F85-I88 HydrophobicContact CG-CD1 4.34Å; F85-I88 WeakPolarHBondContact O-CD1 3.45Å; F85-I88 WeakPolarHBondContact O-CG1 3.39Å; G86-I88 PolarHBondContact O-N 3.19Å; I88-E90 HydrophobicContact CB-CB 4.32Å; I88-E90 HydrophobicContact CG2-CB 3.41Å; I88-E90 VanDerWaalsContact CG2-CB 3.41Å; I88-E90 HydrophobicContact CG2-CG 3.5Å; I88-E90 VanDerWaalsContact CG2-OE2 3.24Å; I88-E90 WeakPolarHBondContact CG2-OE2 3.29Å; I88-E90 PolarHBondContact O-N 3.39Å; I88-L91 PolarHBondContact O-N 3.47Å; I88-L91 VanDerWaalsContact O-N 3.16Å
89	P	43.3	Very low	46.5	Very low	112 Å²	112	86.8 Å²	86.8	73%	0.727	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-4.7	167.3	-19.6	32.6	0	0	0	113.2	K87 T93	K87-P89 VanDerWaalsContact O-CD 3.3Å; K87-P89 WeakPolarHBondContact O-CD 3.36Å; P89-T93 PolarHBondContact O-OG1 3.41Å; P89-T93 VanDerWaalsContact O-OG1 3.07Å
90	E	50.7	Low	46.2	Very low	119 Å²	119	87.7 Å²	87.7	56%	0.556	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-12.3	-178.1	-56.6	161.2	-175.7	0	0	113	I88 T93 L94	I88-E90 HydrophobicContact CB-CB 4.32Å; I88-E90 HydrophobicContact CG2-CB 3.41Å; I88-E90 VanDerWaalsContact CG2-CB 3.41Å; I88-E90 HydrophobicContact CG2-CG 3.5Å; I88-E90 VanDerWaalsContact CG2-OE2 3.24Å; I88-E90 WeakPolarHBondContact CG2-OE2 3.29Å; I88-E90 PolarHBondContact O-N 3.39Å; E90-T93 WeakPolarHBondContact CA-OG1 3.37Å; E90-T93 CarbonylContact O-C 3.59Å; E90-T93 WeakPolarHBondContact O-CA 3.44Å; E90-T93 WeakPolarHBondContact O-CB 3.46Å; E90-T93 PolarHBondContact O-N 2.77Å; E90-L94 WeakPolarHBondContact O-CB 3.41Å; E90-L94 WeakPolarHBondContact O-CG 3.37Å; E90-L94 PolarHBondContact O-N 3.18Å
91	L	44	Very low	46.7	Very low	47 Å²	47	88.6 Å²	88.6	25%	0.246	47%	0.471	C	S	.	.	H	α-helix	trans	-69.4	-41.1	177.8	-169.2	68.9	0	0	0	111.2	L81 I88 T93 L94 I95	L81-L91 HydrophobicContact CB-CD1 4.34Å; L81-L91 HydrophobicContact CB-CD2 4.48Å; I88-L91 PolarHBondContact O-N 3.47Å; I88-L91 VanDerWaalsContact O-N 3.16Å; L91-T93 PolarHBondContact O-N 3.14Å; L91-L94 PolarHBondContact O-N 3.28Å; L91-I95 HydrophobicContact CG-CD1 4.22Å; L91-I95 WeakPolarHBondContact O-CB 3.43Å; L91-I95 WeakPolarHBondContact O-CD1 3.12Å; L91-I95 WeakPolarHBondContact O-CG1 3.44Å; L91-I95 PolarHBondContact O-N 3.42Å
92	D	48.5	Very low	46.9	Very low	122 Å²	122	87.4 Å²	87.4	65%	0.652	47%	0.468	S	S	*	.	H	α-helix	trans	-64.9	-30.2	170.6	-74.5	-28.3	0	0	0	111.6	T96	D92-T96 WeakPolarHBondContact O-CG2 3.1Å; D92-T96 PolarHBondContact O-N 3.03Å; D92-T96 PolarHBondContact O-OG1 2.89Å
93	T	52.4	Low	46.8	Very low	66 Å²	66	88 Å²	88	41%	0.405	46%	0.463	S	S	.	.	H	α-helix	trans	-72.1	-42.2	173.6	-37.7	0	0	0	0	111.3	P89 E90 L91 I95 T96 M97	P89-T93 PolarHBondContact O-OG1 3.41Å; P89-T93 VanDerWaalsContact O-OG1 3.07Å; E90-T93 WeakPolarHBondContact CA-OG1 3.37Å; E90-T93 CarbonylContact O-C 3.59Å; E90-T93 WeakPolarHBondContact O-CA 3.44Å; E90-T93 WeakPolarHBondContact O-CB 3.46Å; E90-T93 PolarHBondContact O-N 2.77Å; L91-T93 PolarHBondContact O-N 3.14Å; T93-I95 VanDerWaalsContact C-N 3.31Å; T93-I95 PolarHBondContact O-N 3.06Å; T93-T96 WeakPolarHBondContact CA-OG1 3.34Å; T93-T96 CarbonylContact O-C 3.38Å; T93-T96 PolarHBondContact O-N 3.3Å; T93-T96 PolarHBondContact O-OG1 3.33Å; T93-M97 HydrophobicContact CG2-CG 4.48Å; T93-M97 HydrophobicContact CG2-SD 4.13Å; T93-M97 WeakPolarHBondContact O-CB 3.49Å; T93-M97 WeakPolarHBondContact O-CG 3.18Å; T93-M97 PolarHBondContact O-N 3.33Å
94	L	43.7	Very low	47.1	Very low	64 Å²	64	88 Å²	88	34%	0.335	46%	0.457	S	S	.	.	H	α-helix	trans	-66.3	-32.4	175.7	-86.7	154.8	0	0	0	112	E90 L91 T96 A102	E90-L94 WeakPolarHBondContact O-CB 3.41Å; E90-L94 WeakPolarHBondContact O-CG 3.37Å; E90-L94 PolarHBondContact O-N 3.18Å; L91-L94 PolarHBondContact O-N 3.28Å; L94-T96 VanDerWaalsContact C-N 3.27Å; L94-A102 HydrophobicContact CD2-CB 3.68Å
95	I	48.8	Very low	47.7	Very low	59 Å²	59	88.4 Å²	88.4	30%	0.303	46%	0.46	S	S	.	.	H	α-helix	trans	-70.5	-24.9	172.9	-69.6	163.6	0	0	0	111.4	A70 L91 T93	A70-I95 HydrophobicContact CB-CG2 3.65Å; L91-I95 HydrophobicContact CG-CD1 4.22Å; L91-I95 WeakPolarHBondContact O-CB 3.43Å; L91-I95 WeakPolarHBondContact O-CD1 3.12Å; L91-I95 WeakPolarHBondContact O-CG1 3.44Å; L91-I95 PolarHBondContact O-N 3.42Å; T93-I95 VanDerWaalsContact C-N 3.31Å; T93-I95 PolarHBondContact O-N 3.06Å
96	T	47.8	Very low	48.3	Very low	117 Å²	117	87 Å²	87	72%	0.718	46%	0.457	S	S	*	.	H	α-helix	trans	-99.2	-12.2	178.8	45.7	0	0	0	0	114.1	D92 T93 L94	D92-T96 WeakPolarHBondContact O-CG2 3.1Å; D92-T96 PolarHBondContact O-N 3.03Å; D92-T96 PolarHBondContact O-OG1 2.89Å; T93-T96 WeakPolarHBondContact CA-OG1 3.34Å; T93-T96 CarbonylContact O-C 3.38Å; T93-T96 PolarHBondContact O-N 3.3Å; T93-T96 PolarHBondContact O-OG1 3.33Å; L94-T96 VanDerWaalsContact C-N 3.27Å
97	M	48.3	Very low	48.7	Very low	46 Å²	46	87.8 Å²	87.8	23%	0.227	46%	0.46	C	S	.	.	S	Bend	trans	-79.8	149.7	176.8	-77.6	171.1	72.2	0	0	111.8	T93 E101 L105	T93-M97 HydrophobicContact CG2-CG 4.48Å; T93-M97 HydrophobicContact CG2-SD 4.13Å; T93-M97 WeakPolarHBondContact O-CB 3.49Å; T93-M97 WeakPolarHBondContact O-CG 3.18Å; T93-M97 PolarHBondContact O-N 3.33Å; M97-E101 HydrophobicContact CB-CB 4.3Å; M97-E101 HydrophobicContact CE-CB 3.59Å; M97-E101 HydrophobicContact CE-CG 4.05Å; M97-L105 HydrophobicContact CE-CD1 3.4Å; M97-L105 VanDerWaalsContact CE-CD1 3.4Å; M97-L105 HydrophobicContact CE-CG 4.15Å; M97-L105 HydrophobicContact SD-CD1 4Å
98	N	50.3	Low	49.7	Very low	100 Å²	100	81.9 Å²	81.9	54%	0.535	44%	0.435	S	S	.	.			trans	-63.8	149.3	172.3	-169.2	5.8	0	0	0	109.7	E100 E101 A102	N98-E100 PolarHBondContact O-N 3.1Å; N98-E100 VanDerWaalsContact O-N 3.17Å; N98-E101 HydrophobicContact CB-CB 4.49Å; N98-E101 WeakPolarHBondContact O-CA 3.23Å; N98-E101 WeakPolarHBondContact O-CB 3.49Å; N98-E101 PolarHBondContact O-N 2.81Å; N98-A102 PolarHBondContact O-N 3.14Å
99	I	46.6	Very low	50.7	Low	78 Å²	78	82.4 Å²	82.4	40%	0.4	44%	0.437	S	S	.	.	H	α-helix	trans	-51.8	-43	-178.4	-64.7	172.7	0	0	0	110.7	L69 E101 A102 E103	L69-I99 HydrophobicContact CD1-CD1 4.03Å; L69-I99 HydrophobicContact CD1-CG1 4.43Å; L69-I99 HydrophobicContact CD2-CG1 4.18Å; I99-E101 VanDerWaalsContact C-N 3.28Å; I99-E101 PolarHBondContact O-N 3.29Å; I99-A102 PolarHBondContact O-N 3.33Å; I99-E103 HydrophobicContact CG2-CG 4.21Å; I99-E103 WeakPolarHBondContact O-CB 3.37Å; I99-E103 VanDerWaalsContact O-CG 3.31Å; I99-E103 WeakPolarHBondContact O-CG 3.46Å; I99-E103 PolarHBondContact O-N 3.48Å
100	E	47	Very low	50.9	Low	104 Å²	104	80 Å²	80	49%	0.486	42%	0.417	S	S	.	.	H	α-helix	trans	-64.1	-33.1	-179.9	-61.8	-173.4	156.2	0	0	113.1	N98 K104 R246	N98-E100 PolarHBondContact O-N 3.1Å; N98-E100 VanDerWaalsContact O-N 3.17Å; E100-K104 WeakPolarHBondContact O-CB 3.39Å; E100-K104 PolarHBondContact O-N 3.5Å; E100-R246 IonicContact OE1-CZ 2.86Å; E100-R246 IonicContact OE1-NH1 3.08Å; E100-R246 PolarHBondContact OE1-NH1 2.9Å; E100-R246 VanDerWaalsContact OE1-NH1 3.11Å; E100-R246 IonicContact OE1-NH2 2.59Å
101	E	55.2	Low	51.1	Low	112 Å²	112	82.4 Å²	82.4	52%	0.523	42%	0.421	S	S	.	.	H	α-helix	trans	-75.1	-40.2	178.2	-109.9	177.9	-164.3	0	0	111	M97 N98 I99 K104 L105	M97-E101 HydrophobicContact CB-CB 4.3Å; M97-E101 HydrophobicContact CE-CB 3.59Å; M97-E101 HydrophobicContact CE-CG 4.05Å; N98-E101 HydrophobicContact CB-CB 4.49Å; N98-E101 WeakPolarHBondContact O-CA 3.23Å; N98-E101 WeakPolarHBondContact O-CB 3.49Å; N98-E101 PolarHBondContact O-N 2.81Å; I99-E101 VanDerWaalsContact C-N 3.28Å; I99-E101 PolarHBondContact O-N 3.29Å; E101-K104 PolarHBondContact O-N 2.82Å; E101-L105 PolarHBondContact O-N 3.4Å; E101-L105 VanDerWaalsContact O-N 3.1Å
102	A	47.6	Very low	51.9	Low	23 Å²	23	86.3 Å²	86.3	19%	0.19	43%	0.433	C	S	.	.	H	α-helix	trans	-65.5	-43.7	173.6	0	0	0	0	0	111.8	L94 N98 I99 K104 L105 L106	L94-A102 HydrophobicContact CD2-CB 3.68Å; N98-A102 PolarHBondContact O-N 3.14Å; I99-A102 PolarHBondContact O-N 3.33Å; A102-K104 PolarHBondContact O-N 3.19Å; A102-L105 PolarHBondContact O-N 2.87Å; A102-L106 WeakPolarHBondContact O-CB 3.29Å; A102-L106 PolarHBondContact O-N 3.38Å
103	E	47.6	Very low	52	Low	58 Å²	58	85 Å²	85	27%	0.271	42%	0.421	S	S	.	.	H	α-helix	trans	-60.8	-43.5	175.6	-77.2	176.9	168	0	0	111.8	I99 L106 A107 L250	I99-E103 HydrophobicContact CG2-CG 4.21Å; I99-E103 WeakPolarHBondContact O-CB 3.37Å; I99-E103 VanDerWaalsContact O-CG 3.31Å; I99-E103 WeakPolarHBondContact O-CG 3.46Å; I99-E103 PolarHBondContact O-N 3.48Å; E103-L106 PolarHBondContact O-N 3Å; E103-A107 VanDerWaalsContact O-CB 3.31Å; E103-A107 WeakPolarHBondContact O-CB 3.33Å; E103-A107 PolarHBondContact O-N 3.19Å; E103-L250 HydrophobicContact CG-CD2 4.48Å; E103-L250 VanDerWaalsContact OE1-CD1 3.24Å; E103-L250 WeakPolarHBondContact OE1-CD1 3.48Å
104	K	61.4	Low	51.8	Low	134 Å²	134	89.1 Å²	89.1	58%	0.583	44%	0.44	S	S	*	.	H	α-helix	trans	-63.6	-44.7	178.3	-172.2	-179.6	177.5	-173.3	0	112	E100 E101 A102 A107 E108	E100-K104 WeakPolarHBondContact O-CB 3.39Å; E100-K104 PolarHBondContact O-N 3.5Å; E101-K104 PolarHBondContact O-N 2.82Å; A102-K104 PolarHBondContact O-N 3.19Å; K104-A107 PolarHBondContact O-N 2.99Å; K104-E108 WeakPolarHBondContact O-CB 3.39Å; K104-E108 PolarHBondContact O-N 2.85Å
105	L	57.1	Low	52.1	Low	76 Å²	76	93 Å²	93	40%	0.398	46%	0.456	S	S	.	.	H	α-helix	trans	-63.8	-42.3	175.7	-77	-175.8	0	0	0	111.9	M97 E101 A102 E108 E109	M97-L105 HydrophobicContact CE-CD1 3.4Å; M97-L105 VanDerWaalsContact CE-CD1 3.4Å; M97-L105 HydrophobicContact CE-CG 4.15Å; M97-L105 HydrophobicContact SD-CD1 4Å; E101-L105 PolarHBondContact O-N 3.4Å; E101-L105 VanDerWaalsContact O-N 3.1Å; A102-L105 PolarHBondContact O-N 2.87Å; L105-E108 PolarHBondContact O-N 2.84Å; L105-E109 VanDerWaalsContact O-CB 3.28Å; L105-E109 WeakPolarHBondContact O-CB 3.3Å; L105-E109 PolarHBondContact O-N 2.92Å
106	L	53.4	Low	52.2	Low	78 Å²	78	93.4 Å²	93.4	41%	0.408	46%	0.464	S	S	.	.	H	α-helix	trans	-62.6	-43.9	177.4	-156.9	89.6	0	0	0	110.9	A102 E103 E109 L110	A102-L106 WeakPolarHBondContact O-CB 3.29Å; A102-L106 PolarHBondContact O-N 3.38Å; E103-L106 PolarHBondContact O-N 3Å; L106-E109 PolarHBondContact O-N 2.78Å; L106-L110 HydrophobicContact CD2-CD1 4.39Å; L106-L110 HydrophobicContact CG-CD1 4.41Å; L106-L110 WeakPolarHBondContact O-CB 3.41Å; L106-L110 WeakPolarHBondContact O-CG 3.35Å; L106-L110 PolarHBondContact O-N 3.46Å
107	A	50.3	Low	51.8	Low	55 Å²	55	91 Å²	91	46%	0.455	46%	0.463	S	S	.	.	H	α-helix	trans	-64.8	-40.9	177	0	0	0	0	0	112.5	E103 K104 R111	E103-A107 VanDerWaalsContact O-CB 3.31Å; E103-A107 WeakPolarHBondContact O-CB 3.33Å; E103-A107 PolarHBondContact O-N 3.19Å; K104-A107 PolarHBondContact O-N 2.99Å; A107-R111 WeakPolarHBondContact O-CB 3.27Å; A107-R111 PolarHBondContact O-N 3.39Å
108	E	63.2	Low	51.3	Low	92 Å²	92	96 Å²	96	43%	0.43	49%	0.486	S	S	.	.	H	α-helix	trans	-68.4	-39.2	175.3	-87.1	173.8	-178.9	0	0	112.6	K104 L105 R111 R112	K104-E108 WeakPolarHBondContact O-CB 3.39Å; K104-E108 PolarHBondContact O-N 2.85Å; L105-E108 PolarHBondContact O-N 2.84Å; E108-R111 PolarHBondContact O-N 3.44Å; E108-R112 WeakPolarHBondContact O-CB 3.48Å; E108-R112 PolarHBondContact O-N 3.16Å
109	E	57	Low	50.5	Low	69 Å²	69	96 Å²	96	32%	0.322	48%	0.481	S	S	.	.	H	α-helix	trans	-67.4	-41.4	176.1	-171.1	62.2	-146.3	0	0	111.1	L105 L106 R112 K113	L105-E109 VanDerWaalsContact O-CB 3.28Å; L105-E109 WeakPolarHBondContact O-CB 3.3Å; L105-E109 PolarHBondContact O-N 2.92Å; L106-E109 PolarHBondContact O-N 2.78Å; E109-R112 PolarHBondContact O-N 3.4Å; E109-R112 IonicContact OE1-NH1 3.77Å; E109-R112 IonicContact OE2-CZ 3.75Å; E109-R112 IonicContact OE2-NH1 2.76Å; E109-R112 PolarHBondContact OE2-NH1 3.33Å; E109-R112 IonicContact OE2-NH2 2.64Å; E109-R112 PolarHBondContact OE2-NH2 3.22Å; E109-K113 WeakPolarHBondContact O-CB 3.21Å; E109-K113 WeakPolarHBondContact O-CG 3.5Å; E109-K113 PolarHBondContact O-N 3.1Å; E109-K113 VanDerWaalsContact OE1-CE 3.28Å; E109-K113 WeakPolarHBondContact OE1-CE 3.34Å
110	L	47.1	Very low	49.8	Very low	60 Å²	60	98 Å²	98	31%	0.314	50%	0.497	S	S	.	.	H	α-helix	trans	-62.2	-43	172.9	-74.6	170.1	0	0	0	111.3	L106 K113 L114 T253 T257	L106-L110 HydrophobicContact CD2-CD1 4.39Å; L106-L110 HydrophobicContact CG-CD1 4.41Å; L106-L110 WeakPolarHBondContact O-CB 3.41Å; L106-L110 WeakPolarHBondContact O-CG 3.35Å; L106-L110 PolarHBondContact O-N 3.46Å; L110-K113 PolarHBondContact O-N 2.94Å; L110-L114 WeakPolarHBondContact O-CB 2.8Å; L110-L114 PolarHBondContact O-N 3.03Å; L110-T253 HydrophobicContact CD1-CG2 4.09Å; L110-T257 HydrophobicContact CD1-CG2 3.86Å; L110-T257 HydrophobicContact CD2-CG2 3.56Å; L110-T257 HydrophobicContact CG-CG2 4.36Å
111	R	56.1	Low	49.1	Very low	171 Å²	171	96.4 Å²	96.4	65%	0.645	50%	0.496	S	S	*	.	H	α-helix	trans	-58.8	-49.4	173.2	-123.7	-175.5	-174.7	117.8	1.1	111.5	A107 E108 K113 L114 E115	A107-R111 WeakPolarHBondContact O-CB 3.27Å; A107-R111 PolarHBondContact O-N 3.39Å; E108-R111 PolarHBondContact O-N 3.44Å; R111-K113 PolarHBondContact O-N 2.9Å; R111-L114 PolarHBondContact O-N 2.79Å; R111-E115 WeakPolarHBondContact O-CB 3.17Å; R111-E115 VanDerWaalsContact O-CG 3.25Å; R111-E115 WeakPolarHBondContact O-CG 3.35Å; R111-E115 PolarHBondContact O-N 3.06Å
112	R	60.2	Low	48.1	Very low	129 Å²	129	97.2 Å²	97.2	49%	0.487	51%	0.511	S	S	.	.	H	α-helix	trans	-61	-40.7	178	-87.4	-168.9	-80.7	120.1	3	112.4	E108 E109 E115 S116	E108-R112 WeakPolarHBondContact O-CB 3.48Å; E108-R112 PolarHBondContact O-N 3.16Å; E109-R112 PolarHBondContact O-N 3.4Å; E109-R112 IonicContact OE1-NH1 3.77Å; E109-R112 IonicContact OE2-CZ 3.75Å; E109-R112 IonicContact OE2-NH1 2.76Å; E109-R112 PolarHBondContact OE2-NH1 3.33Å; E109-R112 IonicContact OE2-NH2 2.64Å; E109-R112 PolarHBondContact OE2-NH2 3.22Å; R112-E115 PolarHBondContact O-N 3.39Å; R112-S116 WeakPolarHBondContact O-CB 3.4Å; R112-S116 PolarHBondContact O-N 3Å; R112-S116 PolarHBondContact O-OG 3.44Å
113	K	50.1	Low	47.2	Very low	93 Å²	93	103.4 Å²	103.4	40%	0.404	54%	0.539	S	S	.	.	H	α-helix	trans	-71.8	-32.5	177.6	-74.5	-173.1	177.2	178.8	0	112.8	E109 L110 R111	E109-K113 WeakPolarHBondContact O-CB 3.21Å; E109-K113 WeakPolarHBondContact O-CG 3.5Å; E109-K113 PolarHBondContact O-N 3.1Å; E109-K113 VanDerWaalsContact OE1-CE 3.28Å; E109-K113 WeakPolarHBondContact OE1-CE 3.34Å; L110-K113 PolarHBondContact O-N 2.94Å; R111-K113 PolarHBondContact O-N 2.9Å
114	L	48.4	Very low	46.2	Very low	154 Å²	154	108.4 Å²	108.4	81%	0.806	56%	0.563	S	S	*	*	H	α-helix	trans	-68.9	-42.9	172	-130.5	95.6	0	0	0	111.5	L110 R111	L110-L114 WeakPolarHBondContact O-CB 2.8Å; L110-L114 PolarHBondContact O-N 3.03Å; R111-L114 PolarHBondContact O-N 2.79Å
115	E	50.5	Low	44.7	Very low	144 Å²	144	109.6 Å²	109.6	67%	0.673	58%	0.575	S	S	*	*	H	α-helix	trans	-77.5	-31.1	-175.4	-72	170.1	-174.3	0	0	113.3	R111 R112	R111-E115 WeakPolarHBondContact O-CB 3.17Å; R111-E115 VanDerWaalsContact O-CG 3.25Å; R111-E115 WeakPolarHBondContact O-CG 3.35Å; R111-E115 PolarHBondContact O-N 3.06Å; R112-E115 PolarHBondContact O-N 3.39Å
116	S	51.6	Low	43.3	Very low	68 Å²	68	110.9 Å²	110.9	48%	0.476	59%	0.59	S	S	.	*	S	Bend	trans	-83	-9.5	-177.6	59.6	0	0	0	0	114.8	R112 Q118	R112-S116 WeakPolarHBondContact O-CB 3.4Å; R112-S116 PolarHBondContact O-N 3Å; R112-S116 PolarHBondContact O-OG 3.44Å; S116-Q118 PolarHBondContact O-N 3.42Å
117	G	38.4	Very low	42.3	Very low	67 Å²	67	113.1 Å²	113.1	69%	0.691	61%	0.609	S	S	*	*			trans	60.1	6.4	-179.1	0	0	0	0	0	115.2	F119	G117-F119 PolarHBondContact O-N 3Å; G117-F119 VanDerWaalsContact O-N 3.09Å
118	Q	38.3	Very low	41.5	Very low	150 Å²	150	116.9 Å²	116.9	70%	0.701	62%	0.621	S	S	*	*			trans	-85.9	77.4	-178.1	-79.4	-173.5	-8.8	0	0	110.9	S116	S116-Q118 PolarHBondContact O-N 3.42Å
119	F	34.3	Very low	40	Very low	101 Å²	101	121.6 Å²	121.6	44%	0.443	64%	0.643	S	S	.	*			trans	-103.6	73	168.7	-125.8	-109.3	0	0	0	109.7	G117 S262 K266	G117-F119 PolarHBondContact O-N 3Å; G117-F119 VanDerWaalsContact O-N 3.09Å; F119-S262 WeakPolarHBondContact CE1-OG 3.22Å; F119-S262 WeakPolarHBondContact CZ-OG 3.34Å; F119-K266 VanDerWaalsContact C-CE 3.45Å; F119-K266 HydrophobicContact CD1-CD 3.33Å; F119-K266 HydrophobicContact CD1-CG 3.39Å; F119-K266 HydrophobicContact CE1-CD 3.55Å; F119-K266 HydrophobicContact CE1-CG 3.87Å; F119-K266 HydrophobicContact CG-CD 4.42Å; F119-K266 VanDerWaalsContact O-CE 3.28Å; F119-K266 WeakPolarHBondContact O-CE 3.44Å
120	V	30.9	Very low	39.2	Very low	119 Å²	119	127.8 Å²	127.8	72%	0.721	66%	0.664	S	S	*	*			trans	-89.3	128.4	177	-174.1	0	0	0	0	110	K266	V120-K266 PolarHBondContact O-NZ 3.11Å
121	P	32.5	Very low	38.6	Very low	72 Å²	72	129.5 Å²	129.5	47%	0.468	68%	0.681	S	S	.	*			trans	-114	142.9	169.8	28.1	-14	0	0	0	113.9	K266	P121-K266 HydrophobicContact CB-CD 3.76Å; P121-K266 HydrophobicContact CG-CB 4.11Å; P121-K266 HydrophobicContact CG-CD 3.77Å; P121-K266 HydrophobicContact CG-CG 4.1Å
122	P	34.3	Very low	37.6	Very low	129 Å²	129	128 Å²	128	84%	0.838	69%	0.694	S	S	*	*			trans	-80.2	141.2	160.5	-8.3	26.3	0	0	0	112.7
123	L	28.8	Very low	36.6	Very low	152 Å²	152	125.6 Å²	125.6	80%	0.796	71%	0.709	S	S	*	*			trans	-47.1	160.8	164	-66	148	0	0	0	112
124	E	27.2	Very low	35.8	Very low	163 Å²	163	129.3 Å²	129.3	76%	0.762	73%	0.728	S	S	*	*			cis	-174.4	133.3	13.8	-121.9	170.4	-151.6	0	0	104.6
125	L	28.4	Very low	35.1	Very low	160 Å²	160	126.2 Å²	126.2	84%	0.838	72%	0.717	S	S	*	*			trans	-151	132.4	158.5	-79.2	-177.3	0	0	0	110.3
126	S	27.3	Very low	34.3	Very low	102 Å²	102	122.4 Å²	122.4	71%	0.713	71%	0.705	S	S	*	*			trans	-72.8	161.2	-165.4	28.4	0	0	0	0	116
127	P	32.9	Very low	33.6	Very low	125 Å²	125	124.8 Å²	124.8	81%	0.812	72%	0.719	S	S	*	*			trans	-68.1	135.3	179.3	-13.6	28.4	0	0	0	112.6	E129	P127-E129 PolarHBondContact O-N 2.9Å
128	I	34.9	Very low	33.6	Very low	135 Å²	135	128.6 Å²	128.6	69%	0.692	72%	0.717	S	S	*	*			trans	-77.6	112.9	170.1	-62.5	169.8	0	0	0	108.1	Y130	I128-Y130 HydrophobicContact CG2-CD2 4.44Å; I128-Y130 HydrophobicContact CG2-CE1 4.49Å; I128-Y130 HydrophobicContact CG2-CE2 4.06Å
129	E	30.7	Very low	33.6	Very low	191 Å²	191	127.2 Å²	127.2	89%	0.893	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-74.4	119.6	168.6	-69.3	-179.4	168	0	0	109.8	P127	P127-E129 PolarHBondContact O-N 2.9Å
130	Y	40.2	Very low	33.5	Very low	199 Å²	199	133 Å²	133	78%	0.78	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-91.7	132.5	164.9	-69.8	-80.5	0	0	0	109.3	I128	I128-Y130 HydrophobicContact CG2-CD2 4.44Å; I128-Y130 HydrophobicContact CG2-CE1 4.49Å; I128-Y130 HydrophobicContact CG2-CE2 4.06Å
131	S	34.6	Very low	33.7	Very low	96 Å²	96	130.2 Å²	130.2	67%	0.671	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-65.3	142.1	177	-55.4	0	0	0	0	111.5	G133	S131-G133 PolarHBondContact O-N 2.86Å
132	P	35.8	Very low	33.9	Very low	139 Å²	139	131.2 Å²	131.2	90%	0.903	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	122.6	178.2	-16.2	28.1	0	0	0	110.7
133	G	37.8	Very low	33.8	Very low	79 Å²	79	134.1 Å²	134.1	81%	0.814	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	118.1	1.2	169.7	0	0	0	0	0	117.7	S131	S131-G133 PolarHBondContact O-N 2.86Å
134	Q	33.6	Very low	34.1	Very low	170 Å²	170	133.2 Å²	133.2	79%	0.794	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-104	121.9	166.4	-84.8	-169.7	-77	0	0	111.1
135	P	34.3	Very low	34.4	Very low	89 Å²	89	130.4 Å²	130.4	58%	0.578	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-64.6	136.7	165.8	26.8	-30.7	0	0	0	108.9
136	P	33.9	Very low	34.6	Very low	64 Å²	64	125.7 Å²	125.7	42%	0.416	68%	0.676	S	S	.	*	P	Polyproline II helix	trans	-58.6	143	173.2	22.3	-29.1	0	0	0	109.5	F138	P136-F138 PolarHBondContact O-N 2.91Å
137	P	36.9	Very low	35.1	Very low	118 Å²	118	125.2 Å²	125.2	77%	0.766	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	21.1	-167.6	24	-31.5	0	0	0	116.1
138	F	38.7	Very low	35.3	Very low	148 Å²	148	124.5 Å²	124.5	65%	0.649	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.7	6.1	-169.8	-61	-72.7	0	0	0	115.1	P136 R140	P136-F138 PolarHBondContact O-N 2.91Å; F138-R140 VanDerWaalsContact C-N 3.33Å; F138-R140 PolarHBondContact O-N 3.18Å
139	E	37.9	Very low	35.5	Very low	121 Å²	121	122 Å²	122	57%	0.565	65%	0.646	S	S	*	*	S	Bend	trans	-72.2	-12.9	-174.1	-74.3	-176.6	165.1	0	0	115.8
140	R	32.2	Very low	35.7	Very low	223 Å²	223	117.8 Å²	117.8	84%	0.842	63%	0.627	S	S	*	*	S	Bend	trans	-84.4	-32.1	-179.9	-76.8	-175.2	-175.9	162.7	2	114.9	F138 I142	F138-R140 VanDerWaalsContact C-N 3.33Å; F138-R140 PolarHBondContact O-N 3.18Å; R140-I142 VanDerWaalsContact C-N 3.32Å; R140-I142 PolarHBondContact O-N 3.3Å
141	S	35.9	Very low	35.3	Very low	59 Å²	59	114.2 Å²	114.2	41%	0.413	62%	0.615	S	S	.	*	H	α-helix	trans	-81.3	-8	-172.9	67	0	0	0	0	114.6	N145	S141-N145 PolarHBondContact O-ND2 3.07Å
142	I	34.7	Very low	35.3	Very low	93 Å²	93	114.2 Å²	114.2	48%	0.477	61%	0.611	S	S	.	*	H	α-helix	trans	-83	-25.3	-172	-60.2	175.8	0	0	0	111.9	R140	R140-I142 VanDerWaalsContact C-N 3.32Å; R140-I142 PolarHBondContact O-N 3.3Å
143	Y	33.5	Very low	35.3	Very low	191 Å²	191	110.5 Å²	110.5	75%	0.749	59%	0.592	S	S	*	*	H	α-helix	trans	-94	-29.1	-179.5	-74.3	-81.3	0	0	0	113.8	T147	Y143-T147 PolarHBondContact O-OG1 3.48Å
144	E	34.2	Very low	35.3	Very low	133 Å²	133	114.7 Å²	114.7	62%	0.621	59%	0.591	S	S	*	*	H	α-helix	trans	-73.5	-37.2	-178.8	-71.7	170.1	168.8	0	0	112.2	A146 T147	E144-A146 VanDerWaalsContact C-N 3.28Å; E144-A146 PolarHBondContact O-N 3.3Å; E144-T147 PolarHBondContact O-OG1 2.87Å
145	N	33.6	Very low	35.2	Very low	103 Å²	103	110.7 Å²	110.7	55%	0.551	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	-10.2	179.8	-68.2	-56.8	0	0	0	114.6	S141	S141-N145 PolarHBondContact O-ND2 3.07Å
146	A	33.7	Very low	35.1	Very low	61 Å²	61	110 Å²	110	50%	0.504	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.2	-17.8	-179.2	0	0	0	0	0	113	E144	E144-A146 VanDerWaalsContact C-N 3.28Å; E144-A146 PolarHBondContact O-N 3.3Å
147	T	36.3	Very low	34.7	Very low	92 Å²	92	112.6 Å²	112.6	56%	0.564	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	-28.1	-177.5	-0.7	0	0	0	0	112.3	Y143 E144 L149	Y143-T147 PolarHBondContact O-OG1 3.48Å; E144-T147 PolarHBondContact O-OG1 2.87Å; T147-L149 PolarHBondContact O-N 2.82Å
148	D	37.2	Very low	34.5	Very low	110 Å²	110	114 Å²	114	59%	0.588	59%	0.586	S	S	*	*	H	α-helix	trans	-75.7	-21.7	-178	-65.5	-27.2	0	0	0	114
149	L	38.9	Very low	33.9	Very low	82 Å²	82	111.9 Å²	111.9	43%	0.429	59%	0.589	S	S	.	*	H	α-helix	trans	-84.3	-25.3	-177.7	-92.9	129.4	0	0	0	114.4	T147 F151 A153	T147-L149 PolarHBondContact O-N 2.82Å; L149-F151 VanDerWaalsContact C-N 3.28Å; L149-A153 PolarHBondContact O-N 3.29Å
150	E	35.9	Very low	33.5	Very low	103 Å²	103	114.3 Å²	114.3	48%	0.481	61%	0.606	S	S	.	*	H	α-helix	trans	-68.7	-30.8	169.8	-84.2	172	-173.8	0	0	110.6	E154 K398	E150-E154 PolarHBondContact O-N 3.5Å; E150-K398 IonicContact OE1-NZ 3.6Å; E150-K398 PolarHBondContact OE1-NZ 3.23Å
151	F	32.1	Very low	33.3	Very low	124 Å²	124	108.6 Å²	108.6	54%	0.544	60%	0.595	S	S	.	*	H	α-helix	trans	-70.5	-31.2	176.8	-161.4	-97.8	0	0	0	113.7	P21 L149 N155	P21-F151 HydrophobicContact CB-CZ 4.49Å; L149-F151 VanDerWaalsContact C-N 3.28Å; F151-N155 WeakPolarHBondContact CD1-ND2 3.2Å; F151-N155 VanDerWaalsContact CD2-ND2 3.29Å; F151-N155 WeakPolarHBondContact CD2-ND2 3.45Å; F151-N155 WeakPolarHBondContact CE1-ND2 3.04Å; F151-N155 VanDerWaalsContact CE2-ND2 3.3Å; F151-N155 WeakPolarHBondContact CE2-ND2 3.38Å; F151-N155 WeakPolarHBondContact CG-ND2 3.24Å; F151-N155 WeakPolarHBondContact CZ-ND2 3.05Å; F151-N155 VanDerWaalsContact O-CB 3.29Å; F151-N155 WeakPolarHBondContact O-CB 3.25Å; F151-N155 PolarHBondContact O-N 3.32Å; F151-N155 PolarHBondContact O-ND2 3.07Å
152	V	34.6	Very low	32.9	Very low	96 Å²	96	112.9 Å²	112.9	58%	0.582	61%	0.614	S	S	*	*	H	α-helix	trans	-80.3	-31.1	179	178.6	0	0	0	0	111.9	T156	V152-T156 PolarHBondContact O-OG1 3.14Å; V152-T156 VanDerWaalsContact O-OG1 3.06Å
153	A	35.9	Very low	32.5	Very low	62 Å²	62	114.6 Å²	114.6	51%	0.512	63%	0.633	S	S	.	*	H	α-helix	trans	-77.3	-33.2	177.8	0	0	0	0	0	113.3	L149 M391	L149-A153 PolarHBondContact O-N 3.29Å; A153-M391 HydrophobicContact CB-CE 4.49Å
154	E	36.5	Very low	32.1	Very low	166 Å²	166	111.5 Å²	111.5	78%	0.776	64%	0.636	S	S	*	*	H	α-helix	trans	-85.8	-21.6	-179.8	-73.8	-175.1	157.4	0	0	114.1	E150	E150-E154 PolarHBondContact O-N 3.5Å
155	N	32	Very low	31.7	Very low	86 Å²	86	114.6 Å²	114.6	46%	0.46	65%	0.647	S	S	.	*	S	Bend	trans	-102.2	17	-174.4	-66.3	-53.4	0	0	0	115.2	F151 P157	F151-N155 WeakPolarHBondContact CD1-ND2 3.2Å; F151-N155 VanDerWaalsContact CD2-ND2 3.29Å; F151-N155 WeakPolarHBondContact CD2-ND2 3.45Å; F151-N155 WeakPolarHBondContact CE1-ND2 3.04Å; F151-N155 VanDerWaalsContact CE2-ND2 3.3Å; F151-N155 WeakPolarHBondContact CE2-ND2 3.38Å; F151-N155 WeakPolarHBondContact CG-ND2 3.24Å; F151-N155 WeakPolarHBondContact CZ-ND2 3.05Å; F151-N155 VanDerWaalsContact O-CB 3.29Å; F151-N155 WeakPolarHBondContact O-CB 3.25Å; F151-N155 PolarHBondContact O-N 3.32Å; F151-N155 PolarHBondContact O-ND2 3.07Å; N155-P157 WeakPolarHBondContact O-CD 3.25Å
156	T	31.7	Very low	31.6	Very low	76 Å²	76	118 Å²	118	47%	0.466	66%	0.66	S	S	.	*			trans	-102.2	104.4	171.7	-44.2	0	0	0	0	110.2	V152 L158	V152-T156 PolarHBondContact O-OG1 3.14Å; V152-T156 VanDerWaalsContact O-OG1 3.06Å; T156-L158 PolarHBondContact O-N 3.16Å; T156-L158 VanDerWaalsContact O-N 3.1Å
157	P	26.2	Very low	31.4	Very low	118 Å²	118	123.2 Å²	123.2	77%	0.766	67%	0.674	S	S	*	*			trans	-78.2	101	179.4	30.8	-31.1	0	0	0	109.9	N155	N155-P157 WeakPolarHBondContact O-CD 3.25Å
158	L	32.6	Very low	30.9	Very low	148 Å²	148	126 Å²	126	78%	0.775	69%	0.685	S	S	*	*			trans	-119.9	74.5	157.7	-72.7	173.9	0	0	0	108.6	T156 L160	T156-L158 PolarHBondContact O-N 3.16Å; T156-L158 VanDerWaalsContact O-N 3.1Å; L158-L160 PolarHBondContact O-N 2.88Å
159	S	26.5	Very low	30.4	Very low	102 Å²	102	126.3 Å²	126.3	71%	0.713	69%	0.694	S	S	*	*			trans	-80.7	108.8	164.9	175	0	0	0	0	109
160	L	29.8	Very low	29.7	Very low	173 Å²	173	131.4 Å²	131.4	91%	0.906	71%	0.714	S	S	*	*			trans	-137.1	99.1	150.9	-103.2	157.9	0	0	0	107.4	L158	L158-L160 PolarHBondContact O-N 2.88Å
161	T	27.3	Very low	29.1	Very low	102 Å²	102	133.9 Å²	133.9	63%	0.626	73%	0.729	S	S	*	*			trans	-64	161.5	169.9	41.7	0	0	0	0	112
162	D	27	Very low	29	Very low	150 Å²	150	132.7 Å²	132.7	80%	0.802	74%	0.741	S	S	*	*			trans	101.2	87.4	164.1	-53.5	-26.9	0	0	0	117.3
163	C	26.1	Very low	28.6	Very low	129 Å²	129	135.8 Å²	135.8	87%	0.872	76%	0.755	S	S	*	*				-167.5	142.9	120.4	-104.6	0	0	0	0	112
164	P	26.5	Very low	28.2	Very low	125 Å²	125	138.1 Å²	138.1	81%	0.812	77%	0.765	S	S	*	*			trans	-88	166	-162.8	36.3	-36.7	0	0	0	115.2
165	K	26	Very low	27.9	Very low	198 Å²	198	135.9 Å²	135.9	86%	0.861	76%	0.762	S	S	*	*			trans	-62.4	165.7	179.1	-62.5	172.6	177.2	176.1	0	114.1
166	E	30.9	Very low	28	Very low	174 Å²	174	139.9 Å²	139.9	81%	0.813	78%	0.779	S	S	*	*			trans	112.7	121	169.6	-68.9	-177	-160.6	0	0	111.3
167	Q	30.2	Very low	28	Very low	172 Å²	172	145.3 Å²	145.3	80%	0.804	80%	0.801	S	S	*	*			cis	-156.3	155.7	30.8	-100.2	150.5	29.8	0	0	111.3
168	D	24.3	Very low	28.2	Very low	151 Å²	151	143.1 Å²	143.1	81%	0.807	80%	0.799	S	S	*	*			trans	-52.8	148.6	171	-63.6	-61.6	0	0	0	114.5
169	C	27.7	Very low	28.3	Very low	115 Å²	115	142.7 Å²	142.7	78%	0.777	80%	0.802	S	S	*	*				166.9	118.1	115.1	-81.3	0	0	0	0	114.2
170	F	24.9	Very low	28.5	Very low	190 Å²	190	146.5 Å²	146.5	83%	0.833	81%	0.809	S	S	*	*			trans	42.1	111.2	135.8	-78.2	-90	0	0	0	123.2
171	I	23.2	Very low	28.8	Very low	155 Å²	155	143.5 Å²	143.5	80%	0.795	80%	0.8	S	S	*	*				26.2	116.7	123.1	-47	173.4	0	0	0	118.4
172	A	28.3	Very low	29.1	Very low	98 Å²	98	142.1 Å²	142.1	81%	0.81	81%	0.806	S	S	*	*				166.3	149.1	114.7	0	0	0	0	0	112.7
173	N	26.5	Very low	29.5	Very low	161 Å²	161	140 Å²	140	86%	0.861	81%	0.809	S	S	*	*			trans	-61.6	164.1	-167.7	-85.8	-25.9	0	0	0	118.3
174	P	28.4	Very low	30	Very low	112 Å²	112	138.6 Å²	138.6	73%	0.727	81%	0.807	S	S	*	*			trans	-97.4	147.5	-175.1	37.9	-30.5	0	0	0	113.2
175	T	30.5	Very low	30.3	Very low	118 Å²	118	138.2 Å²	138.2	72%	0.724	80%	0.802	S	S	*	*			trans	-153.2	135.4	164.3	-56	0	0	0	0	111.7
176	E	33.4	Very low	30.8	Very low	171 Å²	171	135.5 Å²	135.5	80%	0.799	80%	0.797	S	S	*	*			trans	76.6	103.6	158.3	-77.5	159.6	-150.3	0	0	118.9
177	M	30.9	Very low	31.1	Very low	190 Å²	190	132.8 Å²	132.8	94%	0.936	79%	0.793	S	S	*	*				77.3	109.3	81.6	-76.6	-95.1	-76.3	0	0	114.1
178	G	30.7	Very low	31.4	Very low	71 Å²	71	134.1 Å²	134.1	73%	0.732	80%	0.796	S	S	*	*			trans	123.8	107.8	138.1	0	0	0	0	0	119.3
179	V	34.3	Very low	32	Very low	139 Å²	139	132 Å²	132	84%	0.842	79%	0.791	S	S	*	*			trans	86.3	93.2	137.3	-164.2	0	0	0	0	119.7
180	E	32.6	Very low	32.3	Very low	182 Å²	182	135.1 Å²	135.1	85%	0.85	80%	0.798	S	S	*	*				39.6	153.5	125.3	-78.7	-92.4	133.9	0	0	124.1
181	P	36.1	Very low	32.7	Very low	111 Å²	111	128.8 Å²	128.8	72%	0.721	79%	0.786	S	S	*	*			trans	-114.2	172.7	-140.6	42.8	-33.8	0	0	0	115.3
182	G	33.4	Very low	33.1	Very low	73 Å²	73	129 Å²	129	75%	0.753	79%	0.789	S	S	*	*			trans	-163	103.2	173.5	0	0	0	0	0	114.9
183	A	34.3	Very low	33.5	Very low	105 Å²	105	130.9 Å²	130.9	87%	0.868	79%	0.79	S	S	*	*			trans	28.1	127.9	143.4	0	0	0	0	0	121.2
184	A	36.4	Very low	33.9	Very low	100 Å²	100	127.5 Å²	127.5	83%	0.826	79%	0.785	S	S	*	*				175.7	146.7	99.9	0	0	0	0	0	112.5
185	T	34.4	Very low	34	Very low	116 Å²	116	126.9 Å²	126.9	71%	0.712	79%	0.789	S	S	*	*			trans	-62.7	152.4	-179.4	43.7	0	0	0	0	115
186	D	36.1	Very low	34.3	Very low	141 Å²	141	131.2 Å²	131.2	75%	0.754	80%	0.801	S	S	*	*				169	122.8	109.5	-89.2	-33.5	0	0	0	116.1
187	T	37.1	Very low	34.2	Very low	117 Å²	117	130.3 Å²	130.3	72%	0.718	80%	0.802	S	S	*	*				79.2	95.5	123.8	-44.8	0	0	0	0	122.9
188	K	35.7	Very low	34.5	Very low	200 Å²	200	127 Å²	127	87%	0.87	80%	0.797	S	S	*	*				62	149.3	127.9	-89.6	-174	175.6	176.4	0	125.2
189	P	37.4	Very low	34.6	Very low	108 Å²	108	132 Å²	132	70%	0.701	80%	0.801	S	S	*	*			trans	-110.2	179.7	-168.4	44.3	-33.2	0	0	0	114.4
190	I	34.2	Very low	34.5	Very low	179 Å²	179	133.1 Å²	133.1	92%	0.918	80%	0.803	S	S	*	*			trans	168.4	141.4	158.9	-84.6	144.7	0	0	0	104.9
191	G	32.8	Very low	34.7	Very low	58 Å²	58	129.4 Å²	129.4	60%	0.598	80%	0.795	S	S	*	*			cis	162.4	144.5	6.7	0	0	0	0	0	107.7
192	D	31.8	Very low	34.4	Very low	160 Å²	160	134.1 Å²	134.1	86%	0.856	80%	0.798	S	S	*	*			trans	58.2	132.8	155.2	-56.3	-33.6	0	0	0	122.7
193	V	35.6	Very low	34.5	Very low	137 Å²	137	136.9 Å²	136.9	83%	0.83	80%	0.803	S	S	*	*				170.4	117.1	105.3	164.1	0	0	0	0	112
194	A	35	Very low	34.3	Very low	90 Å²	90	136.9 Å²	136.9	74%	0.744	79%	0.788	S	S	*	*			trans	43.4	112.6	139	0	0	0	0	0	124.2
195	A	30.9	Very low	34.2	Very low	99 Å²	99	140.8 Å²	140.8	82%	0.818	79%	0.794	S	S	*	*				32.3	126.1	120.7	0	0	0	0	0	122.1
196	Q	37.3	Very low	34	Very low	209 Å²	209	139.5 Å²	139.5	98%	0.977	79%	0.79	S	S	*	*			trans	-146.3	141.6	137.2	-93.2	-169.3	-25.7	0	0	111.6
197	D	30.7	Very low	33.9	Very low	152 Å²	152	139.2 Å²	139.2	81%	0.813	79%	0.793	S	S	*	*			trans	-106.8	144	-166.9	-170.3	13.7	0	0	0	109.9
198	S	38.1	Very low	33.8	Very low	120 Å²	120	144.8 Å²	144.8	84%	0.839	80%	0.801	S	S	*	*			trans	-165.3	137.8	156.5	54.3	0	0	0	0	112.4
199	Q	32.9	Very low	33.8	Very low	176 Å²	176	140 Å²	140	82%	0.822	78%	0.783	S	S	*	*			trans	-88.3	157.5	-162.7	-58.6	173.7	-49.8	0	0	115
200	D	31.7	Very low	33.8	Very low	162 Å²	162	137.4 Å²	137.4	87%	0.866	77%	0.768	S	S	*	*			trans	-169.8	158.7	130.4	-110.5	-10.1	0	0	0	112.5
201	P	36.6	Very low	34	Very low	105 Å²	105	133.9 Å²	133.9	68%	0.682	76%	0.756	S	S	*	*			trans	-129.4	146.5	-138.6	35.1	-14.9	0	0	0	118.3
202	R	29.2	Very low	34.5	Very low	209 Å²	209	135.2 Å²	135.2	79%	0.789	76%	0.756	S	S	*	*			trans	56	154.8	139.9	-85.5	-169.9	-163.2	-156.1	15.7	121.9	D204	R202-D204 IonicContact CZ-OD2 2.78Å; R202-D204 IonicContact NE-OD2 2.85Å; R202-D204 IonicContact NH1-OD2 2.79Å; R202-D204 PolarHBondContact NH1-OD2 3.22Å
203	P	37.4	Very low	35.1	Very low	132 Å²	132	133.6 Å²	133.6	86%	0.857	74%	0.742	S	S	*	*			cis	-138.7	161.5	44.2	37	-15.5	0	0	0	120.2
204	D	29.2	Very low	35.4	Very low	105 Å²	105	136 Å²	136	56%	0.561	74%	0.736	S	S	*	*			trans	-58.9	139.7	179.8	-83.9	-65	0	0	0	116.5	R202	R202-D204 IonicContact CZ-OD2 2.78Å; R202-D204 IonicContact NE-OD2 2.85Å; R202-D204 IonicContact NH1-OD2 2.79Å; R202-D204 PolarHBondContact NH1-OD2 3.22Å
205	L	34.4	Very low	35.6	Very low	181 Å²	181	138.6 Å²	138.6	95%	0.948	73%	0.73	S	S	*	*			trans	-130.3	85.8	142.1	-92.5	164.7	0	0	0	108.1
206	S	30.3	Very low	36.1	Very low	90 Å²	90	137 Å²	137	63%	0.629	71%	0.713	S	S	*	*			trans	-90.2	108.4	173.5	-179.1	0	0	0	0	109.8
207	T	33.2	Very low	36.2	Very low	134 Å²	134	132 Å²	132	82%	0.822	69%	0.693	S	S	*	*			trans	-133.7	70.5	152.1	-46.3	0	0	0	0	107.7	M209	T207-M209 PolarHBondContact O-N 3.26Å
208	R	34.5	Very low	36.5	Very low	234 Å²	234	131 Å²	131	88%	0.883	68%	0.681	S	S	*	*			trans	-76	98.8	178.1	-156.9	176.7	-169.3	-169.9	3.6	108.4	S210	R208-S210 PolarHBondContact O-N 3.11Å
209	M	37.5	Very low	36.6	Very low	99 Å²	99	131.2 Å²	131.2	49%	0.488	67%	0.669	S	S	.	*			trans	-59	125.6	165	-74.7	-167.1	73.6	0	0	108.9	T207 K213	T207-M209 PolarHBondContact O-N 3.26Å; M209-K213 HydrophobicContact CE-CB 3.74Å; M209-K213 HydrophobicContact CE-CD 3.84Å; M209-K213 HydrophobicContact CE-CG 4.43Å
210	S	37.4	Very low	36.9	Very low	55 Å²	55	125.7 Å²	125.7	39%	0.385	65%	0.65	S	S	.	*			trans	-54.5	140.8	177.2	151.6	0	0	0	0	111.2	R208 S212 K213	R208-S210 PolarHBondContact O-N 3.11Å; S210-S212 PolarHBondContact O-N 3.49Å; S210-S212 PolarHBondContact OG-N 3.16Å; S210-K213 PolarHBondContact O-N 2.84Å
211	P	37.9	Very low	37	Very low	104 Å²	104	123.4 Å²	123.4	68%	0.675	64%	0.637	S	S	*	*	H	α-helix	trans	-55.8	-22.6	177.4	19.7	-29.7	0	0	0	113.4	R214 K215	P211-R214 PolarHBondContact O-N 3.46Å; P211-K215 PolarHBondContact O-N 2.97Å
212	S	43.7	Very low	37	Very low	86 Å²	86	122.7 Å²	122.7	60%	0.601	63%	0.627	S	S	*	*	H	α-helix	trans	-69.6	-29.5	174.5	-54.2	0	0	0	0	113.6	S210 S216	S210-S212 PolarHBondContact O-N 3.49Å; S210-S212 PolarHBondContact OG-N 3.16Å; S212-S216 PolarHBondContact O-N 2.55Å
213	K	43	Very low	37.4	Very low	127 Å²	127	116.4 Å²	116.4	55%	0.552	62%	0.619	S	S	*	*	H	α-helix	trans	-80.4	-25.2	176.9	-74.7	-172.7	176.4	-176.3	0	113.1	M209 S210 S216 L217	M209-K213 HydrophobicContact CE-CB 3.74Å; M209-K213 HydrophobicContact CE-CD 3.84Å; M209-K213 HydrophobicContact CE-CG 4.43Å; S210-K213 PolarHBondContact O-N 2.84Å; K213-S216 PolarHBondContact O-OG 3.45Å; K213-L217 PolarHBondContact O-N 2.83Å
214	R	42.7	Very low	37.5	Very low	187 Å²	187	115.3 Å²	115.3	71%	0.706	61%	0.61	S	S	*	*	H	α-helix	trans	-70.6	-40.4	169.3	-75.2	-172.1	-162.8	179.9	2.9	111.2	P211 F218	P211-R214 PolarHBondContact O-N 3.46Å; R214-F218 WeakPolarHBondContact O-CB 3.22Å; R214-F218 PolarHBondContact O-N 2.99Å; R214-F218 VanDerWaalsContact O-N 3.14Å
215	K	39.3	Very low	37.8	Very low	144 Å²	144	117.6 Å²	117.6	63%	0.626	62%	0.617	S	S	*	*	H	α-helix	trans	-60.8	-44.1	173.2	-81.7	-169.7	172.1	-169.3	0	112.3	P211 L217 F218 E219	P211-K215 PolarHBondContact O-N 2.97Å; K215-L217 PolarHBondContact O-N 3.5Å; K215-F218 PolarHBondContact O-N 2.94Å; K215-E219 VanDerWaalsContact O-CB 3.27Å; K215-E219 WeakPolarHBondContact O-CB 3.25Å; K215-E219 WeakPolarHBondContact O-CG 3.35Å; K215-E219 PolarHBondContact O-N 3.42Å
216	S	41.3	Very low	37.7	Very low	65 Å²	65	112 Å²	112	46%	0.455	60%	0.597	S	S	.	*	H	α-helix	trans	-69	-32.8	-178.4	76.8	0	0	0	0	114.2	S212 K213 S220	S212-S216 PolarHBondContact O-N 2.55Å; K213-S216 PolarHBondContact O-OG 3.45Å; S216-S220 WeakPolarHBondContact O-CB 3.33Å; S216-S220 PolarHBondContact O-N 3.32Å
217	L	38.9	Very low	37.8	Very low	104 Å²	104	110.9 Å²	110.9	55%	0.545	59%	0.589	S	S	.	*	H	α-helix	trans	-71.6	-40.8	175.3	-81.7	168	0	0	0	111.5	K213 K215 S220 L221	K213-L217 PolarHBondContact O-N 2.83Å; K215-L217 PolarHBondContact O-N 3.5Å; L217-S220 PolarHBondContact O-N 3.47Å; L217-S220 PolarHBondContact O-OG 3.26Å; L217-L221 PolarHBondContact O-N 3.33Å
218	F	37.4	Very low	37.9	Very low	132 Å²	132	110.2 Å²	110.2	58%	0.579	59%	0.587	S	S	*	*	H	α-helix	trans	-68.8	-40.6	176.4	-157.8	-105.7	0	0	0	111.8	R214 K215 L221 I222	R214-F218 WeakPolarHBondContact O-CB 3.22Å; R214-F218 PolarHBondContact O-N 2.99Å; R214-F218 VanDerWaalsContact O-N 3.14Å; K215-F218 PolarHBondContact O-N 2.94Å; F218-L221 PolarHBondContact O-N 3.41Å; F218-I222 HydrophobicContact CD1-CD1 3.45Å; F218-I222 VanDerWaalsContact CD1-CD1 3.45Å; F218-I222 HydrophobicContact CD1-CG1 4.41Å; F218-I222 HydrophobicContact CE1-CD1 3.34Å; F218-I222 HydrophobicContact CE1-CG1 4.44Å; F218-I222 HydrophobicContact CG-CD1 4.34Å; F218-I222 HydrophobicContact CZ-CD1 4.15Å; F218-I222 WeakPolarHBondContact O-CB 3.45Å; F218-I222 VanDerWaalsContact O-CG1 3.28Å; F218-I222 WeakPolarHBondContact O-CG1 3.42Å; F218-I222 PolarHBondContact O-N 3.1Å
219	E	39.1	Very low	37.8	Very low	125 Å²	125	102.2 Å²	102.2	58%	0.584	57%	0.565	S	S	*	*	H	α-helix	trans	-65.7	-34.2	171.7	-76.9	172.5	-173	0	0	112	K215 A223	K215-E219 VanDerWaalsContact O-CB 3.27Å; K215-E219 WeakPolarHBondContact O-CB 3.25Å; K215-E219 WeakPolarHBondContact O-CG 3.35Å; K215-E219 PolarHBondContact O-N 3.42Å; E219-A223 WeakPolarHBondContact O-CB 3.48Å; E219-A223 PolarHBondContact O-N 2.88Å
220	S	39.5	Very low	37.5	Very low	60 Å²	60	100 Å²	100	42%	0.42	56%	0.562	S	S	.	*	H	α-helix	trans	-70.3	-37.3	173.8	84.8	0	0	0	0	112.5	S216 L217 A223 T224	S216-S220 WeakPolarHBondContact O-CB 3.33Å; S216-S220 PolarHBondContact O-N 3.32Å; L217-S220 PolarHBondContact O-N 3.47Å; L217-S220 PolarHBondContact O-OG 3.26Å; S220-A223 PolarHBondContact O-N 2.87Å; S220-T224 PolarHBondContact O-N 3.31Å; S220-T224 VanDerWaalsContact O-N 3.14Å; S220-T224 PolarHBondContact O-OG1 3.13Å
221	L	34.2	Very low	37.3	Very low	113 Å²	113	103.4 Å²	103.4	59%	0.592	58%	0.576	S	S	*	*	H	α-helix	trans	-67	-40.9	175.6	-115.2	90.6	0	0	0	111.6	L217 F218 T224 H225	L217-L221 PolarHBondContact O-N 3.33Å; F218-L221 PolarHBondContact O-N 3.41Å; L221-T224 PolarHBondContact O-OG1 3.11Å; L221-T224 VanDerWaalsContact O-OG1 3.09Å; L221-H225 PolarHBondContact O-CD2 2.86Å
222	I	37	Very low	36.9	Very low	90 Å²	90	103.8 Å²	103.8	46%	0.462	57%	0.572	S	S	.	*	H	α-helix	trans	-72.9	-39	176.9	-67.4	173.8	0	0	0	110.4	F218 T224 H225 A226	F218-I222 HydrophobicContact CD1-CD1 3.45Å; F218-I222 VanDerWaalsContact CD1-CD1 3.45Å; F218-I222 HydrophobicContact CD1-CG1 4.41Å; F218-I222 HydrophobicContact CE1-CD1 3.34Å; F218-I222 HydrophobicContact CE1-CG1 4.44Å; F218-I222 HydrophobicContact CG-CD1 4.34Å; F218-I222 HydrophobicContact CZ-CD1 4.15Å; F218-I222 WeakPolarHBondContact O-CB 3.45Å; F218-I222 VanDerWaalsContact O-CG1 3.28Å; F218-I222 WeakPolarHBondContact O-CG1 3.42Å; F218-I222 PolarHBondContact O-N 3.1Å; I222-T224 VanDerWaalsContact C-N 3.31Å; I222-T224 PolarHBondContact O-N 3.48Å; I222-H225 CarbonylContact O-C 3.47Å; I222-H225 PolarHBondContact O-N 2.87Å; I222-A226 HydrophobicContact CG2-CB 4.23Å; I222-A226 WeakPolarHBondContact O-CA 3.44Å; I222-A226 WeakPolarHBondContact O-CB 3.12Å; I222-A226 PolarHBondContact O-N 3.49Å
223	A	38.2	Very low	36.3	Very low	77 Å²	77	103.5 Å²	103.5	64%	0.636	56%	0.563	S	S	*	*	H	α-helix	trans	-67.3	-27.3	178.6	0	0	0	0	0	113.5	E219 S220 H225	E219-A223 WeakPolarHBondContact O-CB 3.48Å; E219-A223 PolarHBondContact O-N 2.88Å; S220-A223 PolarHBondContact O-N 2.87Å; A223-H225 VanDerWaalsContact C-N 3.33Å
224	T	38.1	Very low	36	Very low	109 Å²	109	101.6 Å²	101.6	67%	0.669	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	-12.7	171.1	36	0	0	0	0	114.3	S220 L221 I222	S220-T224 PolarHBondContact O-N 3.31Å; S220-T224 VanDerWaalsContact O-N 3.14Å; S220-T224 PolarHBondContact O-OG1 3.13Å; L221-T224 PolarHBondContact O-OG1 3.11Å; L221-T224 VanDerWaalsContact O-OG1 3.09Å; I222-T224 VanDerWaalsContact C-N 3.31Å; I222-T224 PolarHBondContact O-N 3.48Å
225	H	36.9	Very low	35.7	Very low	153 Å²	153	98.9 Å²	98.9	71%	0.708	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.6	-3.6	-179.2	-75	-70.2	0	0	0	114.7	L221 I222 A223 S227	L221-H225 PolarHBondContact O-CD2 2.86Å; I222-H225 CarbonylContact O-C 3.47Å; I222-H225 PolarHBondContact O-N 2.87Å; A223-H225 VanDerWaalsContact C-N 3.33Å; H225-S227 PolarHBondContact O-N 3.27Å
226	A	31.4	Very low	35.5	Very low	64 Å²	64	97.8 Å²	97.8	53%	0.529	55%	0.55	S	S	.	*			trans	-84.4	62.8	176.9	0	0	0	0	0	111	I222	I222-A226 HydrophobicContact CG2-CB 4.23Å; I222-A226 WeakPolarHBondContact O-CA 3.44Å; I222-A226 WeakPolarHBondContact O-CB 3.12Å; I222-A226 PolarHBondContact O-N 3.49Å
227	S	32.1	Very low	35.3	Very low	66 Å²	66	103.3 Å²	103.3	46%	0.462	56%	0.561	S	S	.	*	S	Bend	trans	-73.6	151.6	153.3	175.1	0	0	0	0	107.9	H225 T229 A230	H225-S227 PolarHBondContact O-N 3.27Å; S227-T229 WeakPolarHBondContact CB-OG1 3.42Å; S227-T229 PolarHBondContact O-N 3.36Å; S227-T229 PolarHBondContact OG-OG1 3.4Å; S227-A230 PolarHBondContact O-N 2.99Å
228	P	35.8	Very low	35.3	Very low	120 Å²	120	102.4 Å²	102.4	78%	0.779	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.7	-1.1	176.1	-23.4	32.4	0	0	0	115.7	A230	P228-A230 VanDerWaalsContact C-N 3.35Å
229	T	33	Very low	35.4	Very low	66 Å²	66	101.2 Å²	101.2	41%	0.405	55%	0.554	S	S	.	*	H	α-helix	trans	-68.9	-21.9	175.6	-36.2	0	0	0	0	113.8	S227 N231 L232 L233	S227-T229 WeakPolarHBondContact CB-OG1 3.42Å; S227-T229 PolarHBondContact O-N 3.36Å; S227-T229 PolarHBondContact OG-OG1 3.4Å; T229-N231 VanDerWaalsContact C-N 3.35Å; T229-N231 PolarHBondContact O-N 3.4Å; T229-L232 PolarHBondContact O-N 3.44Å; T229-L233 HydrophobicContact CG2-CD1 4.09Å; T229-L233 HydrophobicContact CG2-CG 4.17Å; T229-L233 WeakPolarHBondContact O-CB 3.3Å; T229-L233 VanDerWaalsContact O-CG 3.26Å; T229-L233 WeakPolarHBondContact O-CG 3.44Å; T229-L233 PolarHBondContact O-N 3.18Å
230	A	31.5	Very low	35.3	Very low	52 Å²	52	100.1 Å²	100.1	43%	0.43	55%	0.552	S	S	.	*	H	α-helix	trans	-64.1	-34.2	-177.3	0	0	0	0	0	113.8	S227 P228 I234	S227-A230 PolarHBondContact O-N 2.99Å; P228-A230 VanDerWaalsContact C-N 3.35Å; A230-I234 WeakPolarHBondContact O-CG1 3.45Å; A230-I234 PolarHBondContact O-N 2.93Å
231	N	32.3	Very low	35.4	Very low	128 Å²	128	98.9 Å²	98.9	68%	0.684	55%	0.548	S	S	*	.	H	α-helix	trans	-77.8	-33.2	177	-70	-13.7	0	0	0	112.4	T229 L233 I234	T229-N231 VanDerWaalsContact C-N 3.35Å; T229-N231 PolarHBondContact O-N 3.4Å; N231-L233 VanDerWaalsContact C-N 3.34Å; N231-I234 PolarHBondContact O-N 3.04Å
232	L	30	Very low	35.9	Very low	111 Å²	111	95.2 Å²	95.2	58%	0.581	53%	0.528	S	S	*	.	H	α-helix	trans	-68.1	-34.1	172.3	-82.8	161	0	0	0	112	T229 I234 E236	T229-L232 PolarHBondContact O-N 3.44Å; L232-I234 VanDerWaalsContact C-N 3.25Å; L232-I234 PolarHBondContact O-N 2.75Å; L232-E236 WeakPolarHBondContact O-CB 3.47Å; L232-E236 PolarHBondContact O-N 3.48Å
233	L	31.3	Very low	36.1	Very low	81 Å²	81	97.6 Å²	97.6	42%	0.424	54%	0.537	S	S	.	.	H	α-helix	trans	-70.4	-18.7	176.2	-74.3	169	0	0	0	113.5	T229 N231 R237	T229-L233 HydrophobicContact CG2-CD1 4.09Å; T229-L233 HydrophobicContact CG2-CG 4.17Å; T229-L233 WeakPolarHBondContact O-CB 3.3Å; T229-L233 VanDerWaalsContact O-CG 3.26Å; T229-L233 WeakPolarHBondContact O-CG 3.44Å; T229-L233 PolarHBondContact O-N 3.18Å; N231-L233 VanDerWaalsContact C-N 3.34Å; L233-R237 WeakPolarHBondContact O-CB 3.46Å; L233-R237 WeakPolarHBondContact O-CG 3.43Å; L233-R237 PolarHBondContact O-N 3.36Å; L233-R237 VanDerWaalsContact O-N 3.17Å
234	I	37	Very low	36.3	Very low	87 Å²	87	99.9 Å²	99.9	45%	0.446	53%	0.53	S	S	.	.	H	α-helix	trans	-78.9	-51.4	175.1	-66.5	165.2	0	0	0	109.5	A230 N231 L232 E236 R237 E238	A230-I234 WeakPolarHBondContact O-CG1 3.45Å; A230-I234 PolarHBondContact O-N 2.93Å; N231-I234 PolarHBondContact O-N 3.04Å; L232-I234 VanDerWaalsContact C-N 3.25Å; L232-I234 PolarHBondContact O-N 2.75Å; I234-E236 PolarHBondContact O-N 3.4Å; I234-R237 PolarHBondContact O-N 2.81Å; I234-E238 WeakPolarHBondContact O-CG 3.48Å; I234-E238 PolarHBondContact O-N 3.01Å
235	E	35.6	Very low	36.6	Very low	130 Å²	130	95.5 Å²	95.5	61%	0.607	50%	0.503	S	S	*	.	H	α-helix	trans	-61.5	-41.7	174.9	-86.7	-175.6	149.8	0	0	112.6	R237 E238 N239	E235-R237 VanDerWaalsContact C-N 3.3Å; E235-R237 PolarHBondContact O-N 3.05Å; E235-E238 PolarHBondContact O-N 3.38Å; E235-N239 PolarHBondContact O-N 3.46Å; E235-N239 VanDerWaalsContact O-N 3.16Å
236	E	34.6	Very low	37	Very low	120 Å²	120	92.3 Å²	92.3	56%	0.561	49%	0.485	S	S	*	.	H	α-helix	trans	-68.1	-32.6	178.4	-158.6	172.5	-154.8	0	0	111	L232 I234 L240	L232-E236 WeakPolarHBondContact O-CB 3.47Å; L232-E236 PolarHBondContact O-N 3.48Å; I234-E236 PolarHBondContact O-N 3.4Å; E236-L240 HydrophobicContact CG-CD1 4.19Å; E236-L240 WeakPolarHBondContact O-CB 3.43Å; E236-L240 VanDerWaalsContact O-CD1 3.23Å; E236-L240 WeakPolarHBondContact O-CD1 3.26Å; E236-L240 PolarHBondContact O-N 3.38Å
237	R	37.3	Very low	37.7	Very low	181 Å²	181	95.7 Å²	95.7	68%	0.683	49%	0.49	S	S	*	.	H	α-helix	trans	-78.7	-28.4	174.1	-80.1	-168.2	173.5	-145.6	1.3	114.6	L233 I234 E235 G241	L233-R237 WeakPolarHBondContact O-CB 3.46Å; L233-R237 WeakPolarHBondContact O-CG 3.43Å; L233-R237 PolarHBondContact O-N 3.36Å; L233-R237 VanDerWaalsContact O-N 3.17Å; I234-R237 PolarHBondContact O-N 2.81Å; E235-R237 VanDerWaalsContact C-N 3.3Å; E235-R237 PolarHBondContact O-N 3.05Å; R237-G241 WeakPolarHBondContact O-CA 3.16Å; R237-G241 PolarHBondContact O-N 3.14Å
238	E	39.3	Very low	38.4	Very low	85 Å²	85	94 Å²	94	40%	0.397	48%	0.475	S	S	.	.	H	α-helix	trans	-65.1	-44.3	171.8	-76.3	177.3	178.9	0	0	110.4	I234 E235 G241 E242 Q461	I234-E238 WeakPolarHBondContact O-CG 3.48Å; I234-E238 PolarHBondContact O-N 3.01Å; E235-E238 PolarHBondContact O-N 3.38Å; E238-G241 PolarHBondContact O-N 3.43Å; E238-E242 PolarHBondContact O-N 3.17Å; E238-Q461 PolarHBondContact OE2-NE2 2.95Å
239	N	40.2	Very low	38.6	Very low	108 Å²	108	89.8 Å²	89.8	58%	0.578	45%	0.447	S	S	*	.	H	α-helix	trans	-68.1	-39.3	174.7	-89.1	-37.2	0	0	0	113.3	E235 G241 E242 Q243	E235-N239 PolarHBondContact O-N 3.46Å; E235-N239 VanDerWaalsContact O-N 3.16Å; N239-G241 VanDerWaalsContact C-N 3.34Å; N239-E242 PolarHBondContact O-N 2.96Å; N239-Q243 WeakPolarHBondContact O-CB 3.48Å; N239-Q243 PolarHBondContact O-N 3.34Å
240	L	35.8	Very low	39	Very low	102 Å²	102	89.3 Å²	89.3	53%	0.534	44%	0.441	S	S	.	.	H	α-helix	trans	-66.4	-37.1	172.4	-101.4	119.6	0	0	0	111.9	E236 Q243 Y244	E236-L240 HydrophobicContact CG-CD1 4.19Å; E236-L240 WeakPolarHBondContact O-CB 3.43Å; E236-L240 VanDerWaalsContact O-CD1 3.23Å; E236-L240 WeakPolarHBondContact O-CD1 3.26Å; E236-L240 PolarHBondContact O-N 3.38Å; L240-Q243 PolarHBondContact O-N 3.16Å; L240-Y244 WeakPolarHBondContact O-CB 3.18Å; L240-Y244 PolarHBondContact O-N 2.99Å
241	G	42	Very low	39.5	Very low	34 Å²	34	90.3 Å²	90.3	35%	0.351	44%	0.437	S	S	.	.	H	α-helix	trans	-59	-50.6	174.2	0	0	0	0	0	110.4	R237 E238 N239 T245	R237-G241 WeakPolarHBondContact O-CA 3.16Å; R237-G241 PolarHBondContact O-N 3.14Å; E238-G241 PolarHBondContact O-N 3.43Å; N239-G241 VanDerWaalsContact C-N 3.34Å; G241-T245 WeakPolarHBondContact O-CB 3.47Å; G241-T245 PolarHBondContact O-N 3.46Å; G241-T245 PolarHBondContact O-OG1 2.96Å
242	E	43.5	Very low	39.8	Very low	35 Å²	35	84.5 Å²	84.5	16%	0.164	41%	0.406	C	S	.	.	H	α-helix	trans	-66.9	-40.6	179.3	-166.3	164.3	-178.8	0	0	112.7	E238 N239 T245 R246 K458	E238-E242 PolarHBondContact O-N 3.17Å; N239-E242 PolarHBondContact O-N 2.96Å; E242-T245 WeakPolarHBondContact O-CB 3.31Å; E242-R246 WeakPolarHBondContact O-CB 3.43Å; E242-R246 WeakPolarHBondContact O-CG 3.35Å; E242-R246 PolarHBondContact O-N 3.16Å; E242-R246 IonicContact OE1-CZ 3.91Å; E242-R246 IonicContact OE1-NE 2.82Å; E242-R246 IonicContact OE1-NH2 2.97Å; E242-R246 PolarHBondContact OE1-NH2 3.48Å; E242-K458 VanDerWaalsContact CD-NZ 3.29Å; E242-K458 IonicContact OE1-NZ 2.74Å; E242-K458 PolarHBondContact OE1-NZ 3.39Å; E242-K458 IonicContact OE2-NZ 3.56Å; E242-K458 PolarHBondContact OE2-NZ 3.22Å; E242-K458 VanDerWaalsContact OE2-NZ 3.08Å
243	Q	41.6	Very low	40.1	Very low	140 Å²	140	81.1 Å²	81.1	65%	0.654	39%	0.39	S	S	*	.	H	α-helix	trans	-68.1	-42.8	175.4	-77.7	-167.5	1.7	0	0	113.4	N239 L240 T245 R246 Q247	N239-Q243 WeakPolarHBondContact O-CB 3.48Å; N239-Q243 PolarHBondContact O-N 3.34Å; L240-Q243 PolarHBondContact O-N 3.16Å; Q243-T245 VanDerWaalsContact C-N 3.34Å; Q243-R246 PolarHBondContact O-N 3.35Å; Q243-Q247 VanDerWaalsContact O-CB 3.31Å; Q243-Q247 WeakPolarHBondContact O-CB 3.41Å; Q243-Q247 PolarHBondContact O-N 2.95Å
244	Y	42.5	Very low	40.6	Very low	126 Å²	126	81.5 Å²	81.5	49%	0.494	39%	0.392	S	S	.	.	H	α-helix	trans	-68.6	-38.2	-178.8	-164.2	-101.4	0	0	0	111.5	L240 Q247 H248	L240-Y244 WeakPolarHBondContact O-CB 3.18Å; L240-Y244 PolarHBondContact O-N 2.99Å; Y244-Q247 PolarHBondContact O-N 3.06Å; Y244-H248 AromaticContact CD1-ND1 3.53Å; Y244-H248 AromaticContact CE1-CE1 3.25Å; Y244-H248 WeakPolarHBondContact CE1-CE1 3.08Å; Y244-H248 AromaticContact CE1-ND1 3.25Å; Y244-H248 WeakPolarHBondContact CE1-ND1 2.8Å; Y244-H248 AromaticContact CZ-CE1 3.43Å; Y244-H248 VanDerWaalsContact CZ-CE1 3.43Å; Y244-H248 AromaticContact CZ-ND1 3.78Å; Y244-H248 WeakPolarHBondContact O-CB 3.23Å; Y244-H248 PolarHBondContact O-N 3.08Å; Y244-H248 PolarHBondContact OH-CE1 2.8Å
245	T	44.3	Very low	40.6	Very low	16 Å²	16	78.3 Å²	78.3	10%	0.098	38%	0.377	C	S	.	.	H	α-helix	trans	-57.5	-54.4	168.9	-66.9	0	0	0	0	111.7	G241 E242 Q243 Q247 H248 V249 F450	G241-T245 WeakPolarHBondContact O-CB 3.47Å; G241-T245 PolarHBondContact O-N 3.46Å; G241-T245 PolarHBondContact O-OG1 2.96Å; E242-T245 WeakPolarHBondContact O-CB 3.31Å; Q243-T245 VanDerWaalsContact C-N 3.34Å; T245-Q247 VanDerWaalsContact C-N 3.29Å; T245-Q247 PolarHBondContact O-N 3.32Å; T245-H248 PolarHBondContact O-N 2.97Å; T245-V249 WeakPolarHBondContact O-CB 3.37Å; T245-V249 VanDerWaalsContact O-CG2 3.31Å; T245-V249 WeakPolarHBondContact O-CG2 3.16Å; T245-V249 PolarHBondContact O-N 2.74Å; T245-F450 VanDerWaalsContact CB-CE1 3.48Å; T245-F450 HydrophobicContact CG2-CB 3.77Å; T245-F450 HydrophobicContact CG2-CD1 3.07Å; T245-F450 HydrophobicContact CG2-CD2 3.44Å; T245-F450 VanDerWaalsContact CG2-CD2 3.44Å; T245-F450 HydrophobicContact CG2-CE1 3.28Å; T245-F450 HydrophobicContact CG2-CE2 3.56Å; T245-F450 HydrophobicContact CG2-CG 3.16Å; T245-F450 HydrophobicContact CG2-CZ 3.5Å; T245-F450 VanDerWaalsContact CG2-CZ 3.5Å; T245-F450 WeakPolarHBondContact OG1-CD1 3.28Å; T245-F450 WeakPolarHBondContact OG1-CE1 3.36Å; T245-F450 VanDerWaalsContact OG1-CZ 3.23Å; T245-F450 WeakPolarHBondContact OG1-CZ 3.46Å
246	R	45.5	Very low	40.8	Very low	87 Å²	87	75.2 Å²	75.2	33%	0.328	36%	0.364	S	S	.	.	H	α-helix	trans	-60	-42.2	179.6	-75.8	175.9	-171.9	-153	6.4	110.5	E100 E242 Q243 V249 L250	E100-R246 IonicContact OE1-CZ 2.86Å; E100-R246 IonicContact OE1-NH1 3.08Å; E100-R246 PolarHBondContact OE1-NH1 2.9Å; E100-R246 VanDerWaalsContact OE1-NH1 3.11Å; E100-R246 IonicContact OE1-NH2 2.59Å; E242-R246 WeakPolarHBondContact O-CB 3.43Å; E242-R246 WeakPolarHBondContact O-CG 3.35Å; E242-R246 PolarHBondContact O-N 3.16Å; E242-R246 IonicContact OE1-CZ 3.91Å; E242-R246 IonicContact OE1-NE 2.82Å; E242-R246 IonicContact OE1-NH2 2.97Å; E242-R246 PolarHBondContact OE1-NH2 3.48Å; Q243-R246 PolarHBondContact O-N 3.35Å; R246-V249 PolarHBondContact O-N 3.24Å; R246-L250 VanDerWaalsContact O-CB 3.25Å; R246-L250 WeakPolarHBondContact O-CB 3.13Å; R246-L250 PolarHBondContact O-N 2.74Å
247	Q	46.5	Very low	41	Very low	134 Å²	134	72 Å²	72	63%	0.626	35%	0.352	S	S	*	.	H	α-helix	trans	-66.1	-40	178	-166.9	175.9	11.1	0	0	112.7	Q243 Y244 T245 H251	Q243-Q247 VanDerWaalsContact O-CB 3.31Å; Q243-Q247 WeakPolarHBondContact O-CB 3.41Å; Q243-Q247 PolarHBondContact O-N 2.95Å; Y244-Q247 PolarHBondContact O-N 3.06Å; T245-Q247 VanDerWaalsContact C-N 3.29Å; T245-Q247 PolarHBondContact O-N 3.32Å; Q247-H251 VanDerWaalsContact O-CB 3.24Å; Q247-H251 WeakPolarHBondContact O-CB 3.16Å; Q247-H251 PolarHBondContact O-N 3.28Å
248	H	45.8	Very low	41.2	Very low	31 Å²	31	66.2 Å²	66.2	14%	0.144	34%	0.335	C	S	.	.	H	α-helix	trans	-70.2	-41.5	175.4	-94.7	121.2	0	0	0	112.5	Y244 T245 L250 H251 L252	Y244-H248 AromaticContact CD1-ND1 3.53Å; Y244-H248 AromaticContact CE1-CE1 3.25Å; Y244-H248 WeakPolarHBondContact CE1-CE1 3.08Å; Y244-H248 AromaticContact CE1-ND1 3.25Å; Y244-H248 WeakPolarHBondContact CE1-ND1 2.8Å; Y244-H248 AromaticContact CZ-CE1 3.43Å; Y244-H248 VanDerWaalsContact CZ-CE1 3.43Å; Y244-H248 AromaticContact CZ-ND1 3.78Å; Y244-H248 WeakPolarHBondContact O-CB 3.23Å; Y244-H248 PolarHBondContact O-N 3.08Å; Y244-H248 PolarHBondContact OH-CE1 2.8Å; T245-H248 PolarHBondContact O-N 2.97Å; H248-L250 VanDerWaalsContact C-N 3.34Å; H248-H251 PolarHBondContact O-N 3.48Å; H248-L252 WeakPolarHBondContact O-CB 3.4Å; H248-L252 WeakPolarHBondContact O-CD1 3.24Å; H248-L252 WeakPolarHBondContact O-CG 3.49Å; H248-L252 PolarHBondContact O-N 2.85Å
249	V	40.8	Very low	41.2	Very low	31 Å²	31	64.8 Å²	64.8	19%	0.188	33%	0.328	C	S	.	.	H	α-helix	trans	-62.6	-43.5	173.8	172.9	0	0	0	0	110.3	T245 R246 T253 L447 F450	T245-V249 WeakPolarHBondContact O-CB 3.37Å; T245-V249 VanDerWaalsContact O-CG2 3.31Å; T245-V249 WeakPolarHBondContact O-CG2 3.16Å; T245-V249 PolarHBondContact O-N 2.74Å; R246-V249 PolarHBondContact O-N 3.24Å; V249-T253 WeakPolarHBondContact O-CB 3.17Å; V249-T253 PolarHBondContact O-N 3.32Å; V249-T253 PolarHBondContact O-OG1 3.08Å; V249-L447 HydrophobicContact CG1-CD2 4.1Å; V249-F450 HydrophobicContact CG2-CD2 3.6Å; V249-F450 HydrophobicContact CG2-CE2 3.94Å
250	L	41.1	Very low	41	Very low	56 Å²	56	66.4 Å²	66.4	29%	0.293	33%	0.33	S	S	.	.	H	α-helix	trans	-60.1	-46.9	171.5	-92.5	161.1	0	0	0	111.4	E103 R246 H248 L252 T253 I254	E103-L250 HydrophobicContact CG-CD2 4.48Å; E103-L250 VanDerWaalsContact OE1-CD1 3.24Å; E103-L250 WeakPolarHBondContact OE1-CD1 3.48Å; R246-L250 VanDerWaalsContact O-CB 3.25Å; R246-L250 WeakPolarHBondContact O-CB 3.13Å; R246-L250 PolarHBondContact O-N 2.74Å; H248-L250 VanDerWaalsContact C-N 3.34Å; L250-L252 PolarHBondContact O-N 2.85Å; L250-T253 PolarHBondContact O-N 2.63Å; L250-I254 VanDerWaalsContact O-CB 3.22Å; L250-I254 WeakPolarHBondContact O-CB 3.15Å; L250-I254 WeakPolarHBondContact O-CD1 3.28Å; L250-I254 WeakPolarHBondContact O-CG1 3.41Å; L250-I254 PolarHBondContact O-N 2.94Å
251	H	42	Very low	41.1	Very low	73 Å²	73	62.4 Å²	62.4	34%	0.338	31%	0.309	S	S	.	.	H	α-helix	trans	-63.8	-42.9	-179.5	-178.9	-100.3	0	0	0	112	Q247 H248 I254 C255 R342 E343	Q247-H251 VanDerWaalsContact O-CB 3.24Å; Q247-H251 WeakPolarHBondContact O-CB 3.16Å; Q247-H251 PolarHBondContact O-N 3.28Å; H248-H251 PolarHBondContact O-N 3.48Å; H251-I254 PolarHBondContact O-N 3.04Å; H251-C255 WeakPolarHBondContact O-CB 3.22Å; H251-C255 PolarHBondContact O-N 2.86Å; H251-C255 PolarHBondContact O-SG 3.02Å; H251-R342 PolarHBondContact CE1-NH2 3.38Å; H251-E343 IonicContact CE1-OE1 2.74Å; H251-E343 PolarHBondContact CE1-OE1 2.91Å; H251-E343 IonicContact ND1-OE1 3.11Å; H251-E343 IonicContact ND1-OE2 2.81Å
252	L	39.3	Very low	41.1	Very low	6 Å²	6	61.7 Å²	61.7	3%	0.031	30%	0.299	C	S	.	.	H	α-helix	trans	-68.4	-40.9	176	-75.3	160.9	0	0	0	111.6	H248 L250 C255 I256 E343 Y446	H248-L252 WeakPolarHBondContact O-CB 3.4Å; H248-L252 WeakPolarHBondContact O-CD1 3.24Å; H248-L252 WeakPolarHBondContact O-CG 3.49Å; H248-L252 PolarHBondContact O-N 2.85Å; L250-L252 PolarHBondContact O-N 2.85Å; L252-C255 PolarHBondContact O-N 2.95Å; L252-I256 WeakPolarHBondContact O-CB 3.48Å; L252-I256 WeakPolarHBondContact O-CD1 3.14Å; L252-I256 WeakPolarHBondContact O-CG1 3.37Å; L252-I256 PolarHBondContact O-N 2.89Å; L252-E343 HydrophobicContact CD2-CB 4.2Å; L252-E343 HydrophobicContact CD2-CG 4.09Å; L252-E343 WeakPolarHBondContact CD2-OE2 3.33Å; L252-Y446 HydrophobicContact CD1-CD2 3.18Å; L252-Y446 HydrophobicContact CD1-CE2 3.27Å; L252-Y446 HydrophobicContact CD1-CG 3.89Å
253	T	36.5	Very low	40.8	Very low	40 Å²	40	64.8 Å²	64.8	25%	0.245	31%	0.309	C	S	.	.	H	α-helix	trans	-62.1	-46.6	173.7	-57.6	0	0	0	0	109.8	L110 V249 L250 C255 I256 T257	L110-T253 HydrophobicContact CD1-CG2 4.09Å; V249-T253 WeakPolarHBondContact O-CB 3.17Å; V249-T253 PolarHBondContact O-N 3.32Å; V249-T253 PolarHBondContact O-OG1 3.08Å; L250-T253 PolarHBondContact O-N 2.63Å; T253-C255 PolarHBondContact O-N 3.41Å; T253-I256 CarbonylContact O-C 3.45Å; T253-I256 PolarHBondContact O-N 3.33Å; T253-I256 VanDerWaalsContact O-N 3.16Å; T253-T257 HydrophobicContact CG2-CG2 4.28Å; T253-T257 WeakPolarHBondContact O-CB 3.49Å; T253-T257 VanDerWaalsContact O-CG2 3.26Å; T253-T257 WeakPolarHBondContact O-CG2 3.43Å; T253-T257 PolarHBondContact O-N 3.26Å; T253-T257 PolarHBondContact O-OG1 3.14Å
254	I	40.3	Very low	40.4	Very low	90 Å²	90	59.6 Å²	59.6	46%	0.462	29%	0.285	S	S	.	.	H	α-helix	trans	-58.5	-46.5	174.7	-72.3	163.7	0	0	0	110.4	L250 H251 I256 T257 D258	L250-I254 VanDerWaalsContact O-CB 3.22Å; L250-I254 WeakPolarHBondContact O-CB 3.15Å; L250-I254 WeakPolarHBondContact O-CD1 3.28Å; L250-I254 WeakPolarHBondContact O-CG1 3.41Å; L250-I254 PolarHBondContact O-N 2.94Å; H251-I254 PolarHBondContact O-N 3.04Å; I254-I256 VanDerWaalsContact C-N 3.3Å; I254-I256 PolarHBondContact O-N 3.46Å; I254-T257 VanDerWaalsContact CA-OG1 3.26Å; I254-T257 WeakPolarHBondContact CA-OG1 3.27Å; I254-T257 CarbonylContact O-C 3.57Å; I254-T257 PolarHBondContact O-N 3.17Å; I254-T257 PolarHBondContact O-OG1 3.44Å; I254-T257 VanDerWaalsContact O-OG1 3.05Å; I254-D258 WeakPolarHBondContact O-CA 3.39Å; I254-D258 WeakPolarHBondContact O-CB 3.24Å; I254-D258 PolarHBondContact O-N 3.42Å
255	C	38	Very low	40.3	Very low	20 Å²	20	57 Å²	57	14%	0.135	28%	0.28	C	S	.	.	H	α-helix	trans	-63.6	-33.8	177.5	-71.9	0	0	0	0	112.7	H251 L252 T253 D258	H251-C255 WeakPolarHBondContact O-CB 3.22Å; H251-C255 PolarHBondContact O-N 2.86Å; H251-C255 PolarHBondContact O-SG 3.02Å; L252-C255 PolarHBondContact O-N 2.95Å; T253-C255 PolarHBondContact O-N 3.41Å; C255-D258 WeakPolarHBondContact O-CB 3.24Å
256	I	38.8	Very low	40.1	Very low	65 Å²	65	58.4 Å²	58.4	33%	0.333	28%	0.284	S	S	.	.	H	α-helix	trans	-75.9	-35.8	175.8	-71.3	165.5	0	0	0	111.2	L252 T253 I254 D258 A443	L252-I256 WeakPolarHBondContact O-CB 3.48Å; L252-I256 WeakPolarHBondContact O-CD1 3.14Å; L252-I256 WeakPolarHBondContact O-CG1 3.37Å; L252-I256 PolarHBondContact O-N 2.89Å; T253-I256 CarbonylContact O-C 3.45Å; T253-I256 PolarHBondContact O-N 3.33Å; T253-I256 VanDerWaalsContact O-N 3.16Å; I254-I256 VanDerWaalsContact C-N 3.3Å; I254-I256 PolarHBondContact O-N 3.46Å; I256-D258 VanDerWaalsContact C-N 3.31Å; I256-A443 HydrophobicContact CD1-CB 3.28Å
257	T	39.1	Very low	39.5	Very low	52 Å²	52	61.2 Å²	61.2	32%	0.319	30%	0.295	S	S	.	.	H	α-helix	trans	-84.6	-5.9	175.6	60.9	0	0	0	0	113.3	L110 T253 I254 E259	L110-T257 HydrophobicContact CD1-CG2 3.86Å; L110-T257 HydrophobicContact CD2-CG2 3.56Å; L110-T257 HydrophobicContact CG-CG2 4.36Å; T253-T257 HydrophobicContact CG2-CG2 4.28Å; T253-T257 WeakPolarHBondContact O-CB 3.49Å; T253-T257 VanDerWaalsContact O-CG2 3.26Å; T253-T257 WeakPolarHBondContact O-CG2 3.43Å; T253-T257 PolarHBondContact O-N 3.26Å; T253-T257 PolarHBondContact O-OG1 3.14Å; I254-T257 VanDerWaalsContact CA-OG1 3.26Å; I254-T257 WeakPolarHBondContact CA-OG1 3.27Å; I254-T257 CarbonylContact O-C 3.57Å; I254-T257 PolarHBondContact O-N 3.17Å; I254-T257 PolarHBondContact O-OG1 3.44Å; I254-T257 VanDerWaalsContact O-OG1 3.05Å; T257-E259 PolarHBondContact O-N 3.39Å; T257-E259 VanDerWaalsContact O-N 3.11Å
258	D	42.8	Very low	39.1	Very low	59 Å²	59	58.2 Å²	58.2	32%	0.316	28%	0.28	S	S	.	.			trans	-55.1	122.1	-177.9	-174.4	-48.9	0	0	0	107.4	I254 C255 I256 K260 L261 S262	I254-D258 WeakPolarHBondContact O-CA 3.39Å; I254-D258 WeakPolarHBondContact O-CB 3.24Å; I254-D258 PolarHBondContact O-N 3.42Å; C255-D258 WeakPolarHBondContact O-CB 3.24Å; I256-D258 VanDerWaalsContact C-N 3.31Å; D258-K260 PolarHBondContact O-N 3Å; D258-K260 VanDerWaalsContact O-N 3.15Å; D258-K260 VanDerWaalsContact OD1-CB 3.27Å; D258-K260 WeakPolarHBondContact OD1-CB 3.18Å; D258-K260 PolarHBondContact OD1-N 3.12Å; D258-L261 CarbonylContact O-C 3.48Å; D258-L261 WeakPolarHBondContact O-CA 3.25Å; D258-L261 WeakPolarHBondContact O-CB 3.44Å; D258-L261 PolarHBondContact O-N 2.81Å; D258-S262 PolarHBondContact O-N 3.02Å
259	E	38.9	Very low	38.5	Very low	55 Å²	55	59.4 Å²	59.4	26%	0.257	30%	0.295	S	S	.	.	H	α-helix	trans	-64.3	-23	-171.4	-137.3	-164.8	124.7	0	0	112.5	Y80 E84 T257 S262 R263	Y80-E259 WeakPolarHBondContact OH-CB 3.26Å; Y80-E259 PolarHBondContact OH-OE2 3.17Å; E84-E259 WeakPolarHBondContact CB-OE2 3.14Å; E84-E259 VanDerWaalsContact CD-CD 3.44Å; E84-E259 WeakPolarHBondContact CG-OE2 3.33Å; T257-E259 PolarHBondContact O-N 3.39Å; T257-E259 VanDerWaalsContact O-N 3.11Å; E259-S262 PolarHBondContact O-N 3.4Å; E259-R263 WeakPolarHBondContact O-CB 3.45Å; E259-R263 WeakPolarHBondContact O-CG 3.34Å; E259-R263 PolarHBondContact O-N 3.01Å; E259-R263 IonicContact OE1-CZ 3.44Å; E259-R263 IonicContact OE1-NE 3.07Å; E259-R263 PolarHBondContact OE1-NE 2.88Å; E259-R263 IonicContact OE1-NH2 3.35Å; E259-R263 PolarHBondContact OE1-NH2 2.91Å; E259-R263 IonicContact OE2-NH2 3.04Å; E259-R263 PolarHBondContact OE2-NH2 2.95Å
260	K	35.9	Very low	38.1	Very low	142 Å²	142	62 Å²	62	62%	0.617	31%	0.314	S	S	*	.	H	α-helix	trans	-67.1	-42.2	169.5	-68.9	177.9	175.6	175.9	0	111.4	D258 M264	D258-K260 PolarHBondContact O-N 3Å; D258-K260 VanDerWaalsContact O-N 3.15Å; D258-K260 VanDerWaalsContact OD1-CB 3.27Å; D258-K260 WeakPolarHBondContact OD1-CB 3.18Å; D258-K260 PolarHBondContact OD1-N 3.12Å; K260-M264 WeakPolarHBondContact O-CG 3.44Å; K260-M264 PolarHBondContact O-N 3.35Å; K260-M264 VanDerWaalsContact O-N 3.07Å
261	L	38.3	Very low	37.7	Very low	19 Å²	19	64.7 Å²	64.7	10%	0.099	33%	0.328	C	S	.	.	H	α-helix	trans	-65.2	-42.2	172.2	-104.9	103.9	0	0	0	111	D258 M264 L265 L439	D258-L261 CarbonylContact O-C 3.48Å; D258-L261 WeakPolarHBondContact O-CA 3.25Å; D258-L261 WeakPolarHBondContact O-CB 3.44Å; D258-L261 PolarHBondContact O-N 2.81Å; L261-M264 HydrophobicContact CG-CE 4.23Å; L261-M264 PolarHBondContact O-N 3.25Å; L261-L265 WeakPolarHBondContact O-CB 3.31Å; L261-L265 WeakPolarHBondContact O-CD1 3.18Å; L261-L265 WeakPolarHBondContact O-CG 3.47Å; L261-L265 PolarHBondContact O-N 3.02Å; L261-L439 HydrophobicContact CD2-CD1 3.96Å
262	S	41.2	Very low	37.4	Very low	19 Å²	19	65.8 Å²	65.8	13%	0.133	34%	0.344	C	S	.	.	H	α-helix	trans	-66.7	-36.2	177.4	-117.6	0	0	0	0	114	F119 D258 E259 L265 K266	F119-S262 WeakPolarHBondContact CE1-OG 3.22Å; F119-S262 WeakPolarHBondContact CZ-OG 3.34Å; D258-S262 PolarHBondContact O-N 3.02Å; E259-S262 PolarHBondContact O-N 3.4Å; S262-L265 WeakPolarHBondContact O-CB 3.37Å; S262-L265 PolarHBondContact O-N 3.19Å; S262-K266 PolarHBondContact O-N 3.41Å
263	R	36.6	Very low	37.1	Very low	100 Å²	100	69.3 Å²	69.3	38%	0.377	37%	0.369	S	S	.	.	H	α-helix	trans	-69.3	-37.8	173.5	-76.5	173.4	-150	172.6	10.7	111.3	E84 E259 R267	E84-R263 IonicContact OE1-CZ 2.72Å; E84-R263 IonicContact OE1-NH2 2.99Å; E84-R263 PolarHBondContact OE1-NH2 3.34Å; E84-R263 IonicContact OE2-NH2 2.8Å; E84-R263 PolarHBondContact OE2-NH2 3.39Å; E259-R263 WeakPolarHBondContact O-CB 3.45Å; E259-R263 WeakPolarHBondContact O-CG 3.34Å; E259-R263 PolarHBondContact O-N 3.01Å; E259-R263 IonicContact OE1-CZ 3.44Å; E259-R263 IonicContact OE1-NE 3.07Å; E259-R263 PolarHBondContact OE1-NE 2.88Å; E259-R263 IonicContact OE1-NH2 3.35Å; E259-R263 PolarHBondContact OE1-NH2 2.91Å; E259-R263 IonicContact OE2-NH2 3.04Å; E259-R263 PolarHBondContact OE2-NH2 2.95Å; R263-R267 WeakPolarHBondContact O-CG 3.33Å; R263-R267 PolarHBondContact O-N 3.38Å
264	M	35	Very low	37	Very low	31 Å²	31	72 Å²	72	15%	0.153	39%	0.389	C	S	.	.	H	α-helix	trans	-65.7	-44.8	170.9	-74.9	-171.7	-56.8	0	0	111.4	K260 L261 K266 R267 F268 I336	K260-M264 WeakPolarHBondContact O-CG 3.44Å; K260-M264 PolarHBondContact O-N 3.35Å; K260-M264 VanDerWaalsContact O-N 3.07Å; L261-M264 HydrophobicContact CG-CE 4.23Å; L261-M264 PolarHBondContact O-N 3.25Å; M264-K266 VanDerWaalsContact C-N 3.32Å; M264-K266 PolarHBondContact O-N 3.49Å; M264-R267 PolarHBondContact O-N 2.93Å; M264-F268 WeakPolarHBondContact O-CD2 3.22Å; M264-F268 PolarHBondContact O-N 3.23Å; M264-I336 HydrophobicContact CE-CD1 3.82Å; M264-I336 HydrophobicContact CE-CG1 3.68Å; M264-I336 HydrophobicContact SD-CD1 4.06Å; M264-I336 HydrophobicContact SD-CG1 4.32Å
265	L	39.6	Very low	36.8	Very low	72 Å²	72	72.8 Å²	72.8	38%	0.377	40%	0.403	S	S	.	.	H	α-helix	trans	-54.4	-43.2	174.8	-89.4	150.5	0	0	0	113	L261 S262 F268 A269	L261-L265 WeakPolarHBondContact O-CB 3.31Å; L261-L265 WeakPolarHBondContact O-CD1 3.18Å; L261-L265 WeakPolarHBondContact O-CG 3.47Å; L261-L265 PolarHBondContact O-N 3.02Å; S262-L265 WeakPolarHBondContact O-CB 3.37Å; S262-L265 PolarHBondContact O-N 3.19Å; L265-F268 PolarHBondContact O-N 3.14Å; L265-A269 PolarHBondContact O-N 3.24Å; L265-A269 VanDerWaalsContact O-N 3.16Å
266	K	39.7	Very low	36.5	Very low	45 Å²	45	82.5 Å²	82.5	20%	0.196	44%	0.436	C	S	.	.	H	α-helix	trans	-65.3	-41.6	176.5	-83.5	162.8	137.1	163.1	0	113.7	F119 V120 P121 S262 M264 F268	F119-K266 VanDerWaalsContact C-CE 3.45Å; F119-K266 HydrophobicContact CD1-CD 3.33Å; F119-K266 HydrophobicContact CD1-CG 3.39Å; F119-K266 HydrophobicContact CE1-CD 3.55Å; F119-K266 HydrophobicContact CE1-CG 3.87Å; F119-K266 HydrophobicContact CG-CD 4.42Å; F119-K266 VanDerWaalsContact O-CE 3.28Å; F119-K266 WeakPolarHBondContact O-CE 3.44Å; V120-K266 PolarHBondContact O-NZ 3.11Å; P121-K266 HydrophobicContact CB-CD 3.76Å; P121-K266 HydrophobicContact CG-CB 4.11Å; P121-K266 HydrophobicContact CG-CD 3.77Å; P121-K266 HydrophobicContact CG-CG 4.1Å; S262-K266 PolarHBondContact O-N 3.41Å; M264-K266 VanDerWaalsContact C-N 3.32Å; M264-K266 PolarHBondContact O-N 3.49Å; K266-F268 VanDerWaalsContact C-N 3.26Å; K266-F268 PolarHBondContact O-N 3.18Å
267	R	33.2	Very low	36.2	Very low	145 Å²	145	87.5 Å²	87.5	55%	0.547	46%	0.464	S	S	.	.	H	α-helix	trans	-63.8	-33	180	-73	175	-177.4	-169.5	-1.2	112.1	R263 M264	R263-R267 WeakPolarHBondContact O-CG 3.33Å; R263-R267 PolarHBondContact O-N 3.38Å; M264-R267 PolarHBondContact O-N 2.93Å
268	F	37.6	Very low	35.8	Very low	71 Å²	71	88.9 Å²	88.9	31%	0.311	49%	0.489	S	S	.	.	H	α-helix	trans	-90	-25.5	-177.7	-78.7	-77.6	0	0	0	114.8	M264 L265 K266 C270 L271 S272 Y432	M264-F268 WeakPolarHBondContact O-CD2 3.22Å; M264-F268 PolarHBondContact O-N 3.23Å; L265-F268 PolarHBondContact O-N 3.14Å; K266-F268 VanDerWaalsContact C-N 3.26Å; K266-F268 PolarHBondContact O-N 3.18Å; F268-C270 PolarHBondContact O-N 2.82Å; F268-L271 HydrophobicContact CD1-CD1 3.7Å; F268-L271 HydrophobicContact CE1-CD1 3.8Å; F268-L271 HydrophobicContact CG-CD1 4.45Å; F268-L271 PolarHBondContact O-N 3.4Å; F268-S272 PolarHBondContact O-N 3.48Å; F268-S272 VanDerWaalsContact O-N 3.11Å; F268-S272 PolarHBondContact O-OG 3.48Å; F268-S272 VanDerWaalsContact O-OG 3.05Å; F268-Y432 HydrophobicContact CB-CE1 4.38Å; F268-Y432 HydrophobicContact CD2-CE1 4.42Å; F268-Y432 HydrophobicContact CD2-CE2 4.26Å; F268-Y432 AromaticContact CD2-CZ 3.9Å; F268-Y432 HydrophobicContact CE2-CE2 4.39Å; F268-Y432 HydrophobicContact CG-CE1 4.41Å
269	A	34.8	Very low	35.2	Very low	56 Å²	56	92.2 Å²	92.2	46%	0.463	52%	0.516	S	S	.	.	H	α-helix	trans	-61.4	-30.6	168.9	0	0	0	0	0	112.5	L265 L271 S272 S273	L265-A269 PolarHBondContact O-N 3.24Å; L265-A269 VanDerWaalsContact O-N 3.16Å; A269-L271 VanDerWaalsContact C-N 3.35Å; A269-S272 PolarHBondContact O-OG 2.79Å; A269-S273 PolarHBondContact O-N 3.24Å; A269-S273 PolarHBondContact O-OG 3.26Å
270	C	32.6	Very low	35	Very low	86 Å²	86	94.5 Å²	94.5	58%	0.581	54%	0.539	S	S	*	.	H	α-helix	trans	-73.6	-22	172.5	-66.3	0	0	0	0	113.6	F268 S274	F268-C270 PolarHBondContact O-N 2.82Å; C270-S274 WeakPolarHBondContact O-CB 3.46Å
271	L	31.7	Very low	34.7	Very low	113 Å²	113	91.8 Å²	91.8	59%	0.592	54%	0.543	S	S	*	.	H	α-helix	trans	-89.4	-27.8	179.6	-68.9	168.7	0	0	0	112.6	F268 A269	F268-L271 HydrophobicContact CD1-CD1 3.7Å; F268-L271 HydrophobicContact CE1-CD1 3.8Å; F268-L271 HydrophobicContact CG-CD1 4.45Å; F268-L271 PolarHBondContact O-N 3.4Å; A269-L271 VanDerWaalsContact C-N 3.35Å
272	S	35.9	Very low	34.5	Very low	96 Å²	96	96.8 Å²	96.8	67%	0.671	57%	0.574	S	S	*	*	H	α-helix	trans	-82.9	-15.5	173.9	45.4	0	0	0	0	114	F268 A269	F268-S272 PolarHBondContact O-N 3.48Å; F268-S272 VanDerWaalsContact O-N 3.11Å; F268-S272 PolarHBondContact O-OG 3.48Å; F268-S272 VanDerWaalsContact O-OG 3.05Å; A269-S272 PolarHBondContact O-OG 2.79Å
273	S	33.4	Very low	34.3	Very low	80 Å²	80	104.9 Å²	104.9	56%	0.559	61%	0.61	S	S	*	*	H	α-helix	trans	-96.8	-13	174.3	47.7	0	0	0	0	114	A269 S275	A269-S273 PolarHBondContact O-N 3.24Å; A269-S273 PolarHBondContact O-OG 3.26Å; S273-S275 VanDerWaalsContact C-N 3.27Å; S273-S275 PolarHBondContact O-N 3.46Å
274	S	33.9	Very low	34.1	Very low	96 Å²	96	107.5 Å²	107.5	67%	0.671	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.3	5.2	178.5	177.7	0	0	0	0	115.1	C270	C270-S274 WeakPolarHBondContact O-CB 3.46Å
275	S	35.7	Very low	34.3	Very low	107 Å²	107	111.4 Å²	111.4	75%	0.748	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.3	11.7	178.4	-173.3	0	0	0	0	114	S273	S273-S275 VanDerWaalsContact C-N 3.27Å; S273-S275 PolarHBondContact O-N 3.46Å
276	R	33	Very low	33.8	Very low	223 Å²	223	113.6 Å²	113.6	84%	0.842	68%	0.68	S	S	*	*	S	Bend	trans	-132	55.9	179.8	-76.3	-175.1	168.5	-179.7	-2.5	111.9
277	D	30.6	Very low	33.6	Very low	171 Å²	171	115.4 Å²	115.4	91%	0.914	70%	0.703	S	S	*	*			trans	-153	80.3	161.1	-86.8	-38.5	0	0	0	109
278	G	31.7	Very low	33.7	Very low	81 Å²	81	112.8 Å²	112.8	84%	0.835	71%	0.713	S	S	*	*			trans	-137.3	65.3	174.5	0	0	0	0	0	109	S280	G278-S280 PolarHBondContact O-N 3.28Å
279	S	30.5	Very low	33.8	Very low	128 Å²	128	117 Å²	117	90%	0.895	74%	0.738	S	S	*	*			trans	-70.6	108	170.8	-177.2	0	0	0	0	109.4
280	S	33.4	Very low	33.7	Very low	104 Å²	104	120.7 Å²	120.7	73%	0.727	75%	0.75	S	S	*	*			trans	-167.6	113	143.8	61.6	0	0	0	0	111.9	G278	G278-S280 PolarHBondContact O-N 3.28Å
281	A	31.3	Very low	34.1	Very low	85 Å²	85	125 Å²	125	70%	0.702	76%	0.764	S	S	*	*			trans	61.5	105.3	132.2	0	0	0	0	0	119.5
282	T	33	Very low	34.2	Very low	124 Å²	124	123.9 Å²	123.9	76%	0.761	77%	0.77	S	S	*	*				45.4	112.7	125.4	57.9	0	0	0	0	118.6
283	E	37.6	Very low	34.3	Very low	189 Å²	189	125.5 Å²	125.5	88%	0.883	77%	0.772	S	S	*	*				173	120.7	117	-91.7	175.3	-164.4	0	0	110.6
284	D	33.1	Very low	34.4	Very low	154 Å²	154	130.4 Å²	130.4	82%	0.824	78%	0.783	S	S	*	*			trans	-61.3	150.6	166	-92.8	-44.6	0	0	0	110.4
285	P	37.9	Very low	34.4	Very low	113 Å²	113	129.4 Å²	129.4	73%	0.734	79%	0.787	S	S	*	*				-146.9	120.6	106.4	31.1	-12	0	0	0	114.4	A287	P285-A287 PolarHBondContact O-N 3.35Å
286	S	29	Very low	34.4	Very low	119 Å²	119	134.4 Å²	134.4	83%	0.832	80%	0.796	S	S	*	*			trans	-63	100.4	142.8	58.6	0	0	0	0	109.5
287	A	35	Very low	34.4	Very low	82 Å²	82	133.5 Å²	133.5	68%	0.678	80%	0.798	S	S	*	*			trans	-159.4	114	164.6	0	0	0	0	0	112.3	P285	P285-A287 PolarHBondContact O-N 3.35Å
288	A	35.4	Very low	34.8	Very low	91 Å²	91	135 Å²	135	75%	0.752	80%	0.796	S	S	*	*			trans	75.9	141.2	141.2	0	0	0	0	0	119.2
289	L	39.8	Very low	34.7	Very low	158 Å²	158	139.6 Å²	139.6	83%	0.827	80%	0.802	S	S	*	*			cis	-168.2	153.4	-7.6	-110.9	167	0	0	0	106.5
290	N	34.3	Very low	34.8	Very low	134 Å²	134	136.8 Å²	136.8	72%	0.717	79%	0.793	S	S	*	*			trans	-53.4	153	175.7	-56.7	-69.7	0	0	0	114.8
291	M	39.4	Very low	34.8	Very low	178 Å²	178	140.8 Å²	140.8	88%	0.877	80%	0.797	S	S	*	*				177.2	97.9	126.2	-81.7	-41.9	178.9	0	0	106.8
292	A	35	Very low	34.9	Very low	88 Å²	88	143.5 Å²	143.5	73%	0.727	81%	0.805	S	S	*	*				72.9	113.6	82	0	0	0	0	0	115.3
293	D	36.5	Very low	35.1	Very low	131 Å²	131	144.1 Å²	144.1	70%	0.701	80%	0.802	S	S	*	*				84.9	104	129.3	-152.5	25.1	0	0	0	119.3
294	K	37.5	Very low	35	Very low	183 Å²	183	140.9 Å²	140.9	80%	0.796	80%	0.796	S	S	*	*				160.5	118.8	103.2	-82.9	-173.6	-173.2	175	0	112.1
295	G	33	Very low	35.4	Very low	74 Å²	74	143.1 Å²	143.1	76%	0.763	80%	0.798	S	S	*	*				102	108.4	122.6	0	0	0	0	0	120.1
296	K	36.4	Very low	35.5	Very low	212 Å²	212	146.2 Å²	146.2	92%	0.922	80%	0.803	S	S	*	*			trans	88.4	101.3	136.7	-68	-178.4	174.5	174	0	119.8
297	K	32.9	Very low	36.1	Very low	204 Å²	204	148.4 Å²	148.4	89%	0.887	80%	0.802	S	S	*	*			trans	-42	129.4	147.5	-69.1	175.1	173.7	176.6	0	112.6
298	K	37.3	Very low	36.7	Very low	204 Å²	204	149.3 Å²	149.3	89%	0.887	80%	0.795	S	S	*	*			trans	-149.2	126.3	141.4	-78	-162.9	177.7	177.8	0	110.2	G300	K298-G300 PolarHBondContact O-N 3.03Å
299	N	30.4	Very low	37.3	Very low	177 Å²	177	149.5 Å²	149.5	95%	0.947	79%	0.789	S	S	*	*			trans	-53.9	127.6	169.4	-67.3	-17.3	0	0	0	110.2
300	G	33.1	Very low	37.8	Very low	68 Å²	68	146.3 Å²	146.3	70%	0.701	78%	0.78	S	S	*	*			trans	-146.5	102.6	-179.6	0	0	0	0	0	110.8	K298 V302	K298-G300 PolarHBondContact O-N 3.03Å; G300-V302 PolarHBondContact O-N 3.39Å
301	K	32.7	Very low	38.5	Very low	189 Å²	189	146.2 Å²	146.2	82%	0.822	78%	0.778	S	S	*	*			trans	-13.8	116.7	158.1	-165.8	168.6	-176.2	175.4	0	113.3	L303	K301-L303 VanDerWaalsContact C-N 3.28Å; K301-L303 PolarHBondContact O-N 2.97Å
302	V	34.2	Very low	38.5	Very low	142 Å²	142	146 Å²	146	86%	0.861	77%	0.772	S	S	*	*			trans	-62.3	96	167	175.9	0	0	0	0	106.9	G300 T304	G300-V302 PolarHBondContact O-N 3.39Å; V302-T304 PolarHBondContact O-N 3.24Å
303	L	35.9	Very low	39	Very low	136 Å²	136	147 Å²	147	71%	0.712	77%	0.77	S	S	*	*			trans	-69.9	116.4	165.1	-124.4	85.8	0	0	0	105.8	K301 K305	K301-L303 VanDerWaalsContact C-N 3.28Å; K301-L303 PolarHBondContact O-N 2.97Å; L303-K305 VanDerWaalsContact C-N 3.35Å; L303-K305 PolarHBondContact O-N 2.87Å
304	T	35.8	Very low	38.9	Very low	121 Å²	121	148.5 Å²	148.5	74%	0.742	78%	0.777	S	S	*	*			trans	-50.5	104.2	155.6	45.1	0	0	0	0	106.9	V302 E306	V302-T304 PolarHBondContact O-N 3.24Å; T304-E306 PolarHBondContact O-N 2.82Å
305	K	42.2	Very low	39	Very low	201 Å²	201	143.6 Å²	143.6	87%	0.874	78%	0.779	S	S	*	*			trans	-67.9	103.7	171.4	-126	179.5	-179.3	-179.3	0	105.6	L303 M307	L303-K305 VanDerWaalsContact C-N 3.35Å; L303-K305 PolarHBondContact O-N 2.87Å; K305-M307 PolarHBondContact O-N 3.37Å
306	E	40.8	Very low	39.3	Very low	179 Å²	179	144.3 Å²	144.3	84%	0.836	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-54.4	132.3	170.1	-65.4	-162	160.8	0	0	108.7	T304	T304-E306 PolarHBondContact O-N 2.82Å
307	M	41.6	Very low	39.1	Very low	164 Å²	164	142.8 Å²	142.8	81%	0.808	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-62.3	140.1	176.8	-160	113.4	95.7	0	0	109.3	K305	K305-M307 PolarHBondContact O-N 3.37Å
308	D	46.7	Very low	39.3	Very low	101 Å²	101	140.8 Å²	140.8	54%	0.54	76%	0.76	S	S	.	*	P	Polyproline II helix	trans	-49.3	120.7	179.9	-159	-38.9	0	0	0	111.2	S310 L311	D308-S310 PolarHBondContact O-N 2.87Å; D308-S310 WeakPolarHBondContact OD1-CB 3.34Å; D308-S310 PolarHBondContact OD1-N 3.48Å; D308-S310 PolarHBondContact OD1-OG 3.46Å; D308-L311 PolarHBondContact O-N 3.16Å
309	P	48.1	Very low	39	Very low	96 Å²	96	138.2 Å²	138.2	62%	0.623	75%	0.751	S	S	*	*	G	3₁₀ helix	trans	-62.4	-12.9	-177.6	-19.3	29.7	0	0	0	113.8	L311 K312	P309-L311 PolarHBondContact O-N 2.97Å; P309-K312 PolarHBondContact O-N 2.85Å
310	S	49.8	Very low	39.4	Very low	90 Å²	90	139.6 Å²	139.6	63%	0.629	75%	0.745	S	S	*	*	G	3₁₀ helix	trans	-75	-7.5	179.4	60.3	0	0	0	0	114.6	D308	D308-S310 PolarHBondContact O-N 2.87Å; D308-S310 WeakPolarHBondContact OD1-CB 3.34Å; D308-S310 PolarHBondContact OD1-N 3.48Å; D308-S310 PolarHBondContact OD1-OG 3.46Å
311	L	49.9	Very low	39.9	Very low	132 Å²	132	143.4 Å²	143.4	69%	0.691	74%	0.742	S	S	*	*	G	3₁₀ helix	trans	-97.1	7.8	173.2	-68	175	0	0	0	113.9	D308 P309 V313	D308-L311 PolarHBondContact O-N 3.16Å; P309-L311 PolarHBondContact O-N 2.97Å; L311-V313 VanDerWaalsContact C-N 3.29Å; L311-V313 PolarHBondContact O-N 3.31Å
312	K	38.4	Very low	40.4	Very low	173 Å²	173	138.4 Å²	138.4	75%	0.752	73%	0.731	S	S	*	*			trans	-75.1	84.5	169.6	-71.2	-175.6	177.1	-177	0	109.6	P309	P309-K312 PolarHBondContact O-N 2.85Å
313	V	45.6	Very low	41	Very low	111 Å²	111	140.2 Å²	140.2	67%	0.673	73%	0.73	S	S	*	*			trans	-87.6	106.7	161.7	179.9	0	0	0	0	106.7	L311 G315	L311-V313 VanDerWaalsContact C-N 3.29Å; L311-V313 PolarHBondContact O-N 3.31Å; V313-G315 PolarHBondContact O-N 2.81Å
314	D	35.7	Very low	42.1	Very low	161 Å²	161	136.6 Å²	136.6	86%	0.861	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.3	121.2	174.7	-70.6	-38	0	0	0	110
315	G	39.3	Very low	43.6	Very low	81 Å²	81	139.2 Å²	139.2	84%	0.835	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	117.4	5.5	172	0	0	0	0	0	117.6	V313	V313-G315 PolarHBondContact O-N 2.81Å
316	L	39.2	Very low	45.2	Very low	88 Å²	88	134.1 Å²	134.1	46%	0.461	72%	0.717	S	S	.	*			trans	-123.3	49.5	179.4	-101.6	158.1	0	0	0	112.4	N318 E319	L316-N318 PolarHBondContact O-N 3.46Å; L316-E319 HydrophobicContact CD2-CB 3.65Å; L316-E319 HydrophobicContact CD2-CG 3.92Å; L316-E319 WeakPolarHBondContact CD2-OE2 3.12Å
317	E	31.3	Very low	47.1	Very low	180 Å²	180	129.1 Å²	129.1	84%	0.841	70%	0.698	S	S	*	*	S	Bend	trans	-80.1	93.6	162.5	-62	-177.6	-174.1	0	0	107
318	N	36.4	Very low	49.2	Very low	162 Å²	162	127.7 Å²	127.7	87%	0.866	69%	0.689	S	S	*	*	S	Bend	trans	139.8	8.8	156.9	-67.7	-27.8	0	0	0	118.6	L316	L316-N318 PolarHBondContact O-N 3.46Å
319	E	32.7	Very low	51.2	Low	150 Å²	150	125.3 Å²	125.3	70%	0.701	68%	0.68	S	S	*	*			trans	-106.6	10	-176	-65.9	-169	162.9	0	0	117.4	L316	L316-E319 HydrophobicContact CD2-CB 3.65Å; L316-E319 HydrophobicContact CD2-CG 3.92Å; L316-E319 WeakPolarHBondContact CD2-OE2 3.12Å
320	Y	38.8	Very low	53.2	Low	207 Å²	207	123.1 Å²	123.1	81%	0.812	66%	0.662	S	S	*	*	S	Bend	trans	-103.6	63.2	174.3	-75.9	-85.9	0	0	0	112.6
321	F	42	Very low	55	Low	148 Å²	148	123.7 Å²	123.7	65%	0.649	66%	0.656	S	S	*	*			trans	-173.5	63.1	147.1	-93.2	-64	0	0	0	108.9	I412 K413	F321-I412 HydrophobicContact CD1-CG2 3.62Å; F321-I412 HydrophobicContact CE1-CG2 3.46Å; F321-I412 VanDerWaalsContact CE1-CG2 3.46Å; F321-I412 HydrophobicContact CZ-CG2 4.43Å; F321-K413 HydrophobicContact CZ-CG 3.86Å
322	S	44.1	Very low	56.6	Low	83 Å²	83	121.5 Å²	121.5	58%	0.58	64%	0.643	S	S	*	*			trans	-103.2	124.3	170.7	-166.9	0	0	0	0	109.7
323	H	47.7	Very low	58.9	Low	180 Å²	180	113.5 Å²	113.5	83%	0.833	61%	0.608	S	S	*	*			trans	99.1	42	165.6	-45.3	-60.1	0	0	0	120
324	G	57.5	Low	60.9	Low	61 Å²	61	110.8 Å²	110.8	63%	0.629	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-96.8	134.6	149	0	0	0	0	0	110.1
325	E	67.1	Low	63.1	Low	176 Å²	176	106.9 Å²	106.9	82%	0.822	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-55.7	144.9	162.5	-74.3	-175.3	162.6	0	0	109.4	V327	E325-V327 PolarHBondContact O-N 2.89Å
326	P	76.3	Confident	65.1	Low	93 Å²	93	103.2 Å²	103.2	60%	0.604	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-56.5	126.5	179	22.7	-32.3	0	0	0	110.7	H328	P326-H328 PolarHBondContact O-CD2 3.35Å; P326-H328 VanDerWaalsContact O-CD2 3.27Å; P326-H328 PolarHBondContact O-N 3.4Å
327	V	81.5	Confident	67.5	Low	75 Å²	75	99 Å²	99	46%	0.455	51%	0.509	S	S	.	.			trans	-74.6	101.3	174.4	-179.4	0	0	0	0	108.4	E325 I412	E325-V327 PolarHBondContact O-N 2.89Å; V327-I412 HydrophobicContact CG2-CD1 4.13Å; V327-I412 HydrophobicContact CG2-CG1 4.39Å
328	H	86	Confident	70	Confident	133 Å²	133	96.9 Å²	96.9	62%	0.616	50%	0.499	S	S	*	.			trans	-71.1	150.2	-178.2	-69.2	-72	0	0	0	112.6	P326 R404	P326-H328 PolarHBondContact O-CD2 3.35Å; P326-H328 VanDerWaalsContact O-CD2 3.27Å; P326-H328 PolarHBondContact O-N 3.4Å; H328-R404 PolarHBondContact O-NH2 3Å
329	P	87.9	Confident	72.1	Confident	52 Å²	52	90.9 Å²	90.9	34%	0.338	47%	0.468	S	S	.	.			trans	-66.8	158.1	168	30.4	-35	0	0	0	111	M331 Q334 R404	P329-M331 HydrophobicContact CG-SD 3.99Å; P329-M331 PolarHBondContact O-N 2.84Å; P329-M331 VanDerWaalsContact O-N 3.12Å; P329-Q334 HydrophobicContact CB-CG 4.2Å; P329-R404 VanDerWaalsContact C-NH2 3.32Å
330	N	89.2	Confident	74.7	Confident	49 Å²	49	84 Å²	84	26%	0.262	44%	0.436	S	S	.	.			trans	-78.3	102.5	174.6	-179.3	-28.1	0	0	0	107.8	E332 L333 Q334 R404 D428	N330-E332 VanDerWaalsContact C-N 3.3Å; N330-E332 PolarHBondContact O-N 2.65Å; N330-E332 PolarHBondContact OD1-N 3.41Å; N330-L333 HydrophobicContact CB-CB 4.02Å; N330-L333 PolarHBondContact O-N 3.23Å; N330-L333 PolarHBondContact OD1-N 3.03Å; N330-L333 VanDerWaalsContact OD1-N 3.16Å; N330-Q334 WeakPolarHBondContact O-CG 3.32Å; N330-Q334 PolarHBondContact O-N 3.42Å; N330-R404 VanDerWaalsContact N-CZ 3.26Å; N330-D428 VanDerWaalsContact CB-OD2 3.28Å; N330-D428 WeakPolarHBondContact CB-OD2 3.24Å; N330-D428 PolarHBondContact ND2-OD2 3.02Å
331	M	88.5	Confident	77	Confident	102 Å²	102	78.5 Å²	78.5	50%	0.502	41%	0.414	S	S	.	.	H	α-helix	trans	-62.6	-36.1	-173.5	-63.6	-55.5	-62.3	0	0	112.4	P329 L333 Q334 V335	P329-M331 HydrophobicContact CG-SD 3.99Å; P329-M331 PolarHBondContact O-N 2.84Å; P329-M331 VanDerWaalsContact O-N 3.12Å; M331-L333 VanDerWaalsContact C-N 3.35Å; M331-Q334 PolarHBondContact O-N 3.5Å; M331-V335 WeakPolarHBondContact O-CG2 3.2Å; M331-V335 PolarHBondContact O-N 3.22Å; M331-V335 VanDerWaalsContact O-N 3.08Å
332	E	83.6	Confident	79	Confident	87 Å²	87	77.7 Å²	77.7	41%	0.407	41%	0.407	S	S	.	.	H	α-helix	trans	-62.4	-46.2	176.1	-59.9	-173.1	160.8	0	0	110.5	N330 Q334 V335 I336	N330-E332 VanDerWaalsContact C-N 3.3Å; N330-E332 PolarHBondContact O-N 2.65Å; N330-E332 PolarHBondContact OD1-N 3.41Å; E332-Q334 VanDerWaalsContact C-N 3.34Å; E332-Q334 PolarHBondContact O-N 3.06Å; E332-V335 PolarHBondContact O-N 3.47Å; E332-I336 WeakPolarHBondContact O-CG1 3.44Å; E332-I336 PolarHBondContact O-N 3.08Å
333	L	86.6	Confident	80.8	Confident	4 Å²	4	74 Å²	74	2%	0.021	38%	0.38	C	S	.	.	H	α-helix	trans	-67.6	-34.7	178.2	-170	61.8	0	0	0	112.3	N330 M331 I336 Q337 F400 Q431	N330-L333 HydrophobicContact CB-CB 4.02Å; N330-L333 PolarHBondContact O-N 3.23Å; N330-L333 PolarHBondContact OD1-N 3.03Å; N330-L333 VanDerWaalsContact OD1-N 3.16Å; M331-L333 VanDerWaalsContact C-N 3.35Å; L333-I336 PolarHBondContact O-N 3.44Å; L333-Q337 HydrophobicContact CG-CG 4.44Å; L333-Q337 WeakPolarHBondContact O-CB 3.41Å; L333-Q337 VanDerWaalsContact O-CG 3.32Å; L333-Q337 WeakPolarHBondContact O-CG 3.38Å; L333-Q337 PolarHBondContact O-N 3.49Å; L333-F400 HydrophobicContact CD2-CE1 3.69Å; L333-F400 HydrophobicContact CD2-CE2 3.96Å; L333-F400 HydrophobicContact CD2-CZ 3.23Å; L333-F400 HydrophobicContact CG-CZ 4.48Å; L333-Q431 HydrophobicContact CD1-CB 4.46Å; L333-Q431 HydrophobicContact CD1-CG 4.06Å; L333-Q431 HydrophobicContact CD2-CB 3.94Å; L333-Q431 HydrophobicContact CD2-CG 3.78Å; L333-Q431 HydrophobicContact CG-CG 4.28Å
334	Q	87.7	Confident	82.7	Confident	54 Å²	54	65.4 Å²	65.4	25%	0.252	34%	0.341	S	S	.	.	H	α-helix	trans	-61.6	-44.8	174.8	-77.4	-163	-9.7	0	0	112	P329 N330 M331 E332 I336 Q337 Q338	P329-Q334 HydrophobicContact CB-CG 4.2Å; N330-Q334 WeakPolarHBondContact O-CG 3.32Å; N330-Q334 PolarHBondContact O-N 3.42Å; M331-Q334 PolarHBondContact O-N 3.5Å; E332-Q334 VanDerWaalsContact C-N 3.34Å; E332-Q334 PolarHBondContact O-N 3.06Å; Q334-I336 VanDerWaalsContact C-N 3.33Å; Q334-I336 PolarHBondContact O-N 3.29Å; Q334-Q337 PolarHBondContact O-N 3.13Å; Q334-Q338 WeakPolarHBondContact O-CB 3.45Å; Q334-Q338 PolarHBondContact O-N 3.49Å
335	V	82.1	Confident	84.1	Confident	80 Å²	80	64.8 Å²	64.8	49%	0.485	33%	0.325	S	S	.	.	H	α-helix	trans	-59.6	-46.5	177.2	171.9	0	0	0	0	110.2	M331 E332 Q337 Q338 V339	M331-V335 WeakPolarHBondContact O-CG2 3.2Å; M331-V335 PolarHBondContact O-N 3.22Å; M331-V335 VanDerWaalsContact O-N 3.08Å; E332-V335 PolarHBondContact O-N 3.47Å; V335-Q337 PolarHBondContact O-N 3.23Å; V335-Q338 PolarHBondContact O-N 3.48Å; V335-V339 PolarHBondContact O-N 3.14Å; V335-V339 VanDerWaalsContact O-N 3.12Å
336	I	81.8	Confident	84.6	Confident	3 Å²	3	57.5 Å²	57.5	2%	0.015	30%	0.295	C	S	.	.	H	α-helix	trans	-62.9	-44.1	178.2	-65.2	167.2	0	0	0	111	M264 E332 L333 Q334 Q338 V339 L340 Y432 C435	M264-I336 HydrophobicContact CE-CD1 3.82Å; M264-I336 HydrophobicContact CE-CG1 3.68Å; M264-I336 HydrophobicContact SD-CD1 4.06Å; M264-I336 HydrophobicContact SD-CG1 4.32Å; E332-I336 WeakPolarHBondContact O-CG1 3.44Å; E332-I336 PolarHBondContact O-N 3.08Å; L333-I336 PolarHBondContact O-N 3.44Å; Q334-I336 VanDerWaalsContact C-N 3.33Å; Q334-I336 PolarHBondContact O-N 3.29Å; I336-Q338 VanDerWaalsContact C-N 3.29Å; I336-Q338 PolarHBondContact O-N 3.06Å; I336-V339 PolarHBondContact O-N 2.92Å; I336-L340 WeakPolarHBondContact O-CB 3.32Å; I336-L340 PolarHBondContact O-N 3.07Å; I336-Y432 HydrophobicContact CD1-CD2 3.61Å; I336-Y432 HydrophobicContact CD1-CE2 3.33Å; I336-C435 HydrophobicContact CG2-CB 3.69Å
337	Q	88.1	Confident	84.7	Confident	1 Å²	1	53.1 Å²	53.1	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-66.2	-31.1	178.1	-77.2	179.7	-20.7	0	0	112.6	L333 Q334 V335 R341 I397 H401	L333-Q337 HydrophobicContact CG-CG 4.44Å; L333-Q337 WeakPolarHBondContact O-CB 3.41Å; L333-Q337 VanDerWaalsContact O-CG 3.32Å; L333-Q337 WeakPolarHBondContact O-CG 3.38Å; L333-Q337 PolarHBondContact O-N 3.49Å; Q334-Q337 PolarHBondContact O-N 3.13Å; V335-Q337 PolarHBondContact O-N 3.23Å; Q337-R341 WeakPolarHBondContact O-CB 3.5Å; Q337-R341 VanDerWaalsContact O-CG 3.22Å; Q337-R341 WeakPolarHBondContact O-CG 3.49Å; Q337-R341 PolarHBondContact O-N 2.93Å; Q337-I397 HydrophobicContact CB-CG2 4.33Å; Q337-I397 HydrophobicContact CG-CG2 4.19Å; Q337-H401 PolarHBondContact OE1-CE1 3.49Å; Q337-H401 PolarHBondContact OE1-NE2 3.3Å; Q337-H401 VanDerWaalsContact OE1-NE2 3.15Å
338	Q	85.2	Confident	84.9	Confident	134 Å²	134	50 Å²	50	63%	0.626	25%	0.248	S	C	*	.	H	α-helix	trans	-66.9	-46.5	175	-174.8	177.3	7.9	0	0	111.2	Q334 V335 I336 R341 R342	Q334-Q338 WeakPolarHBondContact O-CB 3.45Å; Q334-Q338 PolarHBondContact O-N 3.49Å; V335-Q338 PolarHBondContact O-N 3.48Å; I336-Q338 VanDerWaalsContact C-N 3.29Å; I336-Q338 PolarHBondContact O-N 3.06Å; Q338-R341 PolarHBondContact O-N 3.36Å; Q338-R342 PolarHBondContact O-N 3.22Å; Q338-R342 VanDerWaalsContact O-N 3.16Å
339	V	80.4	Confident	84.5	Confident	37 Å²	37	47.9 Å²	47.9	22%	0.224	24%	0.241	C	C	.	.	H	α-helix	trans	-59	-51	172.9	175.7	0	0	0	0	109.8	V335 I336 R341 R342 E343	V335-V339 PolarHBondContact O-N 3.14Å; V335-V339 VanDerWaalsContact O-N 3.12Å; I336-V339 PolarHBondContact O-N 2.92Å; V339-R341 VanDerWaalsContact C-N 3.32Å; V339-R341 PolarHBondContact O-N 3.18Å; V339-R342 WeakPolarHBondContact O-CB 3.47Å; V339-R342 PolarHBondContact O-N 2.8Å; V339-R342 VanDerWaalsContact O-N 3.11Å; V339-E343 HydrophobicContact CG1-CG 4.31Å; V339-E343 WeakPolarHBondContact O-CG 3.44Å; V339-E343 PolarHBondContact O-N 2.61Å
340	L	86.5	Confident	83.9	Confident	4 Å²	4	46.7 Å²	46.7	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-58.5	-41.8	-179.5	178	60.8	0	0	0	112.6	I336 R342 E343 L344 I397 C435 C438 L439 L442	I336-L340 WeakPolarHBondContact O-CB 3.32Å; I336-L340 PolarHBondContact O-N 3.07Å; L340-R342 VanDerWaalsContact C-N 3.35Å; L340-R342 PolarHBondContact O-N 2.64Å; L340-E343 PolarHBondContact O-N 2.94Å; L340-L344 HydrophobicContact CD1-CD1 3.91Å; L340-L344 HydrophobicContact CD1-CG 3.9Å; L340-L344 HydrophobicContact CD2-CD1 4.42Å; L340-L344 HydrophobicContact CG-CD1 3.76Å; L340-L344 HydrophobicContact CG-CG 4.22Å; L340-L344 WeakPolarHBondContact O-CB 3.39Å; L340-L344 VanDerWaalsContact O-CG 3.22Å; L340-L344 WeakPolarHBondContact O-CG 3.11Å; L340-L344 PolarHBondContact O-N 2.89Å; L340-I397 HydrophobicContact CD2-CD1 3.9Å; L340-I397 HydrophobicContact CD2-CG1 4.49Å; L340-I397 HydrophobicContact CG-CD1 4.07Å; L340-C435 HydrophobicContact CD2-CB 4Å; L340-C438 HydrophobicContact CD1-CB 3.92Å; L340-C438 HydrophobicContact CD2-CB 4.19Å; L340-L439 HydrophobicContact CD1-CD2 3.75Å; L340-L439 HydrophobicContact CD1-CG 4Å; L340-L442 HydrophobicContact CD1-CD1 4.42Å
341	R	87.9	Confident	83.4	Confident	92 Å²	92	44.4 Å²	44.4	35%	0.347	22%	0.22	S	C	.	.	H	α-helix	trans	-58.8	-47	175.8	-81.5	177.9	-178.9	110.3	-6.8	111.2	Q337 Q338 V339 L344 T345 I397 H401	Q337-R341 WeakPolarHBondContact O-CB 3.5Å; Q337-R341 VanDerWaalsContact O-CG 3.22Å; Q337-R341 WeakPolarHBondContact O-CG 3.49Å; Q337-R341 PolarHBondContact O-N 2.93Å; Q338-R341 PolarHBondContact O-N 3.36Å; V339-R341 VanDerWaalsContact C-N 3.32Å; V339-R341 PolarHBondContact O-N 3.18Å; R341-L344 PolarHBondContact O-N 3.13Å; R341-T345 WeakPolarHBondContact O-CB 3.35Å; R341-T345 PolarHBondContact O-N 3.05Å; R341-T345 PolarHBondContact O-OG1 3.03Å; R341-I397 HydrophobicContact CG-CD1 3.93Å; R341-I397 VanDerWaalsContact CZ-CG2 3.41Å; R341-I397 VanDerWaalsContact NH2-CG2 3.26Å; R341-H401 PolarHBondContact NH2-CD2 3.26Å; R341-H401 VanDerWaalsContact NH2-CD2 3.34Å; R341-H401 PolarHBondContact NH2-NE2 3.49Å
342	R	84.2	Confident	83	Confident	131 Å²	131	42 Å²	42	49%	0.494	21%	0.211	S	C	.	.	H	α-helix	trans	-59.4	-48.6	178.6	-173.9	-175.2	68.8	-175.8	1.7	111.4	H251 Q338 V339 L340 T345 A346	H251-R342 PolarHBondContact CE1-NH2 3.38Å; Q338-R342 PolarHBondContact O-N 3.22Å; Q338-R342 VanDerWaalsContact O-N 3.16Å; V339-R342 WeakPolarHBondContact O-CB 3.47Å; V339-R342 PolarHBondContact O-N 2.8Å; V339-R342 VanDerWaalsContact O-N 3.11Å; L340-R342 VanDerWaalsContact C-N 3.35Å; L340-R342 PolarHBondContact O-N 2.64Å; R342-T345 PolarHBondContact O-N 2.95Å; R342-A346 PolarHBondContact O-N 2.96Å
343	E	80.8	Confident	82.5	Confident	5 Å²	5	42.7 Å²	42.7	2%	0.023	22%	0.217	C	C	.	.	H	α-helix	trans	-66.8	-37.5	-179.6	-58.2	-47	133.2	0	0	112.1	H251 L252 V339 L340 A346 A347 L439 L442	H251-E343 IonicContact CE1-OE1 2.74Å; H251-E343 PolarHBondContact CE1-OE1 2.91Å; H251-E343 IonicContact ND1-OE1 3.11Å; H251-E343 IonicContact ND1-OE2 2.81Å; L252-E343 HydrophobicContact CD2-CB 4.2Å; L252-E343 HydrophobicContact CD2-CG 4.09Å; L252-E343 WeakPolarHBondContact CD2-OE2 3.33Å; V339-E343 HydrophobicContact CG1-CG 4.31Å; V339-E343 WeakPolarHBondContact O-CG 3.44Å; V339-E343 PolarHBondContact O-N 2.61Å; L340-E343 PolarHBondContact O-N 2.94Å; E343-A346 PolarHBondContact O-N 3.17Å; E343-A347 WeakPolarHBondContact O-CB 3.22Å; E343-A347 PolarHBondContact O-N 2.93Å; E343-L439 HydrophobicContact CG-CD2 4.4Å; E343-L442 HydrophobicContact CB-CD1 4.15Å
344	L	88	Confident	81.8	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-63.8	-41.2	173.2	-74	170.1	0	0	0	111.5	L340 R341 A347 A348 V390 R393 M394 I397 L442	L340-L344 HydrophobicContact CD1-CD1 3.91Å; L340-L344 HydrophobicContact CD1-CG 3.9Å; L340-L344 HydrophobicContact CD2-CD1 4.42Å; L340-L344 HydrophobicContact CG-CD1 3.76Å; L340-L344 HydrophobicContact CG-CG 4.22Å; L340-L344 WeakPolarHBondContact O-CB 3.39Å; L340-L344 VanDerWaalsContact O-CG 3.22Å; L340-L344 WeakPolarHBondContact O-CG 3.11Å; L340-L344 PolarHBondContact O-N 2.89Å; R341-L344 PolarHBondContact O-N 3.13Å; L344-A347 PolarHBondContact O-N 3.37Å; L344-A348 WeakPolarHBondContact O-CB 3.31Å; L344-A348 PolarHBondContact O-N 2.85Å; L344-V390 HydrophobicContact CB-CG1 4.18Å; L344-V390 HydrophobicContact CD2-CB 4.36Å; L344-V390 HydrophobicContact CD2-CG1 3.86Å; L344-V390 HydrophobicContact CD2-CG2 4.34Å; L344-V390 WeakPolarHBondContact O-CG1 3.41Å; L344-R393 HydrophobicContact CD1-CB 3.96Å; L344-R393 HydrophobicContact CD2-CB 3.99Å; L344-M394 HydrophobicContact CB-CE 3.63Å; L344-M394 HydrophobicContact CB-CG 3.94Å; L344-M394 HydrophobicContact CD1-CG 4.06Å; L344-M394 WeakPolarHBondContact O-CE 3.34Å; L344-I397 HydrophobicContact CD1-CD1 3.77Å; L344-L442 HydrophobicContact CD2-CD1 3.89Å; L344-L442 HydrophobicContact CD2-CD2 4.32Å; L344-L442 HydrophobicContact CD2-CG 4.4Å; L344-L442 HydrophobicContact CG-CD1 4.24Å
345	T	86.1	Confident	81.4	Confident	48 Å²	48	41.4 Å²	41.4	29%	0.294	22%	0.216	S	C	.	.	H	α-helix	trans	-65.4	-43.2	178.5	-63	0	0	0	0	111.3	R341 R342 A348 N349	R341-T345 WeakPolarHBondContact O-CB 3.35Å; R341-T345 PolarHBondContact O-N 3.05Å; R341-T345 PolarHBondContact O-OG1 3.03Å; R342-T345 PolarHBondContact O-N 2.95Å; T345-A348 PolarHBondContact O-N 3.25Å; T345-N349 PolarHBondContact O-N 2.85Å; T345-N349 VanDerWaalsContact O-N 3.11Å; T345-N349 PolarHBondContact O-ND2 2.8Å
346	A	78.8	Confident	81	Confident	23 Å²	23	42.5 Å²	42.5	19%	0.19	22%	0.218	C	C	.	.	H	α-helix	trans	-57.6	-49.7	171.9	0	0	0	0	0	111	R342 E343 A348 N349 D350	R342-A346 PolarHBondContact O-N 2.96Å; E343-A346 PolarHBondContact O-N 3.17Å; A346-A348 VanDerWaalsContact C-N 3.35Å; A346-A348 PolarHBondContact O-N 3.06Å; A346-N349 PolarHBondContact O-N 3.27Å; A346-N349 VanDerWaalsContact O-N 3.13Å; A346-D350 VanDerWaalsContact O-CG 3.31Å; A346-D350 PolarHBondContact O-N 3.46Å
347	A	77.8	Confident	80.8	Confident	1 Å²	1	46.8 Å²	46.8	1%	0.008	23%	0.234	C	C	.	.	H	α-helix	trans	-61.2	-37.6	178.8	0	0	0	0	0	114.2	E343 L344 C351 V390 L442 Y446	E343-A347 WeakPolarHBondContact O-CB 3.22Å; E343-A347 PolarHBondContact O-N 2.93Å; L344-A347 PolarHBondContact O-N 3.37Å; A347-C351 WeakPolarHBondContact O-CB 3.26Å; A347-C351 PolarHBondContact O-N 2.72Å; A347-C351 PolarHBondContact O-SG 3.5Å; A347-V390 HydrophobicContact CB-CG1 4.43Å; A347-V390 HydrophobicContact CB-CG2 4.24Å; A347-L442 HydrophobicContact CB-CD2 3.63Å; A347-Y446 WeakPolarHBondContact CA-OH 3.09Å; A347-Y446 HydrophobicContact CB-CE2 4.1Å; A347-Y446 WeakPolarHBondContact CB-OH 3.28Å; A347-Y446 PolarHBondContact N-OH 3.5Å
348	A	84.9	Confident	80	Confident	9 Å²	9	46.9 Å²	46.9	7%	0.074	24%	0.235	C	C	.	.	H	α-helix	trans	-65.1	-41	175.7	0	0	0	0	0	111.9	L344 T345 A346 T352 V390 M391 M394	L344-A348 WeakPolarHBondContact O-CB 3.31Å; L344-A348 PolarHBondContact O-N 2.85Å; T345-A348 PolarHBondContact O-N 3.25Å; A346-A348 VanDerWaalsContact C-N 3.35Å; A346-A348 PolarHBondContact O-N 3.06Å; A348-T352 WeakPolarHBondContact O-CB 3.45Å; A348-T352 PolarHBondContact O-N 3.35Å; A348-T352 PolarHBondContact O-OG1 3.36Å; A348-V390 HydrophobicContact CB-CG1 3.93Å; A348-M391 HydrophobicContact CB-SD 4.29Å; A348-M394 HydrophobicContact CB-CE 4.03Å
349	N	79.5	Confident	79.6	Confident	89 Å²	89	43.7 Å²	43.7	48%	0.476	22%	0.22	S	C	.	.	H	α-helix	trans	-67.9	-45	177.1	-72.1	-21.2	0	0	0	111.4	T345 A346 C351 T352 N353	T345-N349 PolarHBondContact O-N 2.85Å; T345-N349 VanDerWaalsContact O-N 3.11Å; T345-N349 PolarHBondContact O-ND2 2.8Å; A346-N349 PolarHBondContact O-N 3.27Å; A346-N349 VanDerWaalsContact O-N 3.13Å; N349-C351 PolarHBondContact O-N 3.34Å; N349-T352 WeakPolarHBondContact O-CB 3.16Å; N349-T352 PolarHBondContact O-N 2.73Å; N349-T352 VanDerWaalsContact O-N 3.1Å; N349-N353 PolarHBondContact O-N 3.11Å; N349-N353 PolarHBondContact O-ND2 3.11Å
350	D	75	Confident	79.3	Confident	26 Å²	26	46 Å²	46	14%	0.139	23%	0.23	C	C	.	.	H	α-helix	trans	-60.1	-47.1	177.3	-70	-19.1	0	0	0	111.5	A346 T352 N353 A354 Y446	A346-D350 VanDerWaalsContact O-CG 3.31Å; A346-D350 PolarHBondContact O-N 3.46Å; D350-T352 VanDerWaalsContact C-N 3.28Å; D350-T352 PolarHBondContact O-N 3.32Å; D350-N353 PolarHBondContact O-N 3.41Å; D350-A354 WeakPolarHBondContact O-CB 3.45Å; D350-A354 PolarHBondContact O-N 2.81Å; D350-Y446 HydrophobicContact CB-CE1 4.4Å; D350-Y446 PolarHBondContact OD2-OH 3.42Å
351	C	78.8	Confident	78.6	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.007	24%	0.241	C	C	.	.	H	α-helix	trans	-59.3	-39.9	174.2	-73.9	0	0	0	0	111.7	A347 N349 A354 L355 F383 R387	A347-C351 WeakPolarHBondContact O-CB 3.26Å; A347-C351 PolarHBondContact O-N 2.72Å; A347-C351 PolarHBondContact O-SG 3.5Å; N349-C351 PolarHBondContact O-N 3.34Å; C351-A354 PolarHBondContact O-N 2.89Å; C351-L355 WeakPolarHBondContact O-CB 3.18Å; C351-L355 WeakPolarHBondContact O-CD1 3.36Å; C351-L355 WeakPolarHBondContact O-CG 3.38Å; C351-L355 PolarHBondContact O-N 2.64Å; C351-F383 HydrophobicContact CB-CD1 4.27Å; C351-R387 HydrophobicContact CB-CB 3.93Å; C351-R387 HydrophobicContact CB-CG 4.39Å
352	T	79.6	Confident	77.9	Confident	51 Å²	51	44.8 Å²	44.8	31%	0.313	23%	0.229	S	C	.	.	H	α-helix	trans	-65.7	-43.2	178.6	-60.8	0	0	0	0	111.6	A348 N349 D350 L355 L356 R387	A348-T352 WeakPolarHBondContact O-CB 3.45Å; A348-T352 PolarHBondContact O-N 3.35Å; A348-T352 PolarHBondContact O-OG1 3.36Å; N349-T352 WeakPolarHBondContact O-CB 3.16Å; N349-T352 PolarHBondContact O-N 2.73Å; N349-T352 VanDerWaalsContact O-N 3.1Å; D350-T352 VanDerWaalsContact C-N 3.28Å; D350-T352 PolarHBondContact O-N 3.32Å; T352-L355 PolarHBondContact O-N 3.5Å; T352-L356 PolarHBondContact O-N 3.12Å; T352-R387 PolarHBondContact OG1-NH1 2.71Å
353	N	71.9	Confident	77.7	Confident	102 Å²	102	45.8 Å²	45.8	55%	0.545	24%	0.239	S	C	.	.	H	α-helix	trans	-64.3	-44.8	176.3	-70.4	-24.3	0	0	0	111.6	N349 D350 L356 W357	N349-N353 PolarHBondContact O-N 3.11Å; N349-N353 PolarHBondContact O-ND2 3.11Å; D350-N353 PolarHBondContact O-N 3.41Å; N353-L356 PolarHBondContact O-N 3.16Å; N353-W357 WeakPolarHBondContact O-CB 3.4Å; N353-W357 PolarHBondContact O-N 3.31Å
354	A	72.7	Confident	77.4	Confident	22 Å²	22	52.4 Å²	52.4	18%	0.182	27%	0.27	C	S	.	.	H	α-helix	trans	-62.4	-44.1	176.5	0	0	0	0	0	111.7	D350 C351 L356 W357 I358 F383	D350-A354 WeakPolarHBondContact O-CB 3.45Å; D350-A354 PolarHBondContact O-N 2.81Å; C351-A354 PolarHBondContact O-N 2.89Å; A354-L356 VanDerWaalsContact C-N 3.34Å; A354-L356 PolarHBondContact O-N 3.42Å; A354-W357 PolarHBondContact O-N 2.87Å; A354-I358 VanDerWaalsContact O-CG1 3.27Å; A354-I358 WeakPolarHBondContact O-CG1 3.26Å; A354-I358 PolarHBondContact O-N 3.41Å; A354-F383 HydrophobicContact CB-CD1 3.85Å; A354-F383 HydrophobicContact CB-CD2 4.44Å; A354-F383 HydrophobicContact CB-CE1 3.49Å; A354-F383 VanDerWaalsContact CB-CE1 3.49Å; A354-F383 HydrophobicContact CB-CE2 4.14Å; A354-F383 HydrophobicContact CB-CG 4.31Å; A354-F383 HydrophobicContact CB-CZ 3.62Å
355	L	79	Confident	76.7	Confident	10 Å²	10	54.8 Å²	54.8	5%	0.052	28%	0.283	C	S	.	.	H	α-helix	trans	-59.6	-43.8	176	-75	168.3	0	0	0	112	C351 T352 H359 L380 F383 K384	C351-L355 WeakPolarHBondContact O-CB 3.18Å; C351-L355 WeakPolarHBondContact O-CD1 3.36Å; C351-L355 WeakPolarHBondContact O-CG 3.38Å; C351-L355 PolarHBondContact O-N 2.64Å; T352-L355 PolarHBondContact O-N 3.5Å; L355-H359 VanDerWaalsContact O-CG 3.27Å; L355-H359 PolarHBondContact O-N 2.86Å; L355-H359 PolarHBondContact O-ND1 3.24Å; L355-L380 HydrophobicContact CD2-CG 4.19Å; L355-L380 WeakPolarHBondContact CD2-O 3.33Å; L355-F383 HydrophobicContact CD2-CB 3.67Å; L355-F383 HydrophobicContact CG-CB 3.93Å; L355-K384 HydrophobicContact CD1-CG 4.2Å; L355-K384 HydrophobicContact CD2-CG 3.63Å
356	L	75	Confident	76.3	Confident	102 Å²	102	62 Å²	62	53%	0.534	31%	0.313	S	S	.	.	H	α-helix	trans	-62.5	-45.7	175.8	179.4	61.8	0	0	0	111.2	T352 N353 A354 H359 L360	T352-L356 PolarHBondContact O-N 3.12Å; N353-L356 PolarHBondContact O-N 3.16Å; A354-L356 VanDerWaalsContact C-N 3.34Å; A354-L356 PolarHBondContact O-N 3.42Å; L356-H359 PolarHBondContact O-N 2.85Å; L356-L360 HydrophobicContact CG-CD1 4.39Å; L356-L360 WeakPolarHBondContact O-CG 3.44Å; L356-L360 PolarHBondContact O-N 3.34Å
357	W	76.2	Confident	76.3	Confident	94 Å²	94	64.9 Å²	64.9	36%	0.356	33%	0.325	S	S	.	.	H	α-helix	trans	-59.3	-47.8	177.8	-178.8	89.5	0	0	0	111.6	N353 A354 H359 L360 H361 F376 I457	N353-W357 WeakPolarHBondContact O-CB 3.4Å; N353-W357 PolarHBondContact O-N 3.31Å; A354-W357 PolarHBondContact O-N 2.87Å; W357-H359 PolarHBondContact O-N 3.03Å; W357-L360 PolarHBondContact O-N 3.23Å; W357-H361 AromaticContact CD1-CE1 3.64Å; W357-H361 AromaticContact CD2-CE1 3.65Å; W357-H361 AromaticContact CD2-ND1 3.64Å; W357-H361 AromaticContact CE2-CE1 3.06Å; W357-H361 AromaticContact CE2-ND1 3.54Å; W357-H361 AromaticContact CE2-NE2 3.65Å; W357-H361 AromaticContact CG-CE1 3.97Å; W357-H361 AromaticContact CZ2-CE1 3.37Å; W357-H361 WeakPolarHBondContact CZ2-CE1 3.3Å; W357-H361 AromaticContact CZ2-ND1 3.87Å; W357-H361 AromaticContact CZ2-NE2 3.45Å; W357-H361 WeakPolarHBondContact CZ2-NE2 3.46Å; W357-H361 AromaticContact NE1-CE1 3.1Å; W357-H361 PolarHBondContact NE1-CE1 2.87Å; W357-H361 AromaticContact NE1-ND1 3.85Å; W357-H361 AromaticContact NE1-NE2 3.87Å; W357-H361 PolarHBondContact O-N 3.19Å; W357-H361 VanDerWaalsContact O-N 3.14Å; W357-H361 PolarHBondContact O-ND1 3.48Å; W357-F376 HydrophobicContact CH2-CE1 4.22Å; W357-F376 AromaticContact CZ3-CE1 3.94Å; W357-F376 HydrophobicContact CZ3-CE1 3.94Å; W357-I457 HydrophobicContact CH2-CD1 3.95Å
358	I	71.1	Confident	76.4	Confident	3 Å²	3	71.3 Å²	71.3	2%	0.015	35%	0.353	C	S	.	.	H	α-helix	trans	-63.2	-42.4	178.4	-62.3	164.6	0	0	0	111.2	A354 L360 H361 L362 F376 V379 L380 F383	A354-I358 VanDerWaalsContact O-CG1 3.27Å; A354-I358 WeakPolarHBondContact O-CG1 3.26Å; A354-I358 PolarHBondContact O-N 3.41Å; I358-L360 VanDerWaalsContact C-N 3.33Å; I358-L360 PolarHBondContact O-N 3.43Å; I358-H361 PolarHBondContact O-N 3.2Å; I358-L362 HydrophobicContact CG2-CD1 3.89Å; I358-L362 HydrophobicContact CG2-CG 4.18Å; I358-L362 WeakPolarHBondContact O-CG 3.49Å; I358-L362 PolarHBondContact O-N 2.92Å; I358-F376 HydrophobicContact CG2-CB 4.34Å; I358-F376 HydrophobicContact CG2-CD1 3.86Å; I358-V379 HydrophobicContact CD1-CG1 3.76Å; I358-L380 HydrophobicContact CG2-CB 3.99Å; I358-L380 HydrophobicContact CG2-CD1 4.11Å; I358-F383 HydrophobicContact CD1-CD2 3.76Å; I358-F383 HydrophobicContact CD1-CE2 4.02Å
359	H	77	Confident	76.3	Confident	67 Å²	67	76.9 Å²	76.9	31%	0.31	39%	0.386	S	S	.	.	H	α-helix	trans	-59.4	-43.3	177.1	-73.3	137.1	0	0	0	112	L355 L356 W357 H361 L362 E363 L380	L355-H359 VanDerWaalsContact O-CG 3.27Å; L355-H359 PolarHBondContact O-N 2.86Å; L355-H359 PolarHBondContact O-ND1 3.24Å; L356-H359 PolarHBondContact O-N 2.85Å; W357-H359 PolarHBondContact O-N 3.03Å; H359-H361 VanDerWaalsContact C-N 3.3Å; H359-H361 PolarHBondContact O-N 3.04Å; H359-L362 PolarHBondContact O-N 3.15Å; H359-E363 WeakPolarHBondContact O-CG 3.49Å; H359-E363 PolarHBondContact O-N 3.06Å; H359-L380 VanDerWaalsContact CD2-CD1 3.49Å; H359-L380 WeakPolarHBondContact CD2-CD1 3.38Å; H359-L380 WeakPolarHBondContact NE2-CD1 3.46Å
360	L	73.8	Confident	76.3	Confident	86 Å²	86	73.7 Å²	73.7	45%	0.45	37%	0.37	S	S	.	.	H	α-helix	trans	-61	-39	176.4	-69.3	170.4	0	0	0	112	L356 W357 I358 Q364	L356-L360 HydrophobicContact CG-CD1 4.39Å; L356-L360 WeakPolarHBondContact O-CG 3.44Å; L356-L360 PolarHBondContact O-N 3.34Å; W357-L360 PolarHBondContact O-N 3.23Å; I358-L360 VanDerWaalsContact C-N 3.33Å; I358-L360 PolarHBondContact O-N 3.43Å; L360-Q364 WeakPolarHBondContact O-CG 3.27Å; L360-Q364 PolarHBondContact O-N 3.43Å
361	H	72.7	Confident	76.4	Confident	52 Å²	52	78.9 Å²	78.9	24%	0.241	39%	0.394	C	S	.	.	H	α-helix	trans	-68.7	-43.1	176.5	-73.1	70.4	0	0	0	111.8	W357 I358 H359 E363 Q364 L365 F376	W357-H361 AromaticContact CD1-CE1 3.64Å; W357-H361 AromaticContact CD2-CE1 3.65Å; W357-H361 AromaticContact CD2-ND1 3.64Å; W357-H361 AromaticContact CE2-CE1 3.06Å; W357-H361 AromaticContact CE2-ND1 3.54Å; W357-H361 AromaticContact CE2-NE2 3.65Å; W357-H361 AromaticContact CG-CE1 3.97Å; W357-H361 AromaticContact CZ2-CE1 3.37Å; W357-H361 WeakPolarHBondContact CZ2-CE1 3.3Å; W357-H361 AromaticContact CZ2-ND1 3.87Å; W357-H361 AromaticContact CZ2-NE2 3.45Å; W357-H361 WeakPolarHBondContact CZ2-NE2 3.46Å; W357-H361 AromaticContact NE1-CE1 3.1Å; W357-H361 PolarHBondContact NE1-CE1 2.87Å; W357-H361 AromaticContact NE1-ND1 3.85Å; W357-H361 AromaticContact NE1-NE2 3.87Å; W357-H361 PolarHBondContact O-N 3.19Å; W357-H361 VanDerWaalsContact O-N 3.14Å; W357-H361 PolarHBondContact O-ND1 3.48Å; I358-H361 PolarHBondContact O-N 3.2Å; H359-H361 VanDerWaalsContact C-N 3.3Å; H359-H361 PolarHBondContact O-N 3.04Å; H361-E363 VanDerWaalsContact C-N 3.27Å; H361-E363 PolarHBondContact O-N 2.99Å; H361-Q364 PolarHBondContact O-N 3.34Å; H361-Q364 VanDerWaalsContact O-N 3.1Å; H361-L365 WeakPolarHBondContact O-CG 3.31Å; H361-L365 PolarHBondContact O-N 3.09Å; H361-L365 VanDerWaalsContact O-N 3.13Å; H361-F376 HydrophobicContact CB-CE1 4.39Å
362	L	73.6	Confident	76	Confident	18 Å²	18	83.3 Å²	83.3	9%	0.094	41%	0.411	C	S	.	.	H	α-helix	trans	-61.1	-34	176.8	-76.3	171.2	0	0	0	112.9	I358 H359 Q364 L365 Y373 F376 L377 L380	I358-L362 HydrophobicContact CG2-CD1 3.89Å; I358-L362 HydrophobicContact CG2-CG 4.18Å; I358-L362 WeakPolarHBondContact O-CG 3.49Å; I358-L362 PolarHBondContact O-N 2.92Å; H359-L362 PolarHBondContact O-N 3.15Å; L362-Q364 VanDerWaalsContact C-N 3.34Å; L362-L365 HydrophobicContact CD2-CD1 4.36Å; L362-Y373 HydrophobicContact CD2-CD2 3.52Å; L362-Y373 HydrophobicContact CD2-CE2 3.61Å; L362-Y373 HydrophobicContact CD2-CG 4.27Å; L362-F376 HydrophobicContact CD2-CB 3.65Å; L362-F376 HydrophobicContact CD2-CG 4.47Å; L362-F376 HydrophobicContact CG-CB 4.18Å; L362-L377 HydrophobicContact CD1-CD2 4.04Å; L362-L380 HydrophobicContact CD1-CD1 3.47Å; L362-L380 VanDerWaalsContact CD1-CD1 3.47Å
363	E	79.9	Confident	76	Confident	151 Å²	151	83.4 Å²	83.4	71%	0.706	41%	0.406	S	S	*	.	H	α-helix	trans	-71.6	-27.8	175.6	-73.4	-177.1	176	0	0	113.2	H359 H361	H359-E363 WeakPolarHBondContact O-CG 3.49Å; H359-E363 PolarHBondContact O-N 3.06Å; H361-E363 VanDerWaalsContact C-N 3.27Å; H361-E363 PolarHBondContact O-N 2.99Å
364	Q	74.5	Confident	76.6	Confident	144 Å²	144	81.3 Å²	81.3	67%	0.673	40%	0.4	S	S	*	.	H	α-helix	trans	-82.2	-22.5	177.9	-70.1	176.1	4.6	0	0	113.3	L360 H361 L362 E366	L360-Q364 WeakPolarHBondContact O-CG 3.27Å; L360-Q364 PolarHBondContact O-N 3.43Å; H361-Q364 PolarHBondContact O-N 3.34Å; H361-Q364 VanDerWaalsContact O-N 3.1Å; L362-Q364 VanDerWaalsContact C-N 3.34Å; Q364-E366 PolarHBondContact O-N 3.21Å
365	L	72.8	Confident	76.7	Confident	52 Å²	52	82.5 Å²	82.5	27%	0.272	40%	0.401	S	S	.	.			trans	-69.1	112.3	177.6	-71.8	172.8	0	0	0	110.8	H361 L362 D367 Y373 F376	H361-L365 WeakPolarHBondContact O-CG 3.31Å; H361-L365 PolarHBondContact O-N 3.09Å; H361-L365 VanDerWaalsContact O-N 3.13Å; L362-L365 HydrophobicContact CD2-CD1 4.36Å; L365-D367 VanDerWaalsContact C-N 3.34Å; L365-Y373 HydrophobicContact CD1-CD2 4.29Å; L365-F376 HydrophobicContact CD1-CD2 4.08Å; L365-F376 HydrophobicContact CD1-CE2 4.44Å
366	E	76.6	Confident	76.4	Confident	200 Å²	200	84.2 Å²	84.2	94%	0.935	41%	0.409	S	S	*	.	S	Bend	trans	-65.7	-38.9	175.3	-63.8	-172.1	165.6	0	0	111.7	Q364	Q364-E366 PolarHBondContact O-N 3.21Å
367	D	80.3	Confident	76.9	Confident	83 Å²	83	82.4 Å²	82.4	44%	0.444	40%	0.399	S	S	.	.			trans	-99.9	97.8	-176.5	-173.6	8.2	0	0	0	112.6	L365 T369 S370	L365-D367 VanDerWaalsContact C-N 3.34Å; D367-T369 PolarHBondContact O-N 2.95Å; D367-T369 WeakPolarHBondContact OD1-CA 3.34Å; D367-T369 WeakPolarHBondContact OD1-CB 3.3Å; D367-T369 PolarHBondContact OD1-N 3.2Å; D367-T369 PolarHBondContact OD1-OG1 3.35Å; D367-T369 PolarHBondContact OD2-OG1 2.93Å; D367-S370 WeakPolarHBondContact O-CB 3.49Å; D367-S370 PolarHBondContact O-N 3.38Å; D367-S370 PolarHBondContact O-OG 3.44Å
368	K	80	Confident	77.3	Confident	136 Å²	136	84 Å²	84	59%	0.591	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	0.9	174.9	-58.1	-171.4	179	-171.8	0	114.1	Y373	K368-Y373 HydrophobicContact CB-CD1 4.25Å; K368-Y373 HydrophobicContact CB-CD2 4.2Å; K368-Y373 HydrophobicContact CB-CE1 4.14Å; K368-Y373 HydrophobicContact CB-CE2 4.1Å; K368-Y373 HydrophobicContact CB-CG 4.28Å; K368-Y373 HydrophobicContact CD-CE2 4.18Å; K368-Y373 HydrophobicContact CG-CD2 4.12Å; K368-Y373 HydrophobicContact CG-CE2 3.8Å; K368-Y373 WeakPolarHBondContact O-CD1 3.32Å
369	T	81.8	Confident	77.5	Confident	125 Å²	125	85 Å²	85	77%	0.767	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-5.3	173.7	68.7	0	0	0	0	112.6	D367	D367-T369 PolarHBondContact O-N 2.95Å; D367-T369 WeakPolarHBondContact OD1-CA 3.34Å; D367-T369 WeakPolarHBondContact OD1-CB 3.3Å; D367-T369 PolarHBondContact OD1-N 3.2Å; D367-T369 PolarHBondContact OD1-OG1 3.35Å; D367-T369 PolarHBondContact OD2-OG1 2.93Å
370	S	80.3	Confident	77.8	Confident	22 Å²	22	82.3 Å²	82.3	15%	0.154	40%	0.404	C	S	.	.	S	Bend	trans	-61.9	144.5	177.2	63.2	0	0	0	0	111.8	D367 Y372 Y373 S374	D367-S370 WeakPolarHBondContact O-CB 3.49Å; D367-S370 PolarHBondContact O-N 3.38Å; D367-S370 PolarHBondContact O-OG 3.44Å; S370-Y372 PolarHBondContact O-N 2.91Å; S370-Y373 WeakPolarHBondContact O-CB 3.12Å; S370-Y373 PolarHBondContact O-N 2.68Å; S370-Y373 VanDerWaalsContact O-N 3.07Å; S370-Y373 WeakPolarHBondContact OG-CB 3.41Å; S370-Y373 PolarHBondContact OG-N 3.27Å; S370-Y373 VanDerWaalsContact OG-N 3.14Å; S370-S374 PolarHBondContact O-N 2.85Å
371	E	76.5	Confident	78.5	Confident	135 Å²	135	81.3 Å²	81.3	63%	0.631	40%	0.402	S	S	*	.	H	α-helix	trans	-55.7	-35.1	172.2	-169.3	-179.4	162.9	0	0	110.8	Y373 S374 Q375	E371-Y373 PolarHBondContact O-N 2.78Å; E371-S374 WeakPolarHBondContact O-CB 3.34Å; E371-S374 PolarHBondContact O-N 3.05Å; E371-S374 VanDerWaalsContact O-N 3.14Å; E371-Q375 WeakPolarHBondContact O-CG 3.34Å; E371-Q375 PolarHBondContact O-N 3.4Å; E371-Q375 PolarHBondContact OE1-NE2 3.25Å; E371-Q375 VanDerWaalsContact OE1-NE2 3.16Å
372	Y	71	Confident	79	Confident	94 Å²	94	80.9 Å²	80.9	37%	0.369	41%	0.407	S	S	.	.	H	α-helix	trans	-59.5	-46.6	174.6	-52.2	-50.6	0	0	0	112.6	S370 S374 Q375 F376 Q460	S370-Y372 PolarHBondContact O-N 2.91Å; Y372-S374 PolarHBondContact O-N 3.26Å; Y372-Q375 PolarHBondContact O-N 2.89Å; Y372-Q375 VanDerWaalsContact O-N 3.16Å; Y372-F376 WeakPolarHBondContact O-CB 3.13Å; Y372-F376 WeakPolarHBondContact O-CD2 3.46Å; Y372-F376 PolarHBondContact O-N 3.15Å; Y372-Q460 HydrophobicContact CD1-CG 4.49Å; Y372-Q460 HydrophobicContact CE1-CG 4.09Å; Y372-Q460 VanDerWaalsContact CZ-NE2 3.26Å; Y372-Q460 VanDerWaalsContact OH-CD 3.29Å; Y372-Q460 PolarHBondContact OH-NE2 3.29Å; Y372-Q460 PolarHBondContact OH-OE1 3.2Å
373	Y	79.4	Confident	79.4	Confident	53 Å²	53	81 Å²	81	21%	0.208	41%	0.407	C	S	.	.	H	α-helix	trans	-57.5	-41.5	175.9	-177.3	-92	0	0	0	111.2	L362 L365 K368 S370 E371 L377	L362-Y373 HydrophobicContact CD2-CD2 3.52Å; L362-Y373 HydrophobicContact CD2-CE2 3.61Å; L362-Y373 HydrophobicContact CD2-CG 4.27Å; L365-Y373 HydrophobicContact CD1-CD2 4.29Å; K368-Y373 HydrophobicContact CB-CD1 4.25Å; K368-Y373 HydrophobicContact CB-CD2 4.2Å; K368-Y373 HydrophobicContact CB-CE1 4.14Å; K368-Y373 HydrophobicContact CB-CE2 4.1Å; K368-Y373 HydrophobicContact CB-CG 4.28Å; K368-Y373 HydrophobicContact CD-CE2 4.18Å; K368-Y373 HydrophobicContact CG-CD2 4.12Å; K368-Y373 HydrophobicContact CG-CE2 3.8Å; K368-Y373 WeakPolarHBondContact O-CD1 3.32Å; S370-Y373 WeakPolarHBondContact O-CB 3.12Å; S370-Y373 PolarHBondContact O-N 2.68Å; S370-Y373 VanDerWaalsContact O-N 3.07Å; S370-Y373 WeakPolarHBondContact OG-CB 3.41Å; S370-Y373 PolarHBondContact OG-N 3.27Å; S370-Y373 VanDerWaalsContact OG-N 3.14Å; E371-Y373 PolarHBondContact O-N 2.78Å; Y373-L377 HydrophobicContact CD1-CD1 3.83Å; Y373-L377 HydrophobicContact CD1-CG 4.37Å; Y373-L377 HydrophobicContact CE1-CD1 3.34Å; Y373-L377 HydrophobicContact CE1-CG 4.05Å; Y373-L377 WeakPolarHBondContact O-CG 3.19Å; Y373-L377 PolarHBondContact O-N 2.94Å
374	S	84	Confident	79.9	Confident	59 Å²	59	78.9 Å²	78.9	41%	0.413	40%	0.396	S	S	.	.	H	α-helix	trans	-64.1	-44.9	174.9	-173.2	0	0	0	0	112.6	S370 E371 Y372 L377 Q378	S370-S374 PolarHBondContact O-N 2.85Å; E371-S374 WeakPolarHBondContact O-CB 3.34Å; E371-S374 PolarHBondContact O-N 3.05Å; E371-S374 VanDerWaalsContact O-N 3.14Å; Y372-S374 PolarHBondContact O-N 3.26Å; S374-L377 PolarHBondContact O-N 3.39Å; S374-Q378 WeakPolarHBondContact O-CG 3.44Å; S374-Q378 PolarHBondContact O-N 3.47Å; S374-Q378 VanDerWaalsContact O-N 3.08Å
375	Q	75.5	Confident	80.7	Confident	46 Å²	46	78.2 Å²	78.2	22%	0.215	39%	0.393	C	S	.	.	H	α-helix	trans	-62.4	-47.5	177.1	-70.7	171.3	1.9	0	0	111.5	E371 Y372 L377 Q378 V379	E371-Q375 WeakPolarHBondContact O-CG 3.34Å; E371-Q375 PolarHBondContact O-N 3.4Å; E371-Q375 PolarHBondContact OE1-NE2 3.25Å; E371-Q375 VanDerWaalsContact OE1-NE2 3.16Å; Y372-Q375 PolarHBondContact O-N 2.89Å; Y372-Q375 VanDerWaalsContact O-N 3.16Å; Q375-L377 VanDerWaalsContact C-N 3.28Å; Q375-L377 PolarHBondContact O-N 2.84Å; Q375-Q378 WeakPolarHBondContact O-CB 3.38Å; Q375-Q378 PolarHBondContact O-N 3.43Å; Q375-V379 WeakPolarHBondContact O-CG2 3.48Å; Q375-V379 PolarHBondContact O-N 2.94Å
376	F	73.1	Confident	81.4	Confident	46 Å²	46	76.8 Å²	76.8	20%	0.202	38%	0.384	C	S	.	.	H	α-helix	trans	-58.1	-38.9	175.3	-86.1	-71.4	0	0	0	112.4	W357 I358 H361 L362 L365 Y372 V379 L380	W357-F376 HydrophobicContact CH2-CE1 4.22Å; W357-F376 AromaticContact CZ3-CE1 3.94Å; W357-F376 HydrophobicContact CZ3-CE1 3.94Å; I358-F376 HydrophobicContact CG2-CB 4.34Å; I358-F376 HydrophobicContact CG2-CD1 3.86Å; H361-F376 HydrophobicContact CB-CE1 4.39Å; L362-F376 HydrophobicContact CD2-CB 3.65Å; L362-F376 HydrophobicContact CD2-CG 4.47Å; L362-F376 HydrophobicContact CG-CB 4.18Å; L365-F376 HydrophobicContact CD1-CD2 4.08Å; L365-F376 HydrophobicContact CD1-CE2 4.44Å; Y372-F376 WeakPolarHBondContact O-CB 3.13Å; Y372-F376 WeakPolarHBondContact O-CD2 3.46Å; Y372-F376 PolarHBondContact O-N 3.15Å; F376-V379 PolarHBondContact O-N 3.4Å; F376-L380 WeakPolarHBondContact O-CB 3.44Å; F376-L380 PolarHBondContact O-N 2.99Å
377	L	85.6	Confident	82	Confident	64 Å²	64	70.7 Å²	70.7	34%	0.335	35%	0.353	S	S	.	.	H	α-helix	trans	-65.2	-37.5	174.8	-76.6	179.3	0	0	0	112.9	L362 Y373 S374 Q375 T381	L362-L377 HydrophobicContact CD1-CD2 4.04Å; Y373-L377 HydrophobicContact CD1-CD1 3.83Å; Y373-L377 HydrophobicContact CD1-CG 4.37Å; Y373-L377 HydrophobicContact CE1-CD1 3.34Å; Y373-L377 HydrophobicContact CE1-CG 4.05Å; Y373-L377 WeakPolarHBondContact O-CG 3.19Å; Y373-L377 PolarHBondContact O-N 2.94Å; S374-L377 PolarHBondContact O-N 3.39Å; Q375-L377 VanDerWaalsContact C-N 3.28Å; Q375-L377 PolarHBondContact O-N 2.84Å; L377-T381 WeakPolarHBondContact O-CB 3.23Å; L377-T381 PolarHBondContact O-N 3.43Å; L377-T381 PolarHBondContact O-OG1 3.41Å
378	Q	83.8	Confident	82.6	Confident	128 Å²	128	69.7 Å²	69.7	60%	0.598	36%	0.356	S	S	*	.	H	α-helix	trans	-65.7	-47.5	175.4	-69.4	175.4	34.6	0	0	111	S374 Q375 L380 T381 A382	S374-Q378 WeakPolarHBondContact O-CG 3.44Å; S374-Q378 PolarHBondContact O-N 3.47Å; S374-Q378 VanDerWaalsContact O-N 3.08Å; Q375-Q378 WeakPolarHBondContact O-CB 3.38Å; Q375-Q378 PolarHBondContact O-N 3.43Å; Q378-L380 PolarHBondContact O-N 2.9Å; Q378-T381 WeakPolarHBondContact O-CB 3.38Å; Q378-T381 PolarHBondContact O-N 3.29Å; Q378-T381 VanDerWaalsContact O-N 3.16Å; Q378-A382 PolarHBondContact O-N 3.32Å
379	V	76.4	Confident	83.2	Confident	24 Å²	24	65.2 Å²	65.2	15%	0.145	34%	0.339	C	S	.	.	H	α-helix	trans	-60.7	-45.6	176.7	176	0	0	0	0	110.7	I358 Q375 F376 T381 A382 F383 V453	I358-V379 HydrophobicContact CD1-CG1 3.76Å; Q375-V379 WeakPolarHBondContact O-CG2 3.48Å; Q375-V379 PolarHBondContact O-N 2.94Å; F376-V379 PolarHBondContact O-N 3.4Å; V379-T381 VanDerWaalsContact C-N 3.29Å; V379-T381 PolarHBondContact O-N 3.41Å; V379-A382 WeakPolarHBondContact O-CB 3.27Å; V379-A382 PolarHBondContact O-N 3.45Å; V379-A382 VanDerWaalsContact O-N 3.17Å; V379-F383 HydrophobicContact CG1-CD2 3.68Å; V379-F383 HydrophobicContact CG1-CE2 3.57Å; V379-F383 VanDerWaalsContact O-CD2 3.3Å; V379-F383 WeakPolarHBondContact O-CD2 3.26Å; V379-F383 PolarHBondContact O-N 3.44Å; V379-V453 HydrophobicContact CG1-CG2 3.63Å; V379-V453 HydrophobicContact CG2-CG2 4.18Å
380	L	82.1	Confident	83.6	Confident	10 Å²	10	59.3 Å²	59.3	5%	0.052	30%	0.302	C	S	.	.	H	α-helix	trans	-56.4	-43.3	175	178	161.3	0	0	0	111.7	L355 I358 H359 L362 F376 Q378 F383 K384	L355-L380 HydrophobicContact CD2-CG 4.19Å; L355-L380 WeakPolarHBondContact CD2-O 3.33Å; I358-L380 HydrophobicContact CG2-CB 3.99Å; I358-L380 HydrophobicContact CG2-CD1 4.11Å; H359-L380 VanDerWaalsContact CD2-CD1 3.49Å; H359-L380 WeakPolarHBondContact CD2-CD1 3.38Å; H359-L380 WeakPolarHBondContact NE2-CD1 3.46Å; L362-L380 HydrophobicContact CD1-CD1 3.47Å; L362-L380 VanDerWaalsContact CD1-CD1 3.47Å; F376-L380 WeakPolarHBondContact O-CB 3.44Å; F376-L380 PolarHBondContact O-N 2.99Å; Q378-L380 PolarHBondContact O-N 2.9Å; L380-F383 PolarHBondContact O-N 2.9Å; L380-K384 HydrophobicContact CD2-CD 3.73Å; L380-K384 HydrophobicContact CD2-CG 4.27Å; L380-K384 WeakPolarHBondContact O-CG 3.41Å; L380-K384 PolarHBondContact O-N 2.69Å
381	T	88.4	Confident	84.2	Confident	65 Å²	65	61.3 Å²	61.3	40%	0.399	31%	0.31	S	S	.	.	H	α-helix	trans	-63.4	-45.5	177.1	-56.9	0	0	0	0	110.9	L377 Q378 V379 F383 K384 E385	L377-T381 WeakPolarHBondContact O-CB 3.23Å; L377-T381 PolarHBondContact O-N 3.43Å; L377-T381 PolarHBondContact O-OG1 3.41Å; Q378-T381 WeakPolarHBondContact O-CB 3.38Å; Q378-T381 PolarHBondContact O-N 3.29Å; Q378-T381 VanDerWaalsContact O-N 3.16Å; V379-T381 VanDerWaalsContact C-N 3.29Å; V379-T381 PolarHBondContact O-N 3.41Å; T381-F383 VanDerWaalsContact C-N 3.34Å; T381-F383 PolarHBondContact O-N 2.92Å; T381-K384 PolarHBondContact O-N 3.18Å; T381-K384 VanDerWaalsContact O-N 3.14Å; T381-E385 HydrophobicContact CG2-CG 4.5Å; T381-E385 WeakPolarHBondContact O-CG 3.36Å; T381-E385 PolarHBondContact O-N 2.82Å
382	A	83.2	Confident	85.1	Confident	43 Å²	43	57.8 Å²	57.8	36%	0.355	30%	0.295	S	S	.	.	H	α-helix	trans	-59.3	-41.9	177.1	0	0	0	0	0	112.6	Q378 V379 K386	Q378-A382 PolarHBondContact O-N 3.32Å; V379-A382 WeakPolarHBondContact O-CB 3.27Å; V379-A382 PolarHBondContact O-N 3.45Å; V379-A382 VanDerWaalsContact O-N 3.17Å; A382-K386 WeakPolarHBondContact O-CB 3.31Å; A382-K386 PolarHBondContact O-N 2.87Å
383	F	82.9	Confident	86.2	Confident	20 Å²	20	55 Å²	55	9%	0.088	28%	0.284	C	S	.	.	H	α-helix	trans	-67.1	-38.1	175.1	-85.1	-77	0	0	0	112.9	C351 A354 L355 I358 V379 L380 T381 K386 R387 F445 V449 V453	C351-F383 HydrophobicContact CB-CD1 4.27Å; A354-F383 HydrophobicContact CB-CD1 3.85Å; A354-F383 HydrophobicContact CB-CD2 4.44Å; A354-F383 HydrophobicContact CB-CE1 3.49Å; A354-F383 VanDerWaalsContact CB-CE1 3.49Å; A354-F383 HydrophobicContact CB-CE2 4.14Å; A354-F383 HydrophobicContact CB-CG 4.31Å; A354-F383 HydrophobicContact CB-CZ 3.62Å; L355-F383 HydrophobicContact CD2-CB 3.67Å; L355-F383 HydrophobicContact CG-CB 3.93Å; I358-F383 HydrophobicContact CD1-CD2 3.76Å; I358-F383 HydrophobicContact CD1-CE2 4.02Å; V379-F383 HydrophobicContact CG1-CD2 3.68Å; V379-F383 HydrophobicContact CG1-CE2 3.57Å; V379-F383 VanDerWaalsContact O-CD2 3.3Å; V379-F383 WeakPolarHBondContact O-CD2 3.26Å; V379-F383 PolarHBondContact O-N 3.44Å; L380-F383 PolarHBondContact O-N 2.9Å; T381-F383 VanDerWaalsContact C-N 3.34Å; T381-F383 PolarHBondContact O-N 2.92Å; F383-K386 PolarHBondContact O-N 3.44Å; F383-R387 WeakPolarHBondContact O-CB 3.21Å; F383-R387 PolarHBondContact O-N 3.4Å; F383-F445 AromaticContact CD1-CZ 3.88Å; F383-F445 HydrophobicContact CD1-CZ 3.88Å; F383-F445 AromaticContact CE1-CZ 3.92Å; F383-F445 HydrophobicContact CE1-CZ 3.92Å; F383-V449 HydrophobicContact CE1-CG1 3.89Å; F383-V449 HydrophobicContact CE2-CG1 3.65Å; F383-V449 HydrophobicContact CZ-CG1 3.21Å; F383-V453 HydrophobicContact CE2-CG2 4.48Å
384	K	90.5	Very high	86.8	Confident	107 Å²	107	54.1 Å²	54.1	47%	0.465	28%	0.282	S	S	.	.	H	α-helix	trans	-62.9	-48	175.7	-76.7	-175.9	179.9	173.9	0	111.3	L355 L380 T381 R387 A388	L355-K384 HydrophobicContact CD1-CG 4.2Å; L355-K384 HydrophobicContact CD2-CG 3.63Å; L380-K384 HydrophobicContact CD2-CD 3.73Å; L380-K384 HydrophobicContact CD2-CG 4.27Å; L380-K384 WeakPolarHBondContact O-CG 3.41Å; L380-K384 PolarHBondContact O-N 2.69Å; T381-K384 PolarHBondContact O-N 3.18Å; T381-K384 VanDerWaalsContact O-N 3.14Å; K384-R387 PolarHBondContact O-N 3.1Å; K384-A388 PolarHBondContact O-N 3.39Å
385	E	91.5	Very high	87.2	Confident	130 Å²	130	54.1 Å²	54.1	61%	0.607	28%	0.282	S	S	*	.	H	α-helix	trans	-62	-44	177.7	-71.4	178.5	175.2	0	0	111.3	T381 A388 D389	T381-E385 HydrophobicContact CG2-CG 4.5Å; T381-E385 WeakPolarHBondContact O-CG 3.36Å; T381-E385 PolarHBondContact O-N 2.82Å; E385-A388 WeakPolarHBondContact O-CB 3.34Å; E385-A388 PolarHBondContact O-N 3.22Å; E385-D389 PolarHBondContact O-N 2.78Å
386	K	87.1	Confident	88.1	Confident	23 Å²	23	55.5 Å²	55.5	10%	0.1	29%	0.288	C	S	.	.	H	α-helix	trans	-64.3	-44.4	177.5	-173.2	68.3	175.4	178.8	0	112.3	A382 F383 A388 D389 V390 N441 F445	A382-K386 WeakPolarHBondContact O-CB 3.31Å; A382-K386 PolarHBondContact O-N 2.87Å; F383-K386 PolarHBondContact O-N 3.44Å; K386-A388 PolarHBondContact O-N 3.05Å; K386-D389 IonicContact NZ-OD2 3.92Å; K386-D389 PolarHBondContact NZ-OD2 2.92Å; K386-D389 PolarHBondContact O-N 3.16Å; K386-D389 VanDerWaalsContact O-N 3.17Å; K386-V390 HydrophobicContact CG-CG2 4.31Å; K386-V390 WeakPolarHBondContact O-CG2 3.46Å; K386-V390 PolarHBondContact O-N 2.86Å; K386-N441 PolarHBondContact NZ-O 3.35Å; K386-N441 VanDerWaalsContact NZ-O 3.08Å; K386-F445 HydrophobicContact CB-CD2 3.89Å; K386-F445 HydrophobicContact CB-CE1 4.45Å; K386-F445 HydrophobicContact CB-CE2 3.38Å; K386-F445 HydrophobicContact CB-CZ 3.72Å; K386-F445 HydrophobicContact CD-CB 4.11Å; K386-F445 HydrophobicContact CD-CD1 4.26Å; K386-F445 HydrophobicContact CD-CD2 3.56Å; K386-F445 HydrophobicContact CD-CE2 3.98Å; K386-F445 HydrophobicContact CD-CG 3.7Å; K386-F445 VanDerWaalsContact CE-CB 3.46Å; K386-F445 VanDerWaalsContact CE-CG 3.45Å; K386-F445 HydrophobicContact CG-CD1 3.84Å; K386-F445 HydrophobicContact CG-CD2 3.46Å; K386-F445 VanDerWaalsContact CG-CD2 3.46Å; K386-F445 HydrophobicContact CG-CE1 3.76Å; K386-F445 HydrophobicContact CG-CE2 3.34Å; K386-F445 HydrophobicContact CG-CG 3.69Å; K386-F445 HydrophobicContact CG-CZ 3.52Å
387	R	88.1	Confident	89	Confident	72 Å²	72	53.5 Å²	53.5	27%	0.272	28%	0.279	S	S	.	.	H	α-helix	trans	-56.9	-42.8	176	-178	178.6	161.9	-175.2	-3.6	110.6	C351 T352 F383 K384 V390 M391	C351-R387 HydrophobicContact CB-CB 3.93Å; C351-R387 HydrophobicContact CB-CG 4.39Å; T352-R387 PolarHBondContact OG1-NH1 2.71Å; F383-R387 WeakPolarHBondContact O-CB 3.21Å; F383-R387 PolarHBondContact O-N 3.4Å; K384-R387 PolarHBondContact O-N 3.1Å; R387-V390 PolarHBondContact O-N 2.82Å; R387-M391 VanDerWaalsContact O-CG 3.28Å; R387-M391 WeakPolarHBondContact O-CG 3.4Å; R387-M391 PolarHBondContact O-N 3.43Å
388	A	94.3	Very high	89.3	Confident	61 Å²	61	55.5 Å²	55.5	50%	0.504	29%	0.285	S	S	.	.	H	α-helix	trans	-62.8	-44.1	176.2	0	0	0	0	0	112.5	K384 E385 K386 M391 D392	K384-A388 PolarHBondContact O-N 3.39Å; E385-A388 WeakPolarHBondContact O-CB 3.34Å; E385-A388 PolarHBondContact O-N 3.22Å; K386-A388 PolarHBondContact O-N 3.05Å; A388-M391 PolarHBondContact O-N 3.31Å; A388-D392 PolarHBondContact O-N 2.94Å
389	D	92.9	Very high	89.8	Confident	43 Å²	43	55.1 Å²	55.1	23%	0.23	28%	0.281	C	S	.	.	H	α-helix	trans	-58.3	-48.5	173.4	175.6	55.7	0	0	0	111	E385 K386 M391 D392 R393	E385-D389 PolarHBondContact O-N 2.78Å; K386-D389 IonicContact NZ-OD2 3.92Å; K386-D389 PolarHBondContact NZ-OD2 2.92Å; K386-D389 PolarHBondContact O-N 3.16Å; K386-D389 VanDerWaalsContact O-N 3.17Å; D389-M391 PolarHBondContact O-N 3.08Å; D389-D392 PolarHBondContact O-N 3.24Å; D389-R393 VanDerWaalsContact O-CG 3.32Å; D389-R393 WeakPolarHBondContact O-CG 3.32Å; D389-R393 PolarHBondContact O-N 2.95Å; D389-R393 IonicContact OD1-CZ 2.9Å; D389-R393 IonicContact OD1-NE 3.2Å; D389-R393 PolarHBondContact OD1-NE 2.92Å; D389-R393 IonicContact OD1-NH2 3Å; D389-R393 PolarHBondContact OD1-NH2 3.4Å
390	V	89.6	Confident	90.6	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-57.5	-46.2	178.5	169.2	0	0	0	0	112	L344 A347 A348 K386 R387 D392 R393 M394 L442	L344-V390 HydrophobicContact CB-CG1 4.18Å; L344-V390 HydrophobicContact CD2-CB 4.36Å; L344-V390 HydrophobicContact CD2-CG1 3.86Å; L344-V390 HydrophobicContact CD2-CG2 4.34Å; L344-V390 WeakPolarHBondContact O-CG1 3.41Å; A347-V390 HydrophobicContact CB-CG1 4.43Å; A347-V390 HydrophobicContact CB-CG2 4.24Å; A348-V390 HydrophobicContact CB-CG1 3.93Å; K386-V390 HydrophobicContact CG-CG2 4.31Å; K386-V390 WeakPolarHBondContact O-CG2 3.46Å; K386-V390 PolarHBondContact O-N 2.86Å; R387-V390 PolarHBondContact O-N 2.82Å; V390-D392 PolarHBondContact O-N 2.87Å; V390-R393 PolarHBondContact O-N 2.88Å; V390-M394 HydrophobicContact CG1-CE 4.09Å; V390-M394 PolarHBondContact O-N 3.47Å; V390-L442 HydrophobicContact CG2-CD2 4.05Å
391	M	93.4	Very high	91.2	Very high	65 Å²	65	56.6 Å²	56.6	32%	0.32	29%	0.286	S	S	.	.	H	α-helix	trans	-65.4	-36.9	178	-66.8	-61.2	-66.1	0	0	112.5	A153 A348 R387 A388 D389 M394 S395	A153-M391 HydrophobicContact CB-CE 4.49Å; A348-M391 HydrophobicContact CB-SD 4.29Å; R387-M391 VanDerWaalsContact O-CG 3.28Å; R387-M391 WeakPolarHBondContact O-CG 3.4Å; R387-M391 PolarHBondContact O-N 3.43Å; A388-M391 PolarHBondContact O-N 3.31Å; D389-M391 PolarHBondContact O-N 3.08Å; M391-M394 PolarHBondContact O-N 3.39Å; M391-M394 HydrophobicContact SD-SD 4.07Å; M391-S395 PolarHBondContact O-N 3.48Å; M391-S395 VanDerWaalsContact O-N 3.12Å; M391-S395 PolarHBondContact O-OG 3.34Å
392	D	95	Very high	91.5	Very high	60 Å²	60	58.3 Å²	58.3	32%	0.321	29%	0.29	S	S	.	.	H	α-helix	trans	-65.7	-39.2	173.3	176.4	64.2	0	0	0	111.7	A388 D389 V390 S395 K396	A388-D392 PolarHBondContact O-N 2.94Å; D389-D392 PolarHBondContact O-N 3.24Å; V390-D392 PolarHBondContact O-N 2.87Å; D392-S395 WeakPolarHBondContact O-CB 3.38Å; D392-S395 PolarHBondContact O-N 3.46Å; D392-K396 WeakPolarHBondContact O-CG 3.45Å; D392-K396 PolarHBondContact O-N 3.5Å; D392-K396 WeakPolarHBondContact OD2-CE 3.46Å; D392-K396 IonicContact OD2-NZ 3.79Å; D392-K396 PolarHBondContact OD2-NZ 3.36Å
393	R	93.1	Very high	92.1	Very high	36 Å²	36	60.2 Å²	60.2	14%	0.136	29%	0.291	C	S	.	.	H	α-helix	trans	-62	-45	174.7	-62.3	-61.3	161.9	-156.6	-9.5	112	L344 D389 V390 S395 K396 I397 E434	L344-R393 HydrophobicContact CD1-CB 3.96Å; L344-R393 HydrophobicContact CD2-CB 3.99Å; D389-R393 VanDerWaalsContact O-CG 3.32Å; D389-R393 WeakPolarHBondContact O-CG 3.32Å; D389-R393 PolarHBondContact O-N 2.95Å; D389-R393 IonicContact OD1-CZ 2.9Å; D389-R393 IonicContact OD1-NE 3.2Å; D389-R393 PolarHBondContact OD1-NE 2.92Å; D389-R393 IonicContact OD1-NH2 3Å; D389-R393 PolarHBondContact OD1-NH2 3.4Å; V390-R393 PolarHBondContact O-N 2.88Å; R393-S395 VanDerWaalsContact C-N 3.27Å; R393-S395 PolarHBondContact O-N 3.37Å; R393-K396 WeakPolarHBondContact O-CB 3.42Å; R393-K396 PolarHBondContact O-N 3.09Å; R393-K396 VanDerWaalsContact O-N 3.13Å; R393-I397 WeakPolarHBondContact O-CG1 3.42Å; R393-I397 PolarHBondContact O-N 2.9Å; R393-I397 VanDerWaalsContact O-N 3.14Å; R393-E434 IonicContact CZ-OE1 3.63Å; R393-E434 IonicContact NH1-OE1 3.72Å; R393-E434 PolarHBondContact NH1-OE1 3.48Å
394	M	92.7	Very high	92.6	Very high	35 Å²	35	60.8 Å²	60.8	17%	0.172	29%	0.293	C	S	.	.	H	α-helix	trans	-56.6	-44.2	174.3	-68.3	-179.2	-179.7	0	0	111.6	L344 A348 V390 M391 K396 I397 K398	L344-M394 HydrophobicContact CB-CE 3.63Å; L344-M394 HydrophobicContact CB-CG 3.94Å; L344-M394 HydrophobicContact CD1-CG 4.06Å; L344-M394 WeakPolarHBondContact O-CE 3.34Å; A348-M394 HydrophobicContact CB-CE 4.03Å; V390-M394 HydrophobicContact CG1-CE 4.09Å; V390-M394 PolarHBondContact O-N 3.47Å; M391-M394 PolarHBondContact O-N 3.39Å; M391-M394 HydrophobicContact SD-SD 4.07Å; M394-K396 VanDerWaalsContact C-N 3.32Å; M394-K396 PolarHBondContact O-N 3.2Å; M394-I397 PolarHBondContact O-N 3.28Å; M394-K398 PolarHBondContact O-N 2.85Å
395	S	93	Very high	92.8	Very high	59 Å²	59	58.7 Å²	58.7	41%	0.413	30%	0.295	S	S	.	.	H	α-helix	trans	-62.8	-37.5	177.6	-61.2	0	0	0	0	112.3	M391 D392 R393 I397 K398 K399	M391-S395 PolarHBondContact O-N 3.48Å; M391-S395 VanDerWaalsContact O-N 3.12Å; M391-S395 PolarHBondContact O-OG 3.34Å; D392-S395 WeakPolarHBondContact O-CB 3.38Å; D392-S395 PolarHBondContact O-N 3.46Å; R393-S395 VanDerWaalsContact C-N 3.27Å; R393-S395 PolarHBondContact O-N 3.37Å; S395-I397 VanDerWaalsContact C-N 3.35Å; S395-I397 PolarHBondContact O-N 3.2Å; S395-K398 PolarHBondContact O-N 3.25Å; S395-K399 WeakPolarHBondContact O-CG 3.5Å; S395-K399 PolarHBondContact O-N 3Å
396	K	93.4	Very high	92.9	Very high	75 Å²	75	58.8 Å²	58.8	33%	0.326	29%	0.294	S	S	.	.	H	α-helix	trans	-65.1	-34.3	175.9	-77.3	168.7	172.6	160.8	0	113	D392 R393 M394 K398 K399 F400	D392-K396 WeakPolarHBondContact O-CG 3.45Å; D392-K396 PolarHBondContact O-N 3.5Å; D392-K396 WeakPolarHBondContact OD2-CE 3.46Å; D392-K396 IonicContact OD2-NZ 3.79Å; D392-K396 PolarHBondContact OD2-NZ 3.36Å; R393-K396 WeakPolarHBondContact O-CB 3.42Å; R393-K396 PolarHBondContact O-N 3.09Å; R393-K396 VanDerWaalsContact O-N 3.13Å; M394-K396 VanDerWaalsContact C-N 3.32Å; M394-K396 PolarHBondContact O-N 3.2Å; K396-K398 VanDerWaalsContact C-N 3.34Å; K396-K398 PolarHBondContact O-N 2.88Å; K396-K399 PolarHBondContact O-N 2.9Å; K396-F400 PolarHBondContact O-N 3.33Å
397	I	92	Very high	93.2	Very high	4 Å²	4	58.9 Å²	58.9	2%	0.021	30%	0.295	C	S	.	.	H	α-helix	trans	-63.2	-41.7	174.6	-59.2	170.6	0	0	0	110.6	Q337 L340 R341 L344 R393 M394 S395 F400 H401	Q337-I397 HydrophobicContact CB-CG2 4.33Å; Q337-I397 HydrophobicContact CG-CG2 4.19Å; L340-I397 HydrophobicContact CD2-CD1 3.9Å; L340-I397 HydrophobicContact CD2-CG1 4.49Å; L340-I397 HydrophobicContact CG-CD1 4.07Å; R341-I397 HydrophobicContact CG-CD1 3.93Å; R341-I397 VanDerWaalsContact CZ-CG2 3.41Å; R341-I397 VanDerWaalsContact NH2-CG2 3.26Å; L344-I397 HydrophobicContact CD1-CD1 3.77Å; R393-I397 WeakPolarHBondContact O-CG1 3.42Å; R393-I397 PolarHBondContact O-N 2.9Å; R393-I397 VanDerWaalsContact O-N 3.14Å; M394-I397 PolarHBondContact O-N 3.28Å; S395-I397 VanDerWaalsContact C-N 3.35Å; S395-I397 PolarHBondContact O-N 3.2Å; I397-F400 PolarHBondContact O-N 3.39Å; I397-H401 PolarHBondContact O-CD2 3.21Å; I397-H401 VanDerWaalsContact O-CD2 3.24Å
398	K	91.1	Very high	93.4	Very high	105 Å²	105	55.9 Å²	55.9	46%	0.457	29%	0.286	S	S	.	.	H	α-helix	trans	-62.4	-46.1	174	-176	175.9	179	175.1	0	111.3	E150 M394 S395 K396 F400 H401 Q402	E150-K398 IonicContact OE1-NZ 3.6Å; E150-K398 PolarHBondContact OE1-NZ 3.23Å; M394-K398 PolarHBondContact O-N 2.85Å; S395-K398 PolarHBondContact O-N 3.25Å; K396-K398 VanDerWaalsContact C-N 3.34Å; K396-K398 PolarHBondContact O-N 2.88Å; K398-F400 VanDerWaalsContact C-N 3.32Å; K398-F400 PolarHBondContact O-N 3.29Å; K398-H401 PolarHBondContact O-N 2.96Å; K398-Q402 PolarHBondContact O-N 2.91Å
399	K	94.3	Very high	93.3	Very high	121 Å²	121	57.6 Å²	57.6	53%	0.526	28%	0.284	S	S	.	.	H	α-helix	trans	-61.1	-37.4	178.5	-71.6	175	-178.7	173	0	112.7	S395 K396 H401 Q402 E403	S395-K399 WeakPolarHBondContact O-CG 3.5Å; S395-K399 PolarHBondContact O-N 3Å; K396-K399 PolarHBondContact O-N 2.9Å; K399-H401 PolarHBondContact O-N 2.89Å; K399-Q402 WeakPolarHBondContact O-CB 3.44Å; K399-Q402 PolarHBondContact O-N 2.86Å; K399-E403 WeakPolarHBondContact O-CB 3.28Å; K399-E403 PolarHBondContact O-N 3.43Å
400	F	95.1	Very high	93.3	Very high	5 Å²	5	57.7 Å²	57.7	2%	0.022	28%	0.284	C	S	.	.	H	α-helix	trans	-56.7	-47.2	175.8	164.8	-97	0	0	0	112.1	L333 K396 I397 K398 Q402 E403 R404 L427 D428 Q431	L333-F400 HydrophobicContact CD2-CE1 3.69Å; L333-F400 HydrophobicContact CD2-CE2 3.96Å; L333-F400 HydrophobicContact CD2-CZ 3.23Å; L333-F400 HydrophobicContact CG-CZ 4.48Å; K396-F400 PolarHBondContact O-N 3.33Å; I397-F400 PolarHBondContact O-N 3.39Å; K398-F400 VanDerWaalsContact C-N 3.32Å; K398-F400 PolarHBondContact O-N 3.29Å; F400-Q402 VanDerWaalsContact C-N 3.29Å; F400-Q402 PolarHBondContact O-N 3.28Å; F400-E403 PolarHBondContact O-N 3.25Å; F400-R404 HydrophobicContact CZ-CB 4.49Å; F400-R404 VanDerWaalsContact O-CB 3.28Å; F400-R404 WeakPolarHBondContact O-CB 3.43Å; F400-R404 PolarHBondContact O-N 2.92Å; F400-L427 HydrophobicContact CD2-CD1 3.99Å; F400-L427 HydrophobicContact CD2-CG 4.12Å; F400-L427 HydrophobicContact CE2-CD1 4.15Å; F400-L427 HydrophobicContact CE2-CD2 4.31Å; F400-L427 HydrophobicContact CE2-CG 3.8Å; F400-D428 WeakPolarHBondContact CZ-OD1 3.45Å; F400-Q431 HydrophobicContact CB-CG 4.44Å; F400-Q431 HydrophobicContact CD1-CG 4.08Å; F400-Q431 HydrophobicContact CD2-CB 3.49Å; F400-Q431 VanDerWaalsContact CD2-CB 3.49Å; F400-Q431 HydrophobicContact CD2-CG 3.42Å; F400-Q431 VanDerWaalsContact CD2-CG 3.42Å; F400-Q431 HydrophobicContact CE1-CG 4.2Å; F400-Q431 HydrophobicContact CE2-CB 3.34Å; F400-Q431 HydrophobicContact CE2-CG 3.55Å; F400-Q431 HydrophobicContact CG-CB 4.29Å; F400-Q431 HydrophobicContact CG-CG 3.7Å; F400-Q431 HydrophobicContact CZ-CB 4.07Å; F400-Q431 HydrophobicContact CZ-CG 3.96Å
401	H	93	Very high	93.4	Very high	59 Å²	59	58.7 Å²	58.7	27%	0.273	29%	0.29	S	S	.	.	H	α-helix	trans	-64	-36.6	178.9	-66.6	-62.3	0	0	0	112.3	Q337 R341 I397 K398 K399 A405	Q337-H401 PolarHBondContact OE1-CE1 3.49Å; Q337-H401 PolarHBondContact OE1-NE2 3.3Å; Q337-H401 VanDerWaalsContact OE1-NE2 3.15Å; R341-H401 PolarHBondContact NH2-CD2 3.26Å; R341-H401 VanDerWaalsContact NH2-CD2 3.34Å; R341-H401 PolarHBondContact NH2-NE2 3.49Å; I397-H401 PolarHBondContact O-CD2 3.21Å; I397-H401 VanDerWaalsContact O-CD2 3.24Å; K398-H401 PolarHBondContact O-N 2.96Å; K399-H401 PolarHBondContact O-N 2.89Å; H401-A405 VanDerWaalsContact O-CB 3.27Å; H401-A405 WeakPolarHBondContact O-CB 3.42Å; H401-A405 PolarHBondContact O-N 3.49Å
402	Q	94.6	Very high	93.2	Very high	101 Å²	101	59.3 Å²	59.3	47%	0.472	29%	0.294	S	S	.	.	H	α-helix	trans	-66.9	-42.8	175.6	-65	175.4	-19.3	0	0	112.1	K398 K399 F400 K406	K398-Q402 PolarHBondContact O-N 2.91Å; K399-Q402 WeakPolarHBondContact O-CB 3.44Å; K399-Q402 PolarHBondContact O-N 2.86Å; F400-Q402 VanDerWaalsContact C-N 3.29Å; F400-Q402 PolarHBondContact O-N 3.28Å; Q402-K406 WeakPolarHBondContact O-CG 3.23Å; Q402-K406 PolarHBondContact O-N 2.86Å; Q402-K406 VanDerWaalsContact O-N 3.15Å
403	E	95.6	Very high	93	Very high	84 Å²	84	60.5 Å²	60.5	39%	0.393	30%	0.296	S	S	.	.	H	α-helix	trans	-64.3	-45.2	176.8	-169.4	-178.5	177	0	0	110.9	K399 F400 A405 K406 L407 L427 R430	K399-E403 WeakPolarHBondContact O-CB 3.28Å; K399-E403 PolarHBondContact O-N 3.43Å; F400-E403 PolarHBondContact O-N 3.25Å; E403-A405 PolarHBondContact O-N 2.95Å; E403-K406 PolarHBondContact O-N 3.39Å; E403-L407 PolarHBondContact O-N 2.69Å; E403-L407 VanDerWaalsContact O-N 3.08Å; E403-L427 HydrophobicContact CB-CD2 4.27Å; E403-L427 HydrophobicContact CG-CD1 4.19Å; E403-L427 HydrophobicContact CG-CD2 4.02Å; E403-L427 WeakPolarHBondContact OE2-CD1 3.34Å; E403-R430 VanDerWaalsContact CD-NH2 3.3Å; E403-R430 IonicContact OE1-NH2 3.32Å; E403-R430 PolarHBondContact OE1-NH2 2.99Å; E403-R430 IonicContact OE2-NH2 2.74Å; E403-R430 PolarHBondContact OE2-NH2 2.59Å
404	R	95	Very high	93	Very high	31 Å²	31	63.5 Å²	63.5	12%	0.117	31%	0.308	C	S	.	.	H	α-helix	trans	-62.3	-43	177.1	-169.6	-165	167.3	118.1	2	112.1	H328 P329 N330 F400 K406 L407 G408 L424 L427 D428	H328-R404 PolarHBondContact O-NH2 3Å; P329-R404 VanDerWaalsContact C-NH2 3.32Å; N330-R404 VanDerWaalsContact N-CZ 3.26Å; F400-R404 HydrophobicContact CZ-CB 4.49Å; F400-R404 VanDerWaalsContact O-CB 3.28Å; F400-R404 WeakPolarHBondContact O-CB 3.43Å; F400-R404 PolarHBondContact O-N 2.92Å; R404-K406 VanDerWaalsContact C-N 3.34Å; R404-K406 PolarHBondContact O-N 3.08Å; R404-L407 PolarHBondContact O-N 3.31Å; R404-G408 PolarHBondContact O-N 2.9Å; R404-L424 HydrophobicContact CG-CD1 3.5Å; R404-L424 VanDerWaalsContact CG-CD1 3.5Å; R404-L427 HydrophobicContact CB-CD2 3.8Å; R404-L427 HydrophobicContact CG-CD2 4.32Å; R404-D428 IonicContact CZ-OD1 3.78Å; R404-D428 IonicContact CZ-OD2 3.48Å; R404-D428 IonicContact NH1-OD1 3.8Å; R404-D428 PolarHBondContact NH1-OD1 3.22Å; R404-D428 IonicContact NH1-OD2 2.72Å; R404-D428 PolarHBondContact NH1-OD2 2.74Å; R404-D428 IonicContact NH2-OD2 4Å
405	A	94.2	Very high	92.8	Very high	63 Å²	63	65.2 Å²	65.2	52%	0.521	32%	0.321	S	S	.	.	H	α-helix	trans	-62.4	-41	177.9	0	0	0	0	0	111.9	H401 E403 G408 E409	H401-A405 VanDerWaalsContact O-CB 3.27Å; H401-A405 WeakPolarHBondContact O-CB 3.42Å; H401-A405 PolarHBondContact O-N 3.49Å; E403-A405 PolarHBondContact O-N 2.95Å; A405-G408 PolarHBondContact O-N 3.4Å; A405-E409 PolarHBondContact O-N 3.4Å
406	K	94.3	Very high	92.7	Very high	133 Å²	133	69.4 Å²	69.4	58%	0.578	33%	0.334	S	S	*	.	H	α-helix	trans	-62.5	-43.1	174.9	-71.8	173.1	-178.2	-178.5	0	112.2	Q402 E403 R404 G408 E409 D410	Q402-K406 WeakPolarHBondContact O-CG 3.23Å; Q402-K406 PolarHBondContact O-N 2.86Å; Q402-K406 VanDerWaalsContact O-N 3.15Å; E403-K406 PolarHBondContact O-N 3.39Å; R404-K406 VanDerWaalsContact C-N 3.34Å; R404-K406 PolarHBondContact O-N 3.08Å; K406-G408 VanDerWaalsContact C-N 3.32Å; K406-G408 PolarHBondContact O-N 3.29Å; K406-E409 WeakPolarHBondContact O-CB 3.49Å; K406-E409 PolarHBondContact O-N 3.25Å; K406-D410 PolarHBondContact O-N 3.25Å
407	L	93.7	Very high	92.7	Very high	25 Å²	25	68.4 Å²	68.4	13%	0.131	33%	0.332	C	S	.	.	H	α-helix	trans	-63.3	-39.5	173.6	-73.4	176.7	0	0	0	111.8	E403 R404 E409 D410 I411 Y420 A423 L424 L427	E403-L407 PolarHBondContact O-N 2.69Å; E403-L407 VanDerWaalsContact O-N 3.08Å; R404-L407 PolarHBondContact O-N 3.31Å; L407-E409 VanDerWaalsContact C-N 3.34Å; L407-E409 PolarHBondContact O-N 3.43Å; L407-D410 PolarHBondContact O-N 2.9Å; L407-I411 VanDerWaalsContact O-CG1 3.23Å; L407-I411 WeakPolarHBondContact O-CG1 3.38Å; L407-I411 PolarHBondContact O-N 3.02Å; L407-Y420 HydrophobicContact CD2-CD1 4.23Å; L407-A423 HydrophobicContact CD1-CB 4.26Å; L407-A423 HydrophobicContact CD2-CB 4.08Å; L407-L424 HydrophobicContact CB-CD1 4.17Å; L407-L424 HydrophobicContact CD1-CD1 4.49Å; L407-L427 HydrophobicContact CD1-CB 4.14Å; L407-L427 HydrophobicContact CD1-CD2 3.61Å; L407-L427 HydrophobicContact CD1-CG 4.47Å
408	G	91.9	Very high	92.8	Very high	8 Å²	8	73 Å²	73	8%	0.082	35%	0.353	C	S	.	.	H	α-helix	trans	-59.5	-43.6	173.2	0	0	0	0	0	112.5	R404 A405 K406 I411 I412	R404-G408 PolarHBondContact O-N 2.9Å; A405-G408 PolarHBondContact O-N 3.4Å; K406-G408 VanDerWaalsContact C-N 3.32Å; K406-G408 PolarHBondContact O-N 3.29Å; G408-I411 PolarHBondContact O-N 3.01Å; G408-I412 VanDerWaalsContact O-CG1 3.31Å; G408-I412 WeakPolarHBondContact O-CG1 3.45Å; G408-I412 PolarHBondContact O-N 2.85Å; G408-I412 VanDerWaalsContact O-N 3.13Å
409	E	91.9	Very high	93.1	Very high	98 Å²	98	73.5 Å²	73.5	46%	0.458	36%	0.361	S	S	.	.	H	α-helix	trans	-61.3	-43.8	174.3	-174.8	-178.2	175.8	0	0	111.9	A405 K406 L407 I412 K413	A405-E409 PolarHBondContact O-N 3.4Å; K406-E409 WeakPolarHBondContact O-CB 3.49Å; K406-E409 PolarHBondContact O-N 3.25Å; L407-E409 VanDerWaalsContact C-N 3.34Å; L407-E409 PolarHBondContact O-N 3.43Å; E409-I412 PolarHBondContact O-N 3.11Å; E409-K413 HydrophobicContact CG-CD 4.18Å; E409-K413 WeakPolarHBondContact O-CG 3.33Å; E409-K413 PolarHBondContact O-N 3.2Å; E409-K413 VanDerWaalsContact OE1-CE 3.23Å; E409-K413 WeakPolarHBondContact OE1-CE 3.33Å; E409-K413 IonicContact OE1-NZ 3.32Å; E409-K413 PolarHBondContact OE1-NZ 3.16Å
410	D	92.1	Very high	93.1	Very high	44 Å²	44	70.8 Å²	70.8	24%	0.235	35%	0.348	C	S	.	.	H	α-helix	trans	-66.7	-37.2	177.8	-73.9	-24	0	0	0	112.5	K406 L407 I412 K413 Y414 Y420	K406-D410 PolarHBondContact O-N 3.25Å; L407-D410 PolarHBondContact O-N 2.9Å; D410-I412 VanDerWaalsContact C-N 3.32Å; D410-I412 PolarHBondContact O-N 3.42Å; D410-K413 PolarHBondContact O-N 2.6Å; D410-Y414 WeakPolarHBondContact O-CB 3.38Å; D410-Y414 WeakPolarHBondContact O-CD2 3.48Å; D410-Y414 PolarHBondContact O-N 3.07Å; D410-Y420 HydrophobicContact CB-CD1 3.76Å; D410-Y420 HydrophobicContact CB-CD2 4.25Å; D410-Y420 HydrophobicContact CB-CE1 3.7Å; D410-Y420 HydrophobicContact CB-CE2 4.21Å; D410-Y420 HydrophobicContact CB-CG 4.05Å
411	I	91.3	Very high	93	Very high	22 Å²	22	74.8 Å²	74.8	11%	0.113	36%	0.363	C	S	.	.	H	α-helix	trans	-62.1	-41.5	174	-69.1	164.8	0	0	0	110.8	L407 G408 Y414 P415 R421 L424	L407-I411 VanDerWaalsContact O-CG1 3.23Å; L407-I411 WeakPolarHBondContact O-CG1 3.38Å; L407-I411 PolarHBondContact O-N 3.02Å; G408-I411 PolarHBondContact O-N 3.01Å; I411-Y414 CarbonylContact O-C 3.52Å; I411-P415 WeakPolarHBondContact O-CA 3.46Å; I411-R421 HydrophobicContact CD1-CG 4.35Å; I411-R421 HydrophobicContact CG1-CG 4.33Å; I411-R421 HydrophobicContact CG2-CG 4.32Å; I411-L424 HydrophobicContact CD1-CB 4.04Å; I411-L424 HydrophobicContact CD1-CD2 3.67Å; I411-L424 HydrophobicContact CD1-CG 4.43Å
412	I	90.3	Very high	93.1	Very high	78 Å²	78	76.7 Å²	76.7	40%	0.4	37%	0.374	S	S	.	.	H	α-helix	trans	-69.5	-39.9	179.2	-67.7	166.5	0	0	0	110.7	F321 V327 G408 E409 D410	F321-I412 HydrophobicContact CD1-CG2 3.62Å; F321-I412 HydrophobicContact CE1-CG2 3.46Å; F321-I412 VanDerWaalsContact CE1-CG2 3.46Å; F321-I412 HydrophobicContact CZ-CG2 4.43Å; V327-I412 HydrophobicContact CG2-CD1 4.13Å; V327-I412 HydrophobicContact CG2-CG1 4.39Å; G408-I412 VanDerWaalsContact O-CG1 3.31Å; G408-I412 WeakPolarHBondContact O-CG1 3.45Å; G408-I412 PolarHBondContact O-N 2.85Å; G408-I412 VanDerWaalsContact O-N 3.13Å; E409-I412 PolarHBondContact O-N 3.11Å; D410-I412 VanDerWaalsContact C-N 3.32Å; D410-I412 PolarHBondContact O-N 3.42Å
413	K	90	Very high	93.2	Very high	84 Å²	84	73.7 Å²	73.7	37%	0.365	37%	0.367	S	S	.	.	H	α-helix	trans	-70.9	-37	177	-74.8	174.2	-177.7	174.8	0	113.3	F321 E409 D410 P415	F321-K413 HydrophobicContact CZ-CG 3.86Å; E409-K413 HydrophobicContact CG-CD 4.18Å; E409-K413 WeakPolarHBondContact O-CG 3.33Å; E409-K413 PolarHBondContact O-N 3.2Å; E409-K413 VanDerWaalsContact OE1-CE 3.23Å; E409-K413 WeakPolarHBondContact OE1-CE 3.33Å; E409-K413 IonicContact OE1-NZ 3.32Å; E409-K413 PolarHBondContact OE1-NZ 3.16Å; D410-K413 PolarHBondContact O-N 2.6Å; K413-P415 VanDerWaalsContact C-CD 3.46Å; K413-P415 WeakPolarHBondContact O-CD 3.19Å
414	Y	92.6	Very high	93.1	Very high	100 Å²	100	70.7 Å²	70.7	39%	0.392	35%	0.354	S	S	.	.			trans	-129.3	63.3	-171.9	-50.3	-71.5	0	0	0	111.9	D410 I411 H416 I417 Y420	D410-Y414 WeakPolarHBondContact O-CB 3.38Å; D410-Y414 WeakPolarHBondContact O-CD2 3.48Å; D410-Y414 PolarHBondContact O-N 3.07Å; I411-Y414 CarbonylContact O-C 3.52Å; Y414-H416 PolarHBondContact O-N 2.85Å; Y414-I417 HydrophobicContact CG-CD1 4.34Å; Y414-I417 PolarHBondContact O-N 3.37Å; Y414-Y420 AromaticContact CD2-CE2 3.72Å; Y414-Y420 HydrophobicContact CD2-CE2 3.72Å; Y414-Y420 HydrophobicContact CG-CE2 4.08Å
415	P	89.9	Confident	93	Very high	70 Å²	70	74.1 Å²	74.1	46%	0.455	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-15.3	-174.7	26.3	-36.2	0	0	0	114.2	I411 K413 R421	I411-P415 WeakPolarHBondContact O-CA 3.46Å; K413-P415 VanDerWaalsContact C-CD 3.46Å; K413-P415 WeakPolarHBondContact O-CD 3.19Å; P415-R421 PolarHBondContact O-NH1 3.32Å; P415-R421 PolarHBondContact O-NH2 3.38Å
416	H	90.9	Very high	93.1	Very high	147 Å²	147	74.9 Å²	74.9	68%	0.681	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-11.3	177.5	58.1	-84.4	0	0	0	113.4	Y414	Y414-H416 PolarHBondContact O-N 2.85Å
417	I	93.5	Very high	93.1	Very high	55 Å²	55	68.8 Å²	68.8	28%	0.282	35%	0.35	S	S	.	.			trans	-98.2	102.6	177.4	-59.8	-179.6	0	0	0	108.3	Y414 D419 Y420	Y414-I417 HydrophobicContact CG-CD1 4.34Å; Y414-I417 PolarHBondContact O-N 3.37Å; I417-D419 VanDerWaalsContact C-N 3.26Å; I417-D419 HydrophobicContact CG2-CB 4.07Å; I417-D419 PolarHBondContact O-N 3.24Å; I417-Y420 HydrophobicContact CB-CD2 3.69Å; I417-Y420 HydrophobicContact CB-CE2 3.95Å; I417-Y420 HydrophobicContact CD1-CE2 3.88Å; I417-Y420 HydrophobicContact CG1-CE2 4.47Å; I417-Y420 HydrophobicContact CG2-CD2 3.61Å; I417-Y420 HydrophobicContact CG2-CE2 3.81Å; I417-Y420 HydrophobicContact CG2-CG 4.35Å; I417-Y420 PolarHBondContact O-N 3.15Å
418	E	93.5	Very high	93.2	Very high	99 Å²	99	68.4 Å²	68.4	46%	0.463	35%	0.348	S	S	.	.	H	α-helix	trans	-69.5	-25.4	-178	-167.8	55.8	-152.9	0	0	112.9	Y420 R421 L422	E418-Y420 PolarHBondContact O-N 3.43Å; E418-Y420 VanDerWaalsContact O-N 3.14Å; E418-R421 WeakPolarHBondContact O-CB 3.35Å; E418-R421 PolarHBondContact O-N 2.86Å; E418-R421 WeakPolarHBondContact OE1-CD 3.24Å; E418-R421 WeakPolarHBondContact OE2-CD 3Å; E418-R421 IonicContact OE2-CZ 2.68Å; E418-R421 IonicContact OE2-NH1 3.7Å; E418-R421 PolarHBondContact OE2-NH1 2.87Å; E418-L422 PolarHBondContact O-N 3.07Å; E418-L422 VanDerWaalsContact O-N 3.08Å
419	D	97.2	Very high	93.2	Very high	116 Å²	116	71 Å²	71	62%	0.62	37%	0.369	S	S	*	.	H	α-helix	trans	-57.7	-30	178.1	-67.9	-48	0	0	0	112.8	I417 L422 A423	I417-D419 VanDerWaalsContact C-N 3.26Å; I417-D419 HydrophobicContact CG2-CB 4.07Å; I417-D419 PolarHBondContact O-N 3.24Å; D419-L422 PolarHBondContact O-N 2.89Å; D419-A423 WeakPolarHBondContact O-CB 3.4Å; D419-A423 PolarHBondContact O-N 2.72Å
420	Y	95.4	Very high	93.3	Very high	64 Å²	64	72.1 Å²	72.1	25%	0.251	37%	0.369	S	S	.	.	H	α-helix	trans	-68.4	-35.9	175.2	-69.9	-57.9	0	0	0	112.6	L407 D410 Y414 I417 E418 A423 L424	L407-Y420 HydrophobicContact CD2-CD1 4.23Å; D410-Y420 HydrophobicContact CB-CD1 3.76Å; D410-Y420 HydrophobicContact CB-CD2 4.25Å; D410-Y420 HydrophobicContact CB-CE1 3.7Å; D410-Y420 HydrophobicContact CB-CE2 4.21Å; D410-Y420 HydrophobicContact CB-CG 4.05Å; Y414-Y420 AromaticContact CD2-CE2 3.72Å; Y414-Y420 HydrophobicContact CD2-CE2 3.72Å; Y414-Y420 HydrophobicContact CG-CE2 4.08Å; I417-Y420 HydrophobicContact CB-CD2 3.69Å; I417-Y420 HydrophobicContact CB-CE2 3.95Å; I417-Y420 HydrophobicContact CD1-CE2 3.88Å; I417-Y420 HydrophobicContact CG1-CE2 4.47Å; I417-Y420 HydrophobicContact CG2-CD2 3.61Å; I417-Y420 HydrophobicContact CG2-CE2 3.81Å; I417-Y420 HydrophobicContact CG2-CG 4.35Å; I417-Y420 PolarHBondContact O-N 3.15Å; E418-Y420 PolarHBondContact O-N 3.43Å; E418-Y420 VanDerWaalsContact O-N 3.14Å; Y420-A423 PolarHBondContact O-N 3.11Å; Y420-L424 PolarHBondContact O-N 3.34Å
421	R	92.4	Very high	93.4	Very high	89 Å²	89	70.5 Å²	70.5	34%	0.336	36%	0.359	S	S	.	.	H	α-helix	trans	-69	-42.7	174.3	-63.5	-170	179	91.5	7.5	111	I411 P415 E418 L424 N425	I411-R421 HydrophobicContact CD1-CG 4.35Å; I411-R421 HydrophobicContact CG1-CG 4.33Å; I411-R421 HydrophobicContact CG2-CG 4.32Å; P415-R421 PolarHBondContact O-NH1 3.32Å; P415-R421 PolarHBondContact O-NH2 3.38Å; E418-R421 WeakPolarHBondContact O-CB 3.35Å; E418-R421 PolarHBondContact O-N 2.86Å; E418-R421 WeakPolarHBondContact OE1-CD 3.24Å; E418-R421 WeakPolarHBondContact OE2-CD 3Å; E418-R421 IonicContact OE2-CZ 2.68Å; E418-R421 IonicContact OE2-NH1 3.7Å; E418-R421 PolarHBondContact OE2-NH1 2.87Å; R421-L424 PolarHBondContact O-N 2.89Å; R421-N425 PolarHBondContact O-N 2.85Å; R421-N425 VanDerWaalsContact O-N 3.12Å
422	L	94.9	Very high	93.3	Very high	99 Å²	99	71 Å²	71	52%	0.518	36%	0.36	S	S	.	.	H	α-helix	trans	-63.3	-40.8	174.4	-66.8	177	0	0	0	112	E418 D419 L424 N425 S426	E418-L422 PolarHBondContact O-N 3.07Å; E418-L422 VanDerWaalsContact O-N 3.08Å; D419-L422 PolarHBondContact O-N 2.89Å; L422-L424 VanDerWaalsContact C-N 3.35Å; L422-L424 PolarHBondContact O-N 2.89Å; L422-N425 PolarHBondContact O-N 3.37Å; L422-S426 WeakPolarHBondContact O-CB 3.42Å; L422-S426 PolarHBondContact O-N 3.27Å
423	A	95.8	Very high	93.3	Very high	39 Å²	39	70.1 Å²	70.1	32%	0.322	36%	0.364	S	S	.	.	H	α-helix	trans	-63	-40.2	176.2	0	0	0	0	0	111.8	L407 D419 Y420 S426 L427	L407-A423 HydrophobicContact CD1-CB 4.26Å; L407-A423 HydrophobicContact CD2-CB 4.08Å; D419-A423 WeakPolarHBondContact O-CB 3.4Å; D419-A423 PolarHBondContact O-N 2.72Å; Y420-A423 PolarHBondContact O-N 3.11Å; A423-S426 PolarHBondContact O-N 3.07Å; A423-L427 VanDerWaalsContact O-CB 3.24Å; A423-L427 WeakPolarHBondContact O-CB 3.07Å; A423-L427 PolarHBondContact O-N 3.12Å
424	L	94.5	Very high	93.4	Very high	20 Å²	20	68.3 Å²	68.3	11%	0.105	36%	0.357	C	S	.	.	H	α-helix	trans	-62.5	-45.3	175.3	-176.7	67.6	0	0	0	111.7	R404 L407 I411 Y420 R421 L422 L427 D428	R404-L424 HydrophobicContact CG-CD1 3.5Å; R404-L424 VanDerWaalsContact CG-CD1 3.5Å; L407-L424 HydrophobicContact CB-CD1 4.17Å; L407-L424 HydrophobicContact CD1-CD1 4.49Å; I411-L424 HydrophobicContact CD1-CB 4.04Å; I411-L424 HydrophobicContact CD1-CD2 3.67Å; I411-L424 HydrophobicContact CD1-CG 4.43Å; Y420-L424 PolarHBondContact O-N 3.34Å; R421-L424 PolarHBondContact O-N 2.89Å; L422-L424 VanDerWaalsContact C-N 3.35Å; L422-L424 PolarHBondContact O-N 2.89Å; L424-L427 WeakPolarHBondContact O-CB 3.15Å; L424-L427 PolarHBondContact O-N 3.27Å; L424-D428 PolarHBondContact O-N 3.16Å
425	N	93.7	Very high	93.2	Very high	104 Å²	104	63.5 Å²	63.5	56%	0.556	34%	0.338	S	S	*	.	H	α-helix	trans	-64	-41.6	176.7	-70.4	-21.1	0	0	0	112	R421 L422 D428 A429	R421-N425 PolarHBondContact O-N 2.85Å; R421-N425 VanDerWaalsContact O-N 3.12Å; L422-N425 PolarHBondContact O-N 3.37Å; N425-D428 PolarHBondContact O-N 3.03Å; N425-A429 WeakPolarHBondContact O-CB 3.28Å; N425-A429 PolarHBondContact O-N 2.96Å
426	S	94.6	Very high	92.9	Very high	79 Å²	79	61.9 Å²	61.9	55%	0.552	32%	0.324	S	S	*	.	H	α-helix	trans	-64.8	-40	176.1	-176	0	0	0	0	112	L422 A423 A429 R430	L422-S426 WeakPolarHBondContact O-CB 3.42Å; L422-S426 PolarHBondContact O-N 3.27Å; A423-S426 PolarHBondContact O-N 3.07Å; S426-A429 PolarHBondContact O-N 2.73Å; S426-R430 VanDerWaalsContact O-CB 3.28Å; S426-R430 WeakPolarHBondContact O-CB 3.38Å; S426-R430 PolarHBondContact O-N 2.92Å
427	L	95.4	Very high	92.8	Very high	5 Å²	5	59 Å²	59	3%	0.026	31%	0.308	C	S	.	.	H	α-helix	trans	-60.1	-47.4	174.6	174.1	63.2	0	0	0	111.4	F400 E403 R404 L407 A423 L424 R430 Q431	F400-L427 HydrophobicContact CD2-CD1 3.99Å; F400-L427 HydrophobicContact CD2-CG 4.12Å; F400-L427 HydrophobicContact CE2-CD1 4.15Å; F400-L427 HydrophobicContact CE2-CD2 4.31Å; F400-L427 HydrophobicContact CE2-CG 3.8Å; E403-L427 HydrophobicContact CB-CD2 4.27Å; E403-L427 HydrophobicContact CG-CD1 4.19Å; E403-L427 HydrophobicContact CG-CD2 4.02Å; E403-L427 WeakPolarHBondContact OE2-CD1 3.34Å; R404-L427 HydrophobicContact CB-CD2 3.8Å; R404-L427 HydrophobicContact CG-CD2 4.32Å; L407-L427 HydrophobicContact CD1-CB 4.14Å; L407-L427 HydrophobicContact CD1-CD2 3.61Å; L407-L427 HydrophobicContact CD1-CG 4.47Å; A423-L427 VanDerWaalsContact O-CB 3.24Å; A423-L427 WeakPolarHBondContact O-CB 3.07Å; A423-L427 PolarHBondContact O-N 3.12Å; L424-L427 WeakPolarHBondContact O-CB 3.15Å; L424-L427 PolarHBondContact O-N 3.27Å; L427-R430 PolarHBondContact O-N 3.37Å; L427-Q431 WeakPolarHBondContact O-CB 3.43Å; L427-Q431 PolarHBondContact O-N 3.25Å
428	D	94.2	Very high	92.6	Very high	17 Å²	17	56.7 Å²	56.7	9%	0.091	30%	0.296	C	S	.	.	H	α-helix	trans	-63.5	-44.4	177.9	-83.8	7.9	0	0	0	111.9	N330 F400 R404 L424 N425 Q431 Y432	N330-D428 VanDerWaalsContact CB-OD2 3.28Å; N330-D428 WeakPolarHBondContact CB-OD2 3.24Å; N330-D428 PolarHBondContact ND2-OD2 3.02Å; F400-D428 WeakPolarHBondContact CZ-OD1 3.45Å; R404-D428 IonicContact CZ-OD1 3.78Å; R404-D428 IonicContact CZ-OD2 3.48Å; R404-D428 IonicContact NH1-OD1 3.8Å; R404-D428 PolarHBondContact NH1-OD1 3.22Å; R404-D428 IonicContact NH1-OD2 2.72Å; R404-D428 PolarHBondContact NH1-OD2 2.74Å; R404-D428 IonicContact NH2-OD2 4Å; L424-D428 PolarHBondContact O-N 3.16Å; N425-D428 PolarHBondContact O-N 3.03Å; D428-Q431 PolarHBondContact O-N 3.26Å; D428-Y432 PolarHBondContact O-N 3.39Å
429	A	92.8	Very high	92	Very high	63 Å²	63	52.6 Å²	52.6	52%	0.521	28%	0.278	S	S	.	.	H	α-helix	trans	-62.8	-43.1	177	0	0	0	0	0	112.3	N425 S426 Q431 Y432 A433	N425-A429 WeakPolarHBondContact O-CB 3.28Å; N425-A429 PolarHBondContact O-N 2.96Å; S426-A429 PolarHBondContact O-N 2.73Å; A429-Q431 VanDerWaalsContact C-N 3.33Å; A429-Q431 PolarHBondContact O-N 3.42Å; A429-Y432 PolarHBondContact O-N 3.13Å; A429-A433 PolarHBondContact O-N 3.03Å; A429-A433 VanDerWaalsContact O-N 3.12Å
430	R	94.6	Very high	91.2	Very high	121 Å²	121	49.7 Å²	49.7	46%	0.457	27%	0.269	S	S	.	.	H	α-helix	trans	-60.1	-44	174.3	176.7	174.8	61.3	84.4	-17.3	111.2	E403 S426 L427 A433 E434	E403-R430 VanDerWaalsContact CD-NH2 3.3Å; E403-R430 IonicContact OE1-NH2 3.32Å; E403-R430 PolarHBondContact OE1-NH2 2.99Å; E403-R430 IonicContact OE2-NH2 2.74Å; E403-R430 PolarHBondContact OE2-NH2 2.59Å; S426-R430 VanDerWaalsContact O-CB 3.28Å; S426-R430 WeakPolarHBondContact O-CB 3.38Å; S426-R430 PolarHBondContact O-N 2.92Å; L427-R430 PolarHBondContact O-N 3.37Å; R430-A433 PolarHBondContact O-N 3.41Å; R430-E434 WeakPolarHBondContact O-CB 3.43Å; R430-E434 PolarHBondContact O-N 3.34Å
431	Q	94.2	Very high	90.6	Very high	9 Å²	9	48.9 Å²	48.9	4%	0.042	27%	0.269	C	S	.	.	H	α-helix	trans	-67.9	-37.9	-179.7	-176.3	60.1	38.3	0	0	112.1	L333 F400 L427 D428 A429 E434 C435	L333-Q431 HydrophobicContact CD1-CB 4.46Å; L333-Q431 HydrophobicContact CD1-CG 4.06Å; L333-Q431 HydrophobicContact CD2-CB 3.94Å; L333-Q431 HydrophobicContact CD2-CG 3.78Å; L333-Q431 HydrophobicContact CG-CG 4.28Å; F400-Q431 HydrophobicContact CB-CG 4.44Å; F400-Q431 HydrophobicContact CD1-CG 4.08Å; F400-Q431 HydrophobicContact CD2-CB 3.49Å; F400-Q431 VanDerWaalsContact CD2-CB 3.49Å; F400-Q431 HydrophobicContact CD2-CG 3.42Å; F400-Q431 VanDerWaalsContact CD2-CG 3.42Å; F400-Q431 HydrophobicContact CE1-CG 4.2Å; F400-Q431 HydrophobicContact CE2-CB 3.34Å; F400-Q431 HydrophobicContact CE2-CG 3.55Å; F400-Q431 HydrophobicContact CG-CB 4.29Å; F400-Q431 HydrophobicContact CG-CG 3.7Å; F400-Q431 HydrophobicContact CZ-CB 4.07Å; F400-Q431 HydrophobicContact CZ-CG 3.96Å; L427-Q431 WeakPolarHBondContact O-CB 3.43Å; L427-Q431 PolarHBondContact O-N 3.25Å; D428-Q431 PolarHBondContact O-N 3.26Å; A429-Q431 VanDerWaalsContact C-N 3.33Å; A429-Q431 PolarHBondContact O-N 3.42Å; Q431-E434 PolarHBondContact O-N 3.12Å; Q431-C435 PolarHBondContact NE2-SG 3.38Å; Q431-C435 PolarHBondContact O-N 3.43Å; Q431-C435 PolarHBondContact O-SG 2.94Å
432	Y	89.1	Confident	89.9	Confident	34 Å²	34	44.7 Å²	44.7	13%	0.133	25%	0.254	C	S	.	.	H	α-helix	trans	-58.3	-50.7	173.7	-178	-92.5	0	0	0	111.2	F268 I336 D428 A429 E434 C435 H436	F268-Y432 HydrophobicContact CB-CE1 4.38Å; F268-Y432 HydrophobicContact CD2-CE1 4.42Å; F268-Y432 HydrophobicContact CD2-CE2 4.26Å; F268-Y432 AromaticContact CD2-CZ 3.9Å; F268-Y432 HydrophobicContact CE2-CE2 4.39Å; F268-Y432 HydrophobicContact CG-CE1 4.41Å; I336-Y432 HydrophobicContact CD1-CD2 3.61Å; I336-Y432 HydrophobicContact CD1-CE2 3.33Å; D428-Y432 PolarHBondContact O-N 3.39Å; A429-Y432 PolarHBondContact O-N 3.13Å; Y432-E434 VanDerWaalsContact C-N 3.31Å; Y432-E434 PolarHBondContact O-N 3.48Å; Y432-C435 WeakPolarHBondContact O-CB 3.48Å; Y432-C435 PolarHBondContact O-N 3Å; Y432-H436 AromaticContact CD1-CD2 3.61Å; Y432-H436 AromaticContact CE1-CD2 3.28Å; Y432-H436 WeakPolarHBondContact CE1-CD2 3.43Å; Y432-H436 AromaticContact CE1-NE2 3.26Å; Y432-H436 VanDerWaalsContact CE1-NE2 3.26Å; Y432-H436 WeakPolarHBondContact CE1-NE2 3.4Å; Y432-H436 AromaticContact CE2-NE2 3.59Å; Y432-H436 AromaticContact CZ-CD2 3.54Å; Y432-H436 AromaticContact CZ-NE2 3.02Å; Y432-H436 PolarHBondContact O-CD2 2.9Å; Y432-H436 VanDerWaalsContact O-CD2 3.26Å; Y432-H436 PolarHBondContact O-N 3.36Å; Y432-H436 VanDerWaalsContact O-N 3.09Å; Y432-H436 PolarHBondContact OH-NE2 2.82Å
433	A	89.5	Confident	89	Confident	58 Å²	58	40.7 Å²	40.7	48%	0.479	24%	0.235	S	C	.	.	H	α-helix	trans	-60.1	-40.1	177.3	0	0	0	0	0	112.4	A429 R430 H436 R437	A429-A433 PolarHBondContact O-N 3.03Å; A429-A433 VanDerWaalsContact O-N 3.12Å; R430-A433 PolarHBondContact O-N 3.41Å; A433-H436 PolarHBondContact O-N 3.31Å; A433-R437 WeakPolarHBondContact O-CB 3.17Å; A433-R437 PolarHBondContact O-N 3.28Å
434	E	91.8	Very high	88.1	Confident	46 Å²	46	45 Å²	45	22%	0.215	25%	0.248	C	C	.	.	H	α-helix	trans	-66.2	-40.1	177.1	179.6	63.1	-176.9	0	0	112.3	R393 R430 Q431 Y432 H436 R437 C438	R393-E434 IonicContact CZ-OE1 3.63Å; R393-E434 IonicContact NH1-OE1 3.72Å; R393-E434 PolarHBondContact NH1-OE1 3.48Å; R430-E434 WeakPolarHBondContact O-CB 3.43Å; R430-E434 PolarHBondContact O-N 3.34Å; Q431-E434 PolarHBondContact O-N 3.12Å; Y432-E434 VanDerWaalsContact C-N 3.31Å; Y432-E434 PolarHBondContact O-N 3.48Å; E434-H436 VanDerWaalsContact C-N 3.35Å; E434-H436 PolarHBondContact O-N 3.47Å; E434-R437 PolarHBondContact O-N 2.83Å; E434-R437 IonicContact OE1-CZ 2.6Å; E434-R437 IonicContact OE1-NH2 3.51Å; E434-R437 PolarHBondContact OE1-NH2 3.44Å; E434-R437 IonicContact OE2-CZ 2.74Å; E434-R437 VanDerWaalsContact OE2-CZ 3.27Å; E434-R437 IonicContact OE2-NE 2.73Å; E434-R437 PolarHBondContact OE2-NE 2.9Å; E434-R437 IonicContact OE2-NH2 3.74Å; E434-R437 PolarHBondContact OE2-NH2 3.45Å; E434-C438 VanDerWaalsContact O-CB 3.31Å; E434-C438 WeakPolarHBondContact O-CB 3.4Å; E434-C438 PolarHBondContact O-N 2.94Å
435	C	89.1	Confident	87.2	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-59.8	-46	174.3	-72.3	0	0	0	0	111.3	I336 L340 Q431 Y432 C438 L439	I336-C435 HydrophobicContact CG2-CB 3.69Å; L340-C435 HydrophobicContact CD2-CB 4Å; Q431-C435 PolarHBondContact NE2-SG 3.38Å; Q431-C435 PolarHBondContact O-N 3.43Å; Q431-C435 PolarHBondContact O-SG 2.94Å; Y432-C435 WeakPolarHBondContact O-CB 3.48Å; Y432-C435 PolarHBondContact O-N 3Å; C435-C438 WeakPolarHBondContact O-CB 3.42Å; C435-C438 PolarHBondContact O-N 2.74Å; C435-L439 PolarHBondContact O-N 2.72Å
436	H	84.4	Confident	86	Confident	35 Å²	35	40.6 Å²	40.6	16%	0.162	22%	0.223	C	C	.	.	H	α-helix	trans	-60.4	-49.7	176.8	-86.5	-72.4	0	0	0	112.3	Y432 A433 E434 C438 L439 A440	Y432-H436 AromaticContact CD1-CD2 3.61Å; Y432-H436 AromaticContact CE1-CD2 3.28Å; Y432-H436 WeakPolarHBondContact CE1-CD2 3.43Å; Y432-H436 AromaticContact CE1-NE2 3.26Å; Y432-H436 VanDerWaalsContact CE1-NE2 3.26Å; Y432-H436 WeakPolarHBondContact CE1-NE2 3.4Å; Y432-H436 AromaticContact CE2-NE2 3.59Å; Y432-H436 AromaticContact CZ-CD2 3.54Å; Y432-H436 AromaticContact CZ-NE2 3.02Å; Y432-H436 PolarHBondContact O-CD2 2.9Å; Y432-H436 VanDerWaalsContact O-CD2 3.26Å; Y432-H436 PolarHBondContact O-N 3.36Å; Y432-H436 VanDerWaalsContact O-N 3.09Å; Y432-H436 PolarHBondContact OH-NE2 2.82Å; A433-H436 PolarHBondContact O-N 3.31Å; E434-H436 VanDerWaalsContact C-N 3.35Å; E434-H436 PolarHBondContact O-N 3.47Å; H436-C438 PolarHBondContact O-N 3.32Å; H436-L439 PolarHBondContact O-N 3.45Å; H436-A440 PolarHBondContact O-N 3.26Å
437	R	88.1	Confident	84.7	Confident	87 Å²	87	41.1 Å²	41.1	33%	0.328	22%	0.22	S	C	.	.	H	α-helix	trans	-58.1	-38.6	176.6	-166.9	-173.1	66.4	67.7	5.3	111.4	A433 E434 N441	A433-R437 WeakPolarHBondContact O-CB 3.17Å; A433-R437 PolarHBondContact O-N 3.28Å; E434-R437 PolarHBondContact O-N 2.83Å; E434-R437 IonicContact OE1-CZ 2.6Å; E434-R437 IonicContact OE1-NH2 3.51Å; E434-R437 PolarHBondContact OE1-NH2 3.44Å; E434-R437 IonicContact OE2-CZ 2.74Å; E434-R437 VanDerWaalsContact OE2-CZ 3.27Å; E434-R437 IonicContact OE2-NE 2.73Å; E434-R437 PolarHBondContact OE2-NE 2.9Å; E434-R437 IonicContact OE2-NH2 3.74Å; E434-R437 PolarHBondContact OE2-NH2 3.45Å; R437-N441 PolarHBondContact NH1-ND2 2.73Å; R437-N441 VanDerWaalsContact O-CB 3.3Å; R437-N441 WeakPolarHBondContact O-CB 3.41Å; R437-N441 PolarHBondContact O-N 3.33Å; R437-N441 PolarHBondContact O-OD1 3.03Å; R437-N441 VanDerWaalsContact O-OD1 3.09Å
438	C	89.3	Confident	83.5	Confident	6 Å²	6	44.4 Å²	44.4	4%	0.041	24%	0.243	C	C	.	.	H	α-helix	trans	-65.8	-43.4	178.3	-163.7	0	0	0	0	112.6	L340 E434 C435 H436 N441 L442	L340-C438 HydrophobicContact CD1-CB 3.92Å; L340-C438 HydrophobicContact CD2-CB 4.19Å; E434-C438 VanDerWaalsContact O-CB 3.31Å; E434-C438 WeakPolarHBondContact O-CB 3.4Å; E434-C438 PolarHBondContact O-N 2.94Å; C435-C438 WeakPolarHBondContact O-CB 3.42Å; C435-C438 PolarHBondContact O-N 2.74Å; H436-C438 PolarHBondContact O-N 3.32Å; C438-N441 PolarHBondContact O-N 3.04Å; C438-L442 WeakPolarHBondContact O-CG 3.28Å; C438-L442 PolarHBondContact O-N 2.72Å
439	L	81.1	Confident	82	Confident	14 Å²	14	44.7 Å²	44.7	7%	0.073	25%	0.245	C	C	.	.	H	α-helix	trans	-63.9	-44.4	176	-70.8	172	0	0	0	111.6	L261 L340 E343 C435 H436 N441 L442 A443	L261-L439 HydrophobicContact CD2-CD1 3.96Å; L340-L439 HydrophobicContact CD1-CD2 3.75Å; L340-L439 HydrophobicContact CD1-CG 4Å; E343-L439 HydrophobicContact CG-CD2 4.4Å; C435-L439 PolarHBondContact O-N 2.72Å; H436-L439 PolarHBondContact O-N 3.45Å; L439-N441 PolarHBondContact O-N 3.45Å; L439-L442 WeakPolarHBondContact O-CB 3.28Å; L439-L442 PolarHBondContact O-N 3.19Å; L439-A443 PolarHBondContact O-N 3.42Å
440	A	80	Confident	80.3	Confident	54 Å²	54	43.8 Å²	43.8	45%	0.446	23%	0.23	S	C	.	.	H	α-helix	trans	-60	-45.8	175.8	0	0	0	0	0	111.7	H436 L442 A443 E444	H436-A440 PolarHBondContact O-N 3.26Å; A440-L442 VanDerWaalsContact C-N 3.27Å; A440-L442 PolarHBondContact O-N 3.24Å; A440-A443 PolarHBondContact O-N 2.71Å; A440-E444 WeakPolarHBondContact O-CB 3.5Å; A440-E444 PolarHBondContact O-N 3.5Å
441	N	82.6	Confident	78.4	Confident	47 Å²	47	41.6 Å²	41.6	25%	0.251	23%	0.23	S	C	.	.	H	α-helix	trans	-65.3	-27.1	176.9	-76.9	23.5	0	0	0	113.5	K386 R437 C438 L439 F445	K386-N441 PolarHBondContact NZ-O 3.35Å; K386-N441 VanDerWaalsContact NZ-O 3.08Å; R437-N441 PolarHBondContact NH1-ND2 2.73Å; R437-N441 VanDerWaalsContact O-CB 3.3Å; R437-N441 WeakPolarHBondContact O-CB 3.41Å; R437-N441 PolarHBondContact O-N 3.33Å; R437-N441 PolarHBondContact O-OD1 3.03Å; R437-N441 VanDerWaalsContact O-OD1 3.09Å; C438-N441 PolarHBondContact O-N 3.04Å; L439-N441 PolarHBondContact O-N 3.45Å; N441-F445 WeakPolarHBondContact O-CB 3.45Å; N441-F445 PolarHBondContact O-N 3.24Å
442	L	78.8	Confident	76.7	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.01	24%	0.238	C	C	.	.	H	α-helix	trans	-71.2	-49.2	172	-79.2	173	0	0	0	110	L340 E343 L344 A347 V390 C438 L439 A440 E444 F445 Y446	L340-L442 HydrophobicContact CD1-CD1 4.42Å; E343-L442 HydrophobicContact CB-CD1 4.15Å; L344-L442 HydrophobicContact CD2-CD1 3.89Å; L344-L442 HydrophobicContact CD2-CD2 4.32Å; L344-L442 HydrophobicContact CD2-CG 4.4Å; L344-L442 HydrophobicContact CG-CD1 4.24Å; A347-L442 HydrophobicContact CB-CD2 3.63Å; V390-L442 HydrophobicContact CG2-CD2 4.05Å; C438-L442 WeakPolarHBondContact O-CG 3.28Å; C438-L442 PolarHBondContact O-N 2.72Å; L439-L442 WeakPolarHBondContact O-CB 3.28Å; L439-L442 PolarHBondContact O-N 3.19Å; A440-L442 VanDerWaalsContact C-N 3.27Å; A440-L442 PolarHBondContact O-N 3.24Å; L442-E444 PolarHBondContact O-N 2.92Å; L442-F445 WeakPolarHBondContact O-CB 3.26Å; L442-F445 PolarHBondContact O-N 3.49Å; L442-F445 VanDerWaalsContact O-N 3.16Å; L442-Y446 WeakPolarHBondContact O-CD2 3.24Å; L442-Y446 PolarHBondContact O-N 2.87Å
443	A	75.4	Confident	75	Confident	15 Å²	15	42 Å²	42	12%	0.124	24%	0.24	C	C	.	.	H	α-helix	trans	-61.1	-43.8	177.7	0	0	0	0	0	113	I256 L439 A440 F445 Y446 L447	I256-A443 HydrophobicContact CD1-CB 3.28Å; L439-A443 PolarHBondContact O-N 3.42Å; A440-A443 PolarHBondContact O-N 2.71Å; A443-F445 VanDerWaalsContact C-N 3.3Å; A443-F445 PolarHBondContact O-N 3.16Å; A443-Y446 PolarHBondContact O-N 3.12Å; A443-L447 WeakPolarHBondContact O-CB 3.37Å; A443-L447 VanDerWaalsContact O-CG 3.26Å; A443-L447 WeakPolarHBondContact O-CG 3.4Å; A443-L447 PolarHBondContact O-N 3.33Å
444	E	76.9	Confident	73.2	Confident	129 Å²	129	41.6 Å²	41.6	60%	0.603	23%	0.23	S	C	*	.	H	α-helix	trans	-58.6	-43.2	174.2	-175.7	-177.6	-176.3	0	0	111.4	A440 L442 L447 S448	A440-E444 WeakPolarHBondContact O-CB 3.5Å; A440-E444 PolarHBondContact O-N 3.5Å; L442-E444 PolarHBondContact O-N 2.92Å; E444-L447 PolarHBondContact O-N 2.9Å; E444-S448 WeakPolarHBondContact O-CB 3.47Å; E444-S448 PolarHBondContact O-N 3.34Å
445	F	76.3	Confident	71.6	Confident	22 Å²	22	47.7 Å²	47.7	10%	0.096	25%	0.251	C	S	.	.	H	α-helix	trans	-61.4	-50	177.7	169.9	-102.8	0	0	0	111.9	F383 K386 N441 L442 A443 L447 S448 V449	F383-F445 AromaticContact CD1-CZ 3.88Å; F383-F445 HydrophobicContact CD1-CZ 3.88Å; F383-F445 AromaticContact CE1-CZ 3.92Å; F383-F445 HydrophobicContact CE1-CZ 3.92Å; K386-F445 HydrophobicContact CB-CD2 3.89Å; K386-F445 HydrophobicContact CB-CE1 4.45Å; K386-F445 HydrophobicContact CB-CE2 3.38Å; K386-F445 HydrophobicContact CB-CZ 3.72Å; K386-F445 HydrophobicContact CD-CB 4.11Å; K386-F445 HydrophobicContact CD-CD1 4.26Å; K386-F445 HydrophobicContact CD-CD2 3.56Å; K386-F445 HydrophobicContact CD-CE2 3.98Å; K386-F445 HydrophobicContact CD-CG 3.7Å; K386-F445 VanDerWaalsContact CE-CB 3.46Å; K386-F445 VanDerWaalsContact CE-CG 3.45Å; K386-F445 HydrophobicContact CG-CD1 3.84Å; K386-F445 HydrophobicContact CG-CD2 3.46Å; K386-F445 VanDerWaalsContact CG-CD2 3.46Å; K386-F445 HydrophobicContact CG-CE1 3.76Å; K386-F445 HydrophobicContact CG-CE2 3.34Å; K386-F445 HydrophobicContact CG-CG 3.69Å; K386-F445 HydrophobicContact CG-CZ 3.52Å; N441-F445 WeakPolarHBondContact O-CB 3.45Å; N441-F445 PolarHBondContact O-N 3.24Å; L442-F445 WeakPolarHBondContact O-CB 3.26Å; L442-F445 PolarHBondContact O-N 3.49Å; L442-F445 VanDerWaalsContact O-N 3.16Å; A443-F445 VanDerWaalsContact C-N 3.3Å; A443-F445 PolarHBondContact O-N 3.16Å; F445-L447 VanDerWaalsContact C-N 3.34Å; F445-L447 PolarHBondContact O-N 3.4Å; F445-S448 PolarHBondContact O-N 3.5Å; F445-V449 HydrophobicContact CD2-CG2 3.62Å; F445-V449 HydrophobicContact CE1-CG2 4.47Å; F445-V449 HydrophobicContact CE2-CB 4.29Å; F445-V449 HydrophobicContact CE2-CG2 3.25Å; F445-V449 HydrophobicContact CG-CG2 4.39Å; F445-V449 HydrophobicContact CZ-CB 4.35Å; F445-V449 HydrophobicContact CZ-CG2 3.73Å; F445-V449 WeakPolarHBondContact O-CB 3.31Å; F445-V449 WeakPolarHBondContact O-CG2 3.46Å; F445-V449 PolarHBondContact O-N 3.03Å
446	Y	68	Low	69.9	Low	9 Å²	9	51.5 Å²	51.5	4%	0.035	27%	0.269	C	S	.	.	H	α-helix	trans	-62.4	-42.8	178.5	-77.5	-69.8	0	0	0	111.3	L252 A347 D350 L442 A443 F450	L252-Y446 HydrophobicContact CD1-CD2 3.18Å; L252-Y446 HydrophobicContact CD1-CE2 3.27Å; L252-Y446 HydrophobicContact CD1-CG 3.89Å; A347-Y446 WeakPolarHBondContact CA-OH 3.09Å; A347-Y446 HydrophobicContact CB-CE2 4.1Å; A347-Y446 WeakPolarHBondContact CB-OH 3.28Å; A347-Y446 PolarHBondContact N-OH 3.5Å; D350-Y446 HydrophobicContact CB-CE1 4.4Å; D350-Y446 PolarHBondContact OD2-OH 3.42Å; L442-Y446 WeakPolarHBondContact O-CD2 3.24Å; L442-Y446 PolarHBondContact O-N 2.87Å; A443-Y446 PolarHBondContact O-N 3.12Å; Y446-F450 AromaticContact CD1-CD2 3.95Å; Y446-F450 HydrophobicContact CD1-CD2 3.95Å; Y446-F450 AromaticContact CD1-CE2 3.33Å; Y446-F450 HydrophobicContact CD1-CE2 3.33Å; Y446-F450 HydrophobicContact CD1-CZ 4.1Å; Y446-F450 HydrophobicContact CE1-CE2 4.03Å; Y446-F450 HydrophobicContact CE1-CZ 4.46Å; Y446-F450 HydrophobicContact CG-CE2 4.2Å; Y446-F450 WeakPolarHBondContact O-CB 3.38Å; Y446-F450 WeakPolarHBondContact O-CD2 3.35Å; Y446-F450 WeakPolarHBondContact O-CG 2.95Å; Y446-F450 PolarHBondContact O-N 3.46Å
447	L	67.7	Low	68.2	Low	91 Å²	91	52.4 Å²	52.4	48%	0.476	27%	0.274	S	S	.	.	H	α-helix	trans	-60.8	-47	175	-72.5	169.5	0	0	0	112	V249 A443 E444 F445 T451	V249-L447 HydrophobicContact CG1-CD2 4.1Å; A443-L447 WeakPolarHBondContact O-CB 3.37Å; A443-L447 VanDerWaalsContact O-CG 3.26Å; A443-L447 WeakPolarHBondContact O-CG 3.4Å; A443-L447 PolarHBondContact O-N 3.33Å; E444-L447 PolarHBondContact O-N 2.9Å; F445-L447 VanDerWaalsContact C-N 3.34Å; F445-L447 PolarHBondContact O-N 3.4Å; L447-T451 VanDerWaalsContact O-CB 3.24Å; L447-T451 WeakPolarHBondContact O-CB 3.19Å; L447-T451 WeakPolarHBondContact O-CG2 3.25Å; L447-T451 PolarHBondContact O-N 3Å; L447-T451 PolarHBondContact O-OG1 3.46Å
448	S	69	Low	66.3	Low	74 Å²	74	53.2 Å²	53.2	52%	0.517	28%	0.28	S	S	.	.	H	α-helix	trans	-66.2	-50.4	-178.1	179.1	0	0	0	0	112	E444 F445 T451 G452	E444-S448 WeakPolarHBondContact O-CB 3.47Å; E444-S448 PolarHBondContact O-N 3.34Å; F445-S448 PolarHBondContact O-N 3.5Å; S448-T451 PolarHBondContact O-N 3.02Å; S448-T451 PolarHBondContact O-OG1 3.08Å; S448-G452 PolarHBondContact O-N 2.95Å
449	V	62.9	Low	64.6	Low	22 Å²	22	56.8 Å²	56.8	13%	0.133	31%	0.305	C	S	.	.	H	α-helix	trans	-70.2	-43.3	-176.9	170.3	0	0	0	0	111.6	F383 F445 G452 V453	F383-V449 HydrophobicContact CE1-CG1 3.89Å; F383-V449 HydrophobicContact CE2-CG1 3.65Å; F383-V449 HydrophobicContact CZ-CG1 3.21Å; F445-V449 HydrophobicContact CD2-CG2 3.62Å; F445-V449 HydrophobicContact CE1-CG2 4.47Å; F445-V449 HydrophobicContact CE2-CB 4.29Å; F445-V449 HydrophobicContact CE2-CG2 3.25Å; F445-V449 HydrophobicContact CG-CG2 4.39Å; F445-V449 HydrophobicContact CZ-CB 4.35Å; F445-V449 HydrophobicContact CZ-CG2 3.73Å; F445-V449 WeakPolarHBondContact O-CB 3.31Å; F445-V449 WeakPolarHBondContact O-CG2 3.46Å; F445-V449 PolarHBondContact O-N 3.03Å; V449-G452 PolarHBondContact O-N 3.39Å; V449-V453 HydrophobicContact CG1-CG2 3.96Å; V449-V453 VanDerWaalsContact O-CB 3.24Å; V449-V453 WeakPolarHBondContact O-CB 3.32Å; V449-V453 VanDerWaalsContact O-CG2 3.27Å; V449-V453 WeakPolarHBondContact O-CG2 3.3Å; V449-V453 PolarHBondContact O-N 3.5Å
450	F	56.6	Low	62.8	Low	45 Å²	45	60.5 Å²	60.5	20%	0.197	32%	0.322	C	S	.	.	H	α-helix	trans	-67.7	-38.9	177.7	-72.8	-55.1	0	0	0	112.1	T245 V249 Y446 L454	T245-F450 VanDerWaalsContact CB-CE1 3.48Å; T245-F450 HydrophobicContact CG2-CB 3.77Å; T245-F450 HydrophobicContact CG2-CD1 3.07Å; T245-F450 HydrophobicContact CG2-CD2 3.44Å; T245-F450 VanDerWaalsContact CG2-CD2 3.44Å; T245-F450 HydrophobicContact CG2-CE1 3.28Å; T245-F450 HydrophobicContact CG2-CE2 3.56Å; T245-F450 HydrophobicContact CG2-CG 3.16Å; T245-F450 HydrophobicContact CG2-CZ 3.5Å; T245-F450 VanDerWaalsContact CG2-CZ 3.5Å; T245-F450 WeakPolarHBondContact OG1-CD1 3.28Å; T245-F450 WeakPolarHBondContact OG1-CE1 3.36Å; T245-F450 VanDerWaalsContact OG1-CZ 3.23Å; T245-F450 WeakPolarHBondContact OG1-CZ 3.46Å; V249-F450 HydrophobicContact CG2-CD2 3.6Å; V249-F450 HydrophobicContact CG2-CE2 3.94Å; Y446-F450 AromaticContact CD1-CD2 3.95Å; Y446-F450 HydrophobicContact CD1-CD2 3.95Å; Y446-F450 AromaticContact CD1-CE2 3.33Å; Y446-F450 HydrophobicContact CD1-CE2 3.33Å; Y446-F450 HydrophobicContact CD1-CZ 4.1Å; Y446-F450 HydrophobicContact CE1-CE2 4.03Å; Y446-F450 HydrophobicContact CE1-CZ 4.46Å; Y446-F450 HydrophobicContact CG-CE2 4.2Å; Y446-F450 WeakPolarHBondContact O-CB 3.38Å; Y446-F450 WeakPolarHBondContact O-CD2 3.35Å; Y446-F450 WeakPolarHBondContact O-CG 2.95Å; Y446-F450 PolarHBondContact O-N 3.46Å; F450-L454 WeakPolarHBondContact O-CB 3.23Å; F450-L454 WeakPolarHBondContact O-CD1 3.47Å; F450-L454 WeakPolarHBondContact O-CG 3.46Å; F450-L454 PolarHBondContact O-N 2.95Å; F450-L454 VanDerWaalsContact O-N 3.17Å
451	T	55.3	Low	60.8	Low	75 Å²	75	67.1 Å²	67.1	46%	0.46	34%	0.344	S	S	.	.	H	α-helix	trans	-73.4	-30.2	176.6	60.6	0	0	0	0	113.3	L447 S448 R455	L447-T451 VanDerWaalsContact O-CB 3.24Å; L447-T451 WeakPolarHBondContact O-CB 3.19Å; L447-T451 WeakPolarHBondContact O-CG2 3.25Å; L447-T451 PolarHBondContact O-N 3Å; L447-T451 PolarHBondContact O-OG1 3.46Å; S448-T451 PolarHBondContact O-N 3.02Å; S448-T451 PolarHBondContact O-OG1 3.08Å; T451-R455 WeakPolarHBondContact O-CB 3.48Å; T451-R455 PolarHBondContact O-N 3.09Å
452	G	59.5	Low	59.8	Low	21 Å²	21	68.1 Å²	68.1	22%	0.216	35%	0.348	C	S	.	.	H	α-helix	trans	-74.8	-57.7	177.4	0	0	0	0	0	112	S448 V449 L454 R455 E456	S448-G452 PolarHBondContact O-N 2.95Å; V449-G452 PolarHBondContact O-N 3.39Å; G452-L454 PolarHBondContact O-N 3.37Å; G452-R455 PolarHBondContact O-N 2.92Å; G452-R455 VanDerWaalsContact O-N 3.14Å; G452-E456 PolarHBondContact O-N 3.05Å
453	V	53.1	Low	58.8	Low	30 Å²	30	71.6 Å²	71.6	18%	0.182	37%	0.366	C	S	.	.	H	α-helix	trans	-64.3	-42.1	-176.4	177.4	0	0	0	0	111.3	V379 F383 V449 R455 E456 I457	V379-V453 HydrophobicContact CG1-CG2 3.63Å; V379-V453 HydrophobicContact CG2-CG2 4.18Å; F383-V453 HydrophobicContact CE2-CG2 4.48Å; V449-V453 HydrophobicContact CG1-CG2 3.96Å; V449-V453 VanDerWaalsContact O-CB 3.24Å; V449-V453 WeakPolarHBondContact O-CB 3.32Å; V449-V453 VanDerWaalsContact O-CG2 3.27Å; V449-V453 WeakPolarHBondContact O-CG2 3.3Å; V449-V453 PolarHBondContact O-N 3.5Å; V453-R455 VanDerWaalsContact C-N 3.32Å; V453-R455 PolarHBondContact O-N 3.14Å; V453-E456 PolarHBondContact O-N 2.79Å; V453-I457 HydrophobicContact CG1-CD1 3.54Å; V453-I457 HydrophobicContact CG1-CG1 4.29Å; V453-I457 WeakPolarHBondContact O-CB 3.37Å; V453-I457 WeakPolarHBondContact O-CG1 3.17Å; V453-I457 PolarHBondContact O-N 3.35Å
454	L	52.1	Low	57.8	Low	49 Å²	49	74.7 Å²	74.7	26%	0.257	38%	0.38	S	S	.	.	H	α-helix	trans	-67.2	-32.7	176.1	-68.2	173	0	0	0	112.5	F450 G452 K458	F450-L454 WeakPolarHBondContact O-CB 3.23Å; F450-L454 WeakPolarHBondContact O-CD1 3.47Å; F450-L454 WeakPolarHBondContact O-CG 3.46Å; F450-L454 PolarHBondContact O-N 2.95Å; F450-L454 VanDerWaalsContact O-N 3.17Å; G452-L454 PolarHBondContact O-N 3.37Å; L454-K458 WeakPolarHBondContact O-CB 3.34Å; L454-K458 VanDerWaalsContact O-CG 3.24Å; L454-K458 WeakPolarHBondContact O-CG 3.28Å; L454-K458 PolarHBondContact O-N 2.66Å
455	R	57.6	Low	56.7	Low	175 Å²	175	71.5 Å²	71.5	66%	0.66	37%	0.366	S	S	*	.	H	α-helix	trans	-69.2	-41	177.5	-173.3	-171	-49.8	165.8	8.3	111	T451 G452 V453 S459	T451-R455 WeakPolarHBondContact O-CB 3.48Å; T451-R455 PolarHBondContact O-N 3.09Å; G452-R455 PolarHBondContact O-N 2.92Å; G452-R455 VanDerWaalsContact O-N 3.14Å; V453-R455 VanDerWaalsContact C-N 3.32Å; V453-R455 PolarHBondContact O-N 3.14Å; R455-S459 WeakPolarHBondContact O-CB 3.49Å; R455-S459 PolarHBondContact O-N 2.76Å; R455-S459 PolarHBondContact O-OG 3.27Å
456	E	53.2	Low	55.5	Low	79 Å²	79	74.6 Å²	74.6	37%	0.369	38%	0.383	S	S	.	.	H	α-helix	trans	-68.3	-44.6	177.8	-72.5	166.2	-169	0	0	110.7	G452 V453 S459 Q460	G452-E456 PolarHBondContact O-N 3.05Å; V453-E456 PolarHBondContact O-N 2.79Å; E456-S459 PolarHBondContact O-N 2.96Å; E456-S459 PolarHBondContact O-OG 3.3Å; E456-Q460 VanDerWaalsContact O-CG 3.25Å; E456-Q460 WeakPolarHBondContact O-CG 3.43Å
457	I	48.9	Very low	54.7	Low	54 Å²	54	79 Å²	79	28%	0.277	41%	0.406	S	S	.	.	H	α-helix	trans	-65.6	-43	176.4	-64.8	170	0	0	0	112	W357 V453 S459 Q460	W357-I457 HydrophobicContact CH2-CD1 3.95Å; V453-I457 HydrophobicContact CG1-CD1 3.54Å; V453-I457 HydrophobicContact CG1-CG1 4.29Å; V453-I457 WeakPolarHBondContact O-CB 3.37Å; V453-I457 WeakPolarHBondContact O-CG1 3.17Å; V453-I457 PolarHBondContact O-N 3.35Å; I457-S459 VanDerWaalsContact C-N 3.3Å; I457-S459 PolarHBondContact O-N 3.11Å; I457-Q460 WeakPolarHBondContact O-CB 3.45Å; I457-Q460 PolarHBondContact O-N 3.05Å
458	K	48	Very low	53.7	Low	104 Å²	104	78.1 Å²	78.1	45%	0.452	40%	0.401	S	S	.	.	H	α-helix	trans	-71.7	-21.4	178.7	-72.7	-177	-179.4	-173.7	0	113.8	E242 L454 Q460	E242-K458 VanDerWaalsContact CD-NZ 3.29Å; E242-K458 IonicContact OE1-NZ 2.74Å; E242-K458 PolarHBondContact OE1-NZ 3.39Å; E242-K458 IonicContact OE2-NZ 3.56Å; E242-K458 PolarHBondContact OE2-NZ 3.22Å; E242-K458 VanDerWaalsContact OE2-NZ 3.08Å; L454-K458 WeakPolarHBondContact O-CB 3.34Å; L454-K458 VanDerWaalsContact O-CG 3.24Å; L454-K458 WeakPolarHBondContact O-CG 3.28Å; L454-K458 PolarHBondContact O-N 2.66Å; K458-Q460 PolarHBondContact O-N 3.42Å
459	S	52.9	Low	52.5	Low	81 Å²	81	78.5 Å²	78.5	57%	0.566	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-7.1	173.3	74.4	0	0	0	0	113.3	R455 E456 I457	R455-S459 WeakPolarHBondContact O-CB 3.49Å; R455-S459 PolarHBondContact O-N 2.76Å; R455-S459 PolarHBondContact O-OG 3.27Å; E456-S459 PolarHBondContact O-N 2.96Å; E456-S459 PolarHBondContact O-OG 3.3Å; I457-S459 VanDerWaalsContact C-N 3.3Å; I457-S459 PolarHBondContact O-N 3.11Å
460	Q	43.9	Very low	51.7	Low	93 Å²	93	83.2 Å²	83.2	44%	0.435	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-7.3	-171	-67.2	-70.3	-52.4	0	0	114.2	Y372 E456 I457 K458	Y372-Q460 HydrophobicContact CD1-CG 4.49Å; Y372-Q460 HydrophobicContact CE1-CG 4.09Å; Y372-Q460 VanDerWaalsContact CZ-NE2 3.26Å; Y372-Q460 VanDerWaalsContact OH-CD 3.29Å; Y372-Q460 PolarHBondContact OH-NE2 3.29Å; Y372-Q460 PolarHBondContact OH-OE1 3.2Å; E456-Q460 VanDerWaalsContact O-CG 3.25Å; E456-Q460 WeakPolarHBondContact O-CG 3.43Å; I457-Q460 WeakPolarHBondContact O-CB 3.45Å; I457-Q460 PolarHBondContact O-N 3.05Å; K458-Q460 PolarHBondContact O-N 3.42Å
461	Q	39.1	Very low	51.2	Low	192 Å²	192	86.6 Å²	86.6	90%	0.897	43%	0.434	S	S	*	.			trans	-93.2	0	164	-75.1	-176.9	-9.5	0	0	109.1	E238	E238-Q461 PolarHBondContact OE2-NE2 2.95Å

Retrieved 461 of 461 residues in 245.5 ms (Link to these results)

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