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Adenine DNA glycosylase

Involved in oxidative DNA damage repair. Initiates repair of A*oxoG to C*G by removing the inappropriately paired adenine base from the DNA backbone. Possesses both adenine and 2-OH-A DNA glycosylase activities.

AlphaFold DB , UniProt , Accession Q99P21, Species MOUSE (Mus musculus, Mouse), Gene Mutyh, Length 515 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.9	Very low	34.8	Very low	245 Å²	245	166.5 Å²	166.5	100%	1.207	86%	0.855	S	S	*	*				0	151.6	0	-73.8	177.7	169.4	0	0	109.4
2	K	37.2	Very low	34.8	Very low	204 Å²	204	169.2 Å²	169.2	89%	0.887	86%	0.856	S	S	*	*			trans	-14.3	139.4	162.9	-69.1	168.4	-177.2	173.9	0	114.9
3	K	38.5	Very low	34.9	Very low	185 Å²	185	171.8 Å²	171.8	80%	0.804	86%	0.858	S	S	*	*			cis	-154.2	168.2	9.7	-95.9	169.2	169.2	-177.5	0	105.5
4	L	40	Very low	34.9	Very low	149 Å²	149	172.9 Å²	172.9	78%	0.78	86%	0.859	S	S	*	*			cis	-156.8	-176.5	0.2	-125.5	163.5	0	0	0	108.3
5	Q	31	Very low	34.9	Very low	184 Å²	184	170.2 Å²	170.2	86%	0.86	86%	0.859	S	S	*	*			trans	-127	151.7	162.7	-74.5	175.6	-38	0	0	109.3
6	A	39.8	Very low	35.1	Very low	104 Å²	104	165.6 Å²	165.6	86%	0.86	86%	0.856	S	S	*	*			trans	-144.9	98.4	161.3	0	0	0	0	0	110.1
7	S	31.4	Very low	35.1	Very low	107 Å²	107	164.9 Å²	164.9	75%	0.748	85%	0.854	S	S	*	*			trans	-97.9	136.1	165.2	177.5	0	0	0	0	108.2
8	V	36	Very low	35.3	Very low	141 Å²	141	166.5 Å²	166.5	86%	0.855	86%	0.856	S	S	*	*			trans	-117.4	116.2	168	-179.8	0	0	0	0	108.4
9	R	33.6	Very low	35.3	Very low	227 Å²	227	167.5 Å²	167.5	86%	0.857	85%	0.853	S	S	*	*			trans	-85.3	147.2	176	-77.4	178.5	167.2	-176.9	-4.2	111.2
10	S	29.1	Very low	35.3	Very low	97 Å²	97	170.8 Å²	170.8	68%	0.678	86%	0.855	S	S	*	*			trans	-9.7	135.4	154.2	-179.2	0	0	0	0	117.9
11	H	33.8	Very low	35.2	Very low	188 Å²	188	173.6 Å²	173.6	87%	0.87	86%	0.855	S	S	*	*			trans	-143.8	107.7	132.2	-98	-69.2	0	0	0	111.5
12	K	34	Very low	35.1	Very low	199 Å²	199	173.9 Å²	173.9	87%	0.865	84%	0.843	S	S	*	*			trans	-66.6	132.3	157.1	-80.9	-179.7	173.2	177.9	0	108.7
13	K	35.8	Very low	35.1	Very low	204 Å²	204	170.5 Å²	170.5	89%	0.887	84%	0.84	S	S	*	*			trans	-114.9	134.9	157.4	-84.8	-172.1	173	-179.4	0	109.1
14	Q	35.4	Very low	34.6	Very low	186 Å²	186	173.6 Å²	173.6	87%	0.869	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-73.7	154.3	173	-69.6	171.9	-24.3	0	0	110.5
15	P	35.7	Very low	34.4	Very low	133 Å²	133	170.9 Å²	170.9	86%	0.864	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-79.3	136.1	176.9	32.2	-33.3	0	0	0	111.3
16	A	38.2	Very low	34.5	Very low	97 Å²	97	170.4 Å²	170.4	80%	0.802	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-100.9	142.8	172.2	0	0	0	0	0	111.2
17	N	35	Very low	34.3	Very low	153 Å²	153	170.3 Å²	170.3	82%	0.818	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-56.8	134.7	-179.7	-94.4	-56.5	0	0	0	113.7
18	H	37.5	Very low	34.2	Very low	194 Å²	194	170.7 Å²	170.7	90%	0.898	84%	0.843	S	S	*	*			trans	-135.6	94.6	149.9	-100.6	-59.9	0	0	0	112.1
19	K	35.1	Very low	34.2	Very low	185 Å²	185	169.3 Å²	169.3	80%	0.804	84%	0.84	S	S	*	*			trans	-71	125.6	152.8	-76.4	177.4	175.1	174.8	0	108.2
20	R	36.4	Very low	34.2	Very low	234 Å²	234	167.1 Å²	167.1	88%	0.883	84%	0.84	S	S	*	*			trans	-176.5	143.3	130.9	-105.5	168.4	-179.7	-160.3	-0.5	114.7
21	R	33.1	Very low	34.5	Very low	229 Å²	229	167.2 Å²	167.2	86%	0.864	85%	0.846	S	S	*	*			trans	62.5	104.8	155.9	-81.8	-178.2	163.2	171.9	-6.1	119.8
22	R	30.7	Very low	34.6	Very low	251 Å²	251	167.5 Å²	167.5	95%	0.947	85%	0.845	S	S	*	*			trans	-42.4	131.7	140.4	-73.2	172.6	161.9	174.1	-6.8	111.1
23	T	36.7	Very low	34.5	Very low	134 Å²	134	162.6 Å²	162.6	82%	0.822	83%	0.833	S	S	*	*			trans	-142.7	132	150	16	0	0	0	0	108	A25	T23-A25 PolarHBondContact O-N 3.45Å
24	R	29.4	Very low	35	Very low	249 Å²	249	158 Å²	158	94%	0.94	83%	0.828	S	S	*	*			trans	-66.4	128.6	172.6	-77.7	171.9	163.1	171.4	-7.8	108.4
25	A	35.8	Very low	35.5	Very low	92 Å²	92	152.3 Å²	152.3	76%	0.76	81%	0.808	S	S	*	*			trans	-125.2	106.3	162.8	0	0	0	0	0	107.8	T23 S27	T23-A25 PolarHBondContact O-N 3.45Å; A25-S27 PolarHBondContact O-N 2.99Å
26	L	31.5	Very low	35.8	Very low	174 Å²	174	152.3 Å²	152.3	91%	0.911	80%	0.8	S	S	*	*			trans	-71.7	122.3	161.4	-69.7	115.6	0	0	0	106.9
27	S	35.8	Very low	36.2	Very low	103 Å²	103	154.2 Å²	154.2	72%	0.72	80%	0.797	S	S	*	*			trans	-126.8	99.5	168.2	59.8	0	0	0	0	108.8	A25 S29	A25-S27 PolarHBondContact O-N 2.99Å; S27-S29 PolarHBondContact O-N 2.68Å; S27-S29 VanDerWaalsContact O-N 3.08Å
28	S	30.1	Very low	36.7	Very low	114 Å²	114	148.4 Å²	148.4	80%	0.797	77%	0.773	S	S	*	*			trans	-68.9	95.3	169.5	52.8	0	0	0	0	109.5	Q30	S28-Q30 PolarHBondContact O-N 3.39Å
29	S	35.4	Very low	37	Very low	113 Å²	113	144.2 Å²	144.2	79%	0.79	76%	0.757	S	S	*	*			trans	-78.4	92.4	163.1	43	0	0	0	0	108.8	S27 A31	S27-S29 PolarHBondContact O-N 2.68Å; S27-S29 VanDerWaalsContact O-N 3.08Å; S29-A31 PolarHBondContact O-N 3.16Å
30	Q	34.4	Very low	37.4	Very low	180 Å²	180	138.5 Å²	138.5	84%	0.841	74%	0.744	S	S	*	*			trans	-61.8	103.6	166	-75	-179.1	-18.2	0	0	108.8	S28 K32	S28-Q30 PolarHBondContact O-N 3.39Å; Q30-K32 PolarHBondContact O-N 3.23Å
31	A	35	Very low	38.3	Very low	99 Å²	99	133.6 Å²	133.6	82%	0.818	73%	0.729	S	S	*	*			trans	-63.8	105.6	166.8	0	0	0	0	0	108.4	S29	S29-A31 PolarHBondContact O-N 3.16Å
32	K	34.9	Very low	39.3	Very low	194 Å²	194	128 Å²	128	84%	0.843	71%	0.713	S	S	*	*			trans	-60	141.9	170.3	-78.2	-178.3	173.8	179.9	0	109.1	Q30 S34	Q30-K32 PolarHBondContact O-N 3.23Å; K32-S34 PolarHBondContact O-N 3.26Å
33	P	33.2	Very low	40.3	Very low	96 Å²	96	122.9 Å²	122.9	62%	0.623	70%	0.697	S	S	*	*			trans	-73.1	131.4	-162.3	28.4	-35.9	0	0	0	112.6	S35	P33-S35 PolarHBondContact O-N 2.94Å; P33-S35 VanDerWaalsContact O-N 3.11Å
34	S	45.1	Very low	41.3	Very low	109 Å²	109	125.2 Å²	125.2	76%	0.762	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	9	170.3	47.1	0	0	0	0	114.2	K32 G38	K32-S34 PolarHBondContact O-N 3.26Å; S34-G38 PolarHBondContact O-N 3.24Å
35	S	47.4	Very low	42.7	Very low	65 Å²	65	116 Å²	116	46%	0.455	66%	0.659	S	S	.	*	H	α-helix	trans	-75.6	-33.8	-171.6	58	0	0	0	0	114.2	P33 G38 L39	P33-S35 PolarHBondContact O-N 2.94Å; P33-S35 VanDerWaalsContact O-N 3.11Å; S35-G38 PolarHBondContact O-N 3.34Å; S35-L39 PolarHBondContact O-N 3.06Å
36	L	42	Very low	43.7	Very low	133 Å²	133	117.6 Å²	117.6	70%	0.696	65%	0.65	S	S	*	*	H	α-helix	trans	-67.7	-43.2	-177.3	-75	169.2	0	0	0	112.3	G38 L39 A40	L36-G38 VanDerWaalsContact C-N 3.32Å; L36-L39 PolarHBondContact O-N 3.35Å; L36-A40 WeakPolarHBondContact O-CB 3.4Å; L36-A40 PolarHBondContact O-N 3.28Å
37	D	45.6	Very low	44.9	Very low	137 Å²	137	115.2 Å²	115.2	73%	0.733	64%	0.638	S	S	*	*	H	α-helix	trans	-66.2	-35.8	173.6	-77.3	-28.2	0	0	0	111.8	K41	D37-K41 WeakPolarHBondContact O-CB 3.34Å; D37-K41 PolarHBondContact O-N 2.96Å
38	G	45.9	Very low	46	Very low	31 Å²	31	113.2 Å²	113.2	32%	0.32	62%	0.619	S	S	.	*	H	α-helix	trans	-60.6	-49.7	174.8	0	0	0	0	0	112.6	S34 S35 L36 K41 Q42	S34-G38 PolarHBondContact O-N 3.24Å; S35-G38 PolarHBondContact O-N 3.34Å; L36-G38 VanDerWaalsContact C-N 3.32Å; G38-K41 PolarHBondContact O-N 3.42Å; G38-Q42 WeakPolarHBondContact O-CG 3.31Å; G38-Q42 PolarHBondContact O-N 3.47Å
39	L	42.7	Very low	47.4	Very low	107 Å²	107	112.2 Å²	112.2	56%	0.56	60%	0.602	S	S	*	*	H	α-helix	trans	-63	-43.6	177.5	-87.9	154.4	0	0	0	112.7	S35 L36 K41 Q42 K43	S35-L39 PolarHBondContact O-N 3.06Å; L36-L39 PolarHBondContact O-N 3.35Å; L39-K41 VanDerWaalsContact C-N 3.29Å; L39-K41 PolarHBondContact O-N 3.07Å; L39-Q42 PolarHBondContact O-N 3.4Å; L39-K43 WeakPolarHBondContact O-CB 3.34Å; L39-K43 PolarHBondContact O-N 3.24Å
40	A	44.1	Very low	48.5	Very low	65 Å²	65	111 Å²	111	54%	0.537	60%	0.599	S	S	.	*	H	α-helix	trans	-63.5	-37	176.5	0	0	0	0	0	112	L36 R44	L36-A40 WeakPolarHBondContact O-CB 3.4Å; L36-A40 PolarHBondContact O-N 3.28Å; A40-R44 WeakPolarHBondContact O-CB 3.42Å; A40-R44 PolarHBondContact O-N 3.43Å
41	K	55.7	Low	50.2	Low	130 Å²	130	104.9 Å²	104.9	57%	0.565	58%	0.575	S	S	*	*	H	α-helix	trans	-69.9	-48.5	176.7	-172.5	179.7	173.2	-168.1	0	112	D37 G38 L39 K43 R44 E45	D37-K41 WeakPolarHBondContact O-CB 3.34Å; D37-K41 PolarHBondContact O-N 2.96Å; G38-K41 PolarHBondContact O-N 3.42Å; L39-K41 VanDerWaalsContact C-N 3.29Å; L39-K41 PolarHBondContact O-N 3.07Å; K41-K43 PolarHBondContact O-N 2.83Å; K41-R44 WeakPolarHBondContact O-CB 3.33Å; K41-R44 PolarHBondContact O-N 2.99Å; K41-R44 VanDerWaalsContact O-N 3.17Å; K41-E45 WeakPolarHBondContact CE-OE1 3.24Å; K41-E45 WeakPolarHBondContact O-CG 3.3Å; K41-E45 PolarHBondContact O-N 3.49Å
42	Q	53.6	Low	52.2	Low	113 Å²	113	101.1 Å²	101.1	53%	0.528	54%	0.542	S	S	.	.	H	α-helix	trans	-56.9	-48.9	175.5	-77.4	178.4	-43.5	0	0	111.7	G38 L39 R44 E45 E46	G38-Q42 WeakPolarHBondContact O-CG 3.31Å; G38-Q42 PolarHBondContact O-N 3.47Å; L39-Q42 PolarHBondContact O-N 3.4Å; Q42-R44 PolarHBondContact O-N 3.36Å; Q42-E45 CarbonylContact O-C 3.59Å; Q42-E45 WeakPolarHBondContact O-CA 3.41Å; Q42-E45 WeakPolarHBondContact O-CB 3.28Å; Q42-E45 PolarHBondContact O-N 2.83Å; Q42-E46 WeakPolarHBondContact O-CG 3.37Å; Q42-E46 PolarHBondContact O-N 3.02Å
43	K	52.1	Low	54.5	Low	142 Å²	142	93 Å²	93	62%	0.617	51%	0.51	S	S	*	.	H	α-helix	trans	-62	-32.7	179.1	-165.9	171.3	-172.6	174	0	112.8	L39 K41 L47	L39-K43 WeakPolarHBondContact O-CB 3.34Å; L39-K43 PolarHBondContact O-N 3.24Å; K41-K43 PolarHBondContact O-N 2.83Å; K43-L47 WeakPolarHBondContact O-CB 3.5Å; K43-L47 WeakPolarHBondContact O-CD1 3.41Å; K43-L47 VanDerWaalsContact O-CG 3.27Å; K43-L47 WeakPolarHBondContact O-CG 3.26Å; K43-L47 PolarHBondContact O-N 3.45Å; K43-L47 VanDerWaalsContact O-N 3.14Å
44	R	57.9	Low	57.1	Low	184 Å²	184	92.4 Å²	92.4	69%	0.694	51%	0.506	S	S	*	.	H	α-helix	trans	-72.1	-37.2	173	-170.8	177.3	-176.4	178.9	2.2	111.9	A40 K41 Q42 L48	A40-R44 WeakPolarHBondContact O-CB 3.42Å; A40-R44 PolarHBondContact O-N 3.43Å; K41-R44 WeakPolarHBondContact O-CB 3.33Å; K41-R44 PolarHBondContact O-N 2.99Å; K41-R44 VanDerWaalsContact O-N 3.17Å; Q42-R44 PolarHBondContact O-N 3.36Å; R44-L48 HydrophobicContact CG-CD1 4.32Å; R44-L48 WeakPolarHBondContact O-CD1 3.48Å; R44-L48 WeakPolarHBondContact O-CG 3.24Å; R44-L48 PolarHBondContact O-N 3.31Å; R44-L48 VanDerWaalsContact O-N 3.09Å
45	E	58.1	Low	59.2	Low	55 Å²	55	88.6 Å²	88.6	26%	0.257	48%	0.475	S	S	.	.	H	α-helix	trans	-66.8	-41.5	176.1	-74.6	167.7	172.1	0	0	111.7	K41 Q42 L48 Q49	K41-E45 WeakPolarHBondContact CE-OE1 3.24Å; K41-E45 WeakPolarHBondContact O-CG 3.3Å; K41-E45 PolarHBondContact O-N 3.49Å; Q42-E45 CarbonylContact O-C 3.59Å; Q42-E45 WeakPolarHBondContact O-CA 3.41Å; Q42-E45 WeakPolarHBondContact O-CB 3.28Å; Q42-E45 PolarHBondContact O-N 2.83Å; E45-L48 PolarHBondContact O-N 3.2Å; E45-Q49 WeakPolarHBondContact O-CG 3.42Å; E45-Q49 PolarHBondContact O-N 2.82Å
46	E	57.2	Low	61.4	Low	126 Å²	126	85.5 Å²	85.5	59%	0.589	45%	0.453	S	S	*	.	H	α-helix	trans	-61.4	-49.1	172.2	-71.3	172.1	168.6	0	0	112.2	Q42 L48 Q49 A50	Q42-E46 WeakPolarHBondContact O-CG 3.37Å; Q42-E46 PolarHBondContact O-N 3.02Å; E46-L48 VanDerWaalsContact C-N 3.26Å; E46-L48 PolarHBondContact O-N 3.47Å; E46-Q49 PolarHBondContact O-N 2.7Å; E46-Q49 VanDerWaalsContact O-N 3.13Å; E46-A50 PolarHBondContact O-N 3.21Å
47	L	57.3	Low	63.9	Low	124 Å²	124	81.8 Å²	81.8	65%	0.649	43%	0.434	S	S	*	.	H	α-helix	trans	-59.9	-34.9	177.1	-78.2	166.7	0	0	0	112.7	K43	K43-L47 WeakPolarHBondContact O-CB 3.5Å; K43-L47 WeakPolarHBondContact O-CD1 3.41Å; K43-L47 VanDerWaalsContact O-CG 3.27Å; K43-L47 WeakPolarHBondContact O-CG 3.26Å; K43-L47 PolarHBondContact O-N 3.45Å; K43-L47 VanDerWaalsContact O-N 3.14Å
48	L	58.8	Low	66.2	Low	60 Å²	60	75.4 Å²	75.4	31%	0.314	40%	0.4	S	S	.	.	H	α-helix	trans	-69.6	-42.2	174.9	-72.3	164.1	0	0	0	111.4	R44 E45 E46 S51 L228	R44-L48 HydrophobicContact CG-CD1 4.32Å; R44-L48 WeakPolarHBondContact O-CD1 3.48Å; R44-L48 WeakPolarHBondContact O-CG 3.24Å; R44-L48 PolarHBondContact O-N 3.31Å; R44-L48 VanDerWaalsContact O-N 3.09Å; E45-L48 PolarHBondContact O-N 3.2Å; E46-L48 VanDerWaalsContact C-N 3.26Å; E46-L48 PolarHBondContact O-N 3.47Å; L48-S51 PolarHBondContact O-N 3.31Å; L48-S51 PolarHBondContact O-OG 3.09Å; L48-L228 HydrophobicContact CB-CD1 4Å; L48-L228 HydrophobicContact CD2-CD1 3.92Å; L48-L228 HydrophobicContact CG-CD1 4.47Å
49	Q	59.9	Low	68.2	Low	94 Å²	94	78.1 Å²	78.1	44%	0.439	41%	0.414	S	S	.	.	H	α-helix	trans	-65.9	-37.1	177.8	-74.2	-177.1	2.4	0	0	113	E45 E46 S51 V52 N235	E45-Q49 WeakPolarHBondContact O-CG 3.42Å; E45-Q49 PolarHBondContact O-N 2.82Å; E46-Q49 PolarHBondContact O-N 2.7Å; E46-Q49 VanDerWaalsContact O-N 3.13Å; Q49-S51 PolarHBondContact O-N 2.87Å; Q49-V52 WeakPolarHBondContact O-CB 3.16Å; Q49-V52 PolarHBondContact O-N 3.04Å; Q49-N235 PolarHBondContact NE2-ND2 3.13Å
50	A	57.4	Low	70.5	Confident	88 Å²	88	77.4 Å²	77.4	73%	0.727	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-18.7	179.5	0	0	0	0	0	114.3	E46	E46-A50 PolarHBondContact O-N 3.21Å
51	S	69.7	Low	72.9	Confident	51 Å²	51	79.6 Å²	79.6	36%	0.357	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-4.9	176.2	74.3	0	0	0	0	114.7	L48 Q49	L48-S51 PolarHBondContact O-N 3.31Å; L48-S51 PolarHBondContact O-OG 3.09Å; Q49-S51 PolarHBondContact O-N 2.87Å
52	V	78	Confident	74.9	Confident	19 Å²	19	76.1 Å²	76.1	12%	0.115	41%	0.413	C	S	.	.	S	Bend	trans	-91.7	127.9	-171.4	177.9	0	0	0	0	111.5	Q49 H56 L57 L309	Q49-V52 WeakPolarHBondContact O-CB 3.16Å; Q49-V52 PolarHBondContact O-N 3.04Å; V52-H56 HydrophobicContact CG1-CB 4.12Å; V52-L57 HydrophobicContact CG1-CG 4.38Å; V52-L309 HydrophobicContact CB-CD1 4.43Å; V52-L309 HydrophobicContact CG1-CD1 3.5Å; V52-L309 HydrophobicContact CG1-CG 4.48Å; V52-L309 HydrophobicContact CG2-CD1 4.06Å
53	S	84.2	Confident	76.9	Confident	24 Å²	24	72.9 Å²	72.9	17%	0.168	40%	0.399	C	S	.	.			trans	-61.2	137.7	173.3	177.2	0	0	0	0	112	Y55 H56 C300	S53-Y55 PolarHBondContact O-N 3.4Å; S53-Y55 WeakPolarHBondContact OG-CB 3.37Å; S53-Y55 PolarHBondContact OG-N 3.34Å; S53-H56 PolarHBondContact O-N 3.47Å; S53-C300 WeakPolarHBondContact CB-SG 3.32Å; S53-C300 PolarHBondContact OG-SG 3.1Å
54	P	87.3	Confident	79.1	Confident	84 Å²	84	66.5 Å²	66.5	55%	0.545	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-52.9	-19.8	168.4	-27.2	35.7	0	0	0	114.3	H56 L57 R278	P54-H56 PolarHBondContact O-N 3.45Å; P54-L57 PolarHBondContact O-N 3.05Å; P54-R278 PolarHBondContact O-NH2 2.88Å; P54-R278 VanDerWaalsContact O-NH2 3.09Å
55	Y	89.4	Confident	81	Confident	28 Å²	28	61.4 Å²	61.4	11%	0.11	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-63.8	-19.6	172.6	-179.8	-96	0	0	0	113.7	S53 A219 R278 E298 C300	S53-Y55 PolarHBondContact O-N 3.4Å; S53-Y55 WeakPolarHBondContact OG-CB 3.37Å; S53-Y55 PolarHBondContact OG-N 3.34Å; Y55-A219 HydrophobicContact CE1-CB 3.67Å; Y55-A219 WeakPolarHBondContact OH-CB 3.12Å; Y55-R278 HydrophobicContact CE2-CB 4.41Å; Y55-R278 HydrophobicContact CE2-CG 4.37Å; Y55-R278 WeakPolarHBondContact O-CD 3.37Å; Y55-R278 PolarHBondContact O-NE 2.92Å; Y55-R278 PolarHBondContact O-NH1 3.03Å; Y55-R278 PolarHBondContact O-NH2 3.33Å; Y55-E298 HydrophobicContact CE1-CB 4.38Å; Y55-E298 HydrophobicContact CE2-CB 3.74Å; Y55-E298 HydrophobicContact CE2-CG 3.66Å; Y55-E298 VanDerWaalsContact OH-CD 3.3Å; Y55-E298 PolarHBondContact OH-OE2 3.01Å; Y55-C300 VanDerWaalsContact CB-SG 3.58Å
56	H	93.2	Very high	82.9	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-102.7	7.9	176.5	-59	-62.5	0	0	0	113.9	V52 S53 P54 R218 A219 I220 H232 C307 L309 C310	V52-H56 HydrophobicContact CG1-CB 4.12Å; S53-H56 PolarHBondContact O-N 3.47Å; P54-H56 PolarHBondContact O-N 3.45Å; H56-R218 PolarHBondContact ND1-O 3.32Å; H56-A219 PolarHBondContact CE1-O 2.85Å; H56-A219 PolarHBondContact ND1-O 2.93Å; H56-I220 HydrophobicContact CB-CG1 4.42Å; H56-H232 PolarHBondContact O-NE2 2.94Å; H56-C307 VanDerWaalsContact CD2-SG 3.55Å; H56-C307 PolarHBondContact NE2-SG 3.32Å; H56-C307 VanDerWaalsContact NE2-SG 3.43Å; H56-L309 HydrophobicContact CB-CD1 3.71Å; H56-C310 PolarHBondContact NE2-SG 3.39Å; H56-C310 VanDerWaalsContact NE2-SG 3.39Å
57	L	93.4	Very high	84.9	Confident	56 Å²	56	54.7 Å²	54.7	29%	0.293	34%	0.336	S	S	.	.	S	Bend	trans	-115.1	162	-176.2	-69.1	170.9	0	0	0	112	V52 P54 R218 L236 R278	V52-L57 HydrophobicContact CG1-CG 4.38Å; P54-L57 PolarHBondContact O-N 3.05Å; L57-R218 VanDerWaalsContact O-CD 3.24Å; L57-R218 WeakPolarHBondContact O-CD 3.19Å; L57-R218 PolarHBondContact O-NH1 2.89Å; L57-L236 HydrophobicContact CD2-CD2 4.34Å; L57-R278 PolarHBondContact O-NH2 3.25Å
58	F	93.8	Very high	86.9	Confident	3 Å²	3	51.2 Å²	51.2	1%	0.013	31%	0.314	C	S	.	.			trans	-93.1	94.5	158.6	-73.8	-104.7	0	0	0	107.3	D63 V64 F67 V217 R218 L236 Q239 L240	F58-D63 HydrophobicContact CD1-CB 4.07Å; F58-V64 HydrophobicContact CB-CG2 3.71Å; F58-V64 HydrophobicContact CD1-CG2 4.14Å; F58-V64 HydrophobicContact CG-CG2 4.23Å; F58-F67 HydrophobicContact CE1-CB 4.1Å; F58-F67 AromaticContact CE1-CD2 3.94Å; F58-F67 HydrophobicContact CE1-CD2 3.94Å; F58-F67 HydrophobicContact CE1-CG 4.12Å; F58-F67 AromaticContact CZ-CD2 3.85Å; F58-F67 HydrophobicContact CZ-CD2 3.85Å; F58-F67 HydrophobicContact CZ-CE2 4.19Å; F58-F67 HydrophobicContact CZ-CG 4.26Å; F58-V217 HydrophobicContact CE2-CG1 4.18Å; F58-V217 HydrophobicContact CZ-CG1 3.62Å; F58-R218 HydrophobicContact CD2-CG 3.95Å; F58-R218 HydrophobicContact CE2-CG 3.56Å; F58-R218 HydrophobicContact CZ-CG 4.41Å; F58-L236 HydrophobicContact CD2-CD2 4.09Å; F58-Q239 PolarHBondContact O-NE2 3.21Å; F58-L240 HydrophobicContact CD1-CD2 3.82Å; F58-L240 HydrophobicContact CD2-CD1 4.25Å; F58-L240 HydrophobicContact CD2-CD2 3.98Å; F58-L240 HydrophobicContact CD2-CG 4.31Å; F58-L240 HydrophobicContact CE1-CD2 3.71Å; F58-L240 HydrophobicContact CE2-CD1 3.65Å; F58-L240 HydrophobicContact CE2-CD2 3.89Å; F58-L240 HydrophobicContact CE2-CG 4.15Å; F58-L240 HydrophobicContact CG-CD2 3.96Å; F58-L240 HydrophobicContact CZ-CD1 3.89Å; F58-L240 HydrophobicContact CZ-CD2 3.73Å; F58-L240 HydrophobicContact CZ-CG 4.37Å
59	S	88.7	Confident	88.8	Confident	87 Å²	87	51.9 Å²	51.9	61%	0.608	32%	0.324	S	S	*	.			trans	-85.8	-21.1	-175.4	-49.9	0	0	0	0	113.3
60	D	92	Very high	90.6	Very high	93 Å²	93	50.2 Å²	50.2	50%	0.497	32%	0.319	S	S	.	.			trans	-107.9	136.7	179.7	-175.4	-4.5	0	0	0	110.4	A62 D63 V64	D60-A62 VanDerWaalsContact C-N 3.28Å; D60-A62 WeakPolarHBondContact OD1-CB 3.35Å; D60-A62 PolarHBondContact OD1-N 3.37Å; D60-D63 HydrophobicContact CB-CB 4.2Å; D60-D63 VanDerWaalsContact O-CB 3.25Å; D60-D63 WeakPolarHBondContact O-CB 3.42Å; D60-D63 PolarHBondContact O-N 3.38Å; D60-V64 PolarHBondContact O-N 2.94Å
61	V	94.6	Very high	92.6	Very high	110 Å²	110	46 Å²	46	67%	0.667	28%	0.284	S	S	*	.	H	α-helix	trans	-68.1	-29.1	176.3	-179.3	0	0	0	0	111	V64 T65	V61-V64 PolarHBondContact O-N 2.98Å; V61-T65 WeakPolarHBondContact O-CB 3.47Å; V61-T65 PolarHBondContact O-N 3.08Å; V61-T65 PolarHBondContact O-OG1 2.9Å
62	A	96.4	Very high	94	Very high	58 Å²	58	44.2 Å²	44.2	48%	0.479	27%	0.27	S	S	.	.	H	α-helix	trans	-63	-42.7	173.1	0	0	0	0	0	111.3	D60 V64 T65 A66	D60-A62 VanDerWaalsContact C-N 3.28Å; D60-A62 WeakPolarHBondContact OD1-CB 3.35Å; D60-A62 PolarHBondContact OD1-N 3.37Å; A62-V64 VanDerWaalsContact C-N 3.35Å; A62-V64 PolarHBondContact O-N 3.29Å; A62-T65 PolarHBondContact O-N 3.44Å; A62-A66 WeakPolarHBondContact O-CB 3.41Å; A62-A66 PolarHBondContact O-N 3.49Å
63	D	96.3	Very high	94.9	Very high	44 Å²	44	46.3 Å²	46.3	24%	0.235	29%	0.286	C	S	.	.	H	α-helix	trans	-57.8	-45	175.2	-128.6	44.4	0	0	0	111.2	F58 D60 F67 R218 L276	F58-D63 HydrophobicContact CD1-CB 4.07Å; D60-D63 HydrophobicContact CB-CB 4.2Å; D60-D63 VanDerWaalsContact O-CB 3.25Å; D60-D63 WeakPolarHBondContact O-CB 3.42Å; D60-D63 PolarHBondContact O-N 3.38Å; D63-F67 WeakPolarHBondContact O-CB 3.27Å; D63-F67 PolarHBondContact O-N 3.02Å; D63-R218 IonicContact OD2-CZ 2.73Å; D63-R218 IonicContact OD2-NH1 2.86Å; D63-R218 PolarHBondContact OD2-NH1 3.38Å; D63-R218 IonicContact OD2-NH2 2.69Å; D63-R218 PolarHBondContact OD2-NH2 2.9Å; D63-L276 WeakPolarHBondContact OD1-CD2 3.41Å
64	V	98.1	Very high	95.6	Very high	9 Å²	9	46.7 Å²	46.7	6%	0.055	28%	0.283	C	S	.	.	H	α-helix	trans	-66	-43.4	176.2	175.2	0	0	0	0	111.7	F58 D60 V61 A62 F67 R68 L240	F58-V64 HydrophobicContact CB-CG2 3.71Å; F58-V64 HydrophobicContact CD1-CG2 4.14Å; F58-V64 HydrophobicContact CG-CG2 4.23Å; D60-V64 PolarHBondContact O-N 2.94Å; V61-V64 PolarHBondContact O-N 2.98Å; A62-V64 VanDerWaalsContact C-N 3.35Å; A62-V64 PolarHBondContact O-N 3.29Å; V64-F67 PolarHBondContact O-N 3.15Å; V64-R68 WeakPolarHBondContact O-CG 3.47Å; V64-R68 PolarHBondContact O-N 3.47Å; V64-L240 HydrophobicContact CG1-CD2 4.27Å; V64-L240 HydrophobicContact CG2-CD2 4.26Å
65	T	98.1	Very high	96.2	Very high	77 Å²	77	42.8 Å²	42.8	47%	0.472	26%	0.258	S	S	.	.	H	α-helix	trans	-67.6	-44.1	-177.9	-55.8	0	0	0	0	111.3	V61 A62 R68 S69	V61-T65 WeakPolarHBondContact O-CB 3.47Å; V61-T65 PolarHBondContact O-N 3.08Å; V61-T65 PolarHBondContact O-OG1 2.9Å; A62-T65 PolarHBondContact O-N 3.44Å; T65-R68 PolarHBondContact O-N 2.91Å; T65-S69 WeakPolarHBondContact O-CB 3.22Å; T65-S69 PolarHBondContact O-N 3.13Å
66	A	98.1	Very high	96.6	Very high	37 Å²	37	44.8 Å²	44.8	31%	0.306	27%	0.27	S	S	.	.	H	α-helix	trans	-62.5	-41.5	173.2	0	0	0	0	0	111.7	A62 S69 N70 L276	A62-A66 WeakPolarHBondContact O-CB 3.41Å; A62-A66 PolarHBondContact O-N 3.49Å; A66-S69 PolarHBondContact O-N 2.86Å; A66-N70 WeakPolarHBondContact O-CB 3.37Å; A66-N70 VanDerWaalsContact O-CG 3.26Å; A66-N70 PolarHBondContact O-N 2.9Å; A66-N70 PolarHBondContact O-OD1 2.83Å; A66-L276 HydrophobicContact CB-CD1 4.14Å
67	F	98.5	Very high	96.8	Very high	3 Å²	3	51.4 Å²	51.4	1%	0.013	30%	0.301	C	S	.	.	H	α-helix	trans	-60	-48.2	176.9	-168.2	-87	0	0	0	111.9	F58 D63 V64 L71 V217 L240 F249 V273 L276	F58-F67 HydrophobicContact CE1-CB 4.1Å; F58-F67 AromaticContact CE1-CD2 3.94Å; F58-F67 HydrophobicContact CE1-CD2 3.94Å; F58-F67 HydrophobicContact CE1-CG 4.12Å; F58-F67 AromaticContact CZ-CD2 3.85Å; F58-F67 HydrophobicContact CZ-CD2 3.85Å; F58-F67 HydrophobicContact CZ-CE2 4.19Å; F58-F67 HydrophobicContact CZ-CG 4.26Å; D63-F67 WeakPolarHBondContact O-CB 3.27Å; D63-F67 PolarHBondContact O-N 3.02Å; V64-F67 PolarHBondContact O-N 3.15Å; F67-L71 HydrophobicContact CD1-CD2 4.41Å; F67-L71 HydrophobicContact CE1-CD2 3.74Å; F67-L71 HydrophobicContact CZ-CD2 4.4Å; F67-L71 WeakPolarHBondContact O-CB 3.28Å; F67-L71 PolarHBondContact O-N 2.9Å; F67-L71 VanDerWaalsContact O-N 3.09Å; F67-V217 HydrophobicContact CD2-CG1 4.43Å; F67-V217 HydrophobicContact CE2-CG1 3.92Å; F67-V217 HydrophobicContact CE2-CG2 4.17Å; F67-L240 HydrophobicContact CB-CD2 4.29Å; F67-L240 HydrophobicContact CD1-CD1 4.26Å; F67-L240 HydrophobicContact CD1-CD2 3.94Å; F67-L240 HydrophobicContact CE1-CD1 4.07Å; F67-L240 HydrophobicContact CG-CD2 4.14Å; F67-L240 HydrophobicContact CZ-CD1 4.46Å; F67-F249 HydrophobicContact CD1-CE2 4.11Å; F67-F249 HydrophobicContact CD1-CZ 4.08Å; F67-F249 HydrophobicContact CE1-CE2 4.24Å; F67-F249 AromaticContact CE1-CZ 3.89Å; F67-F249 HydrophobicContact CE1-CZ 3.89Å; F67-V273 HydrophobicContact CD2-CB 3.93Å; F67-V273 HydrophobicContact CD2-CG1 3.69Å; F67-V273 HydrophobicContact CE2-CB 3.72Å; F67-V273 HydrophobicContact CE2-CG1 3.67Å; F67-V273 HydrophobicContact CE2-CG2 3.84Å; F67-V273 HydrophobicContact CG-CG1 4.22Å; F67-V273 HydrophobicContact CZ-CG1 4.19Å; F67-V273 HydrophobicContact CZ-CG2 4.39Å; F67-L276 HydrophobicContact CB-CD1 3.71Å; F67-L276 HydrophobicContact CD2-CD1 3.96Å; F67-L276 HydrophobicContact CG-CD1 4.34Å
68	R	98.7	Very high	97	Very high	50 Å²	50	52.1 Å²	52.1	19%	0.189	30%	0.303	C	S	.	.	H	α-helix	trans	-59.3	-53.2	176.6	-74.3	167.6	173.3	159.7	-2.1	111.8	V64 T65 L71 L72 Q239 L240 V241 D242 F249	V64-R68 WeakPolarHBondContact O-CG 3.47Å; V64-R68 PolarHBondContact O-N 3.47Å; T65-R68 PolarHBondContact O-N 2.91Å; R68-L71 PolarHBondContact O-N 3.01Å; R68-L72 WeakPolarHBondContact O-CB 3.46Å; R68-L72 WeakPolarHBondContact O-CG 3.37Å; R68-L72 PolarHBondContact O-N 3.12Å; R68-Q239 PolarHBondContact NH2-O 3.34Å; R68-L240 WeakPolarHBondContact CG-O 3.21Å; R68-L240 PolarHBondContact NE-O 3.06Å; R68-V241 PolarHBondContact NE-O 2.93Å; R68-V241 PolarHBondContact NH2-O 2.82Å; R68-D242 WeakPolarHBondContact CD-OD2 3.46Å; R68-D242 HydrophobicContact CG-CB 4.3Å; R68-F249 HydrophobicContact CB-CE2 4.5Å; R68-F249 HydrophobicContact CG-CD2 4.17Å; R68-F249 HydrophobicContact CG-CE2 3.87Å
69	S	98.5	Very high	97.2	Very high	75 Å²	75	55.5 Å²	55.5	52%	0.524	32%	0.318	S	S	.	.	H	α-helix	trans	-59.9	-51.4	-176.5	-173.2	0	0	0	0	112	T65 A66 L71 L72 S73	T65-S69 WeakPolarHBondContact O-CB 3.22Å; T65-S69 PolarHBondContact O-N 3.13Å; A66-S69 PolarHBondContact O-N 2.86Å; S69-L71 PolarHBondContact O-N 2.7Å; S69-L72 PolarHBondContact O-N 3.02Å; S69-S73 VanDerWaalsContact O-CB 3.24Å; S69-S73 WeakPolarHBondContact O-CB 3.16Å; S69-S73 PolarHBondContact O-N 3.41Å
70	N	98.6	Very high	97.5	Very high	59 Å²	59	54.9 Å²	54.9	32%	0.316	30%	0.302	S	S	.	.	H	α-helix	trans	-62.9	-42.3	-179.4	-69.5	15	0	0	0	112	A66 W74 P272 V273	A66-N70 WeakPolarHBondContact O-CB 3.37Å; A66-N70 VanDerWaalsContact O-CG 3.26Å; A66-N70 PolarHBondContact O-N 2.9Å; A66-N70 PolarHBondContact O-OD1 2.83Å; N70-W74 WeakPolarHBondContact O-CB 3.44Å; N70-W74 PolarHBondContact O-N 2.94Å; N70-W74 VanDerWaalsContact O-N 3.11Å; N70-P272 HydrophobicContact CB-CB 4.33Å; N70-P272 WeakPolarHBondContact CB-O 3.26Å; N70-P272 PolarHBondContact ND2-O 3.47Å; N70-V273 HydrophobicContact CB-CG1 4.36Å
71	L	98.7	Very high	97.7	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-68.2	-43.9	-178.3	-177.8	61	0	0	0	112.1	F67 R68 S69 W74 Y75 F249 A252 A253 L256 V273	F67-L71 HydrophobicContact CD1-CD2 4.41Å; F67-L71 HydrophobicContact CE1-CD2 3.74Å; F67-L71 HydrophobicContact CZ-CD2 4.4Å; F67-L71 WeakPolarHBondContact O-CB 3.28Å; F67-L71 PolarHBondContact O-N 2.9Å; F67-L71 VanDerWaalsContact O-N 3.09Å; R68-L71 PolarHBondContact O-N 3.01Å; S69-L71 PolarHBondContact O-N 2.7Å; L71-W74 HydrophobicContact CD1-CE3 4.06Å; L71-W74 HydrophobicContact CD1-CZ3 4.33Å; L71-Y75 VanDerWaalsContact O-CB 3.32Å; L71-Y75 WeakPolarHBondContact O-CB 3.17Å; L71-Y75 PolarHBondContact O-N 3.42Å; L71-F249 HydrophobicContact CD2-CD2 4.24Å; L71-F249 HydrophobicContact CD2-CE2 3.79Å; L71-F249 HydrophobicContact CD2-CZ 3.98Å; L71-A252 HydrophobicContact CD1-CB 4.05Å; L71-A252 HydrophobicContact CD2-CB 4.21Å; L71-A252 HydrophobicContact CG-CB 3.73Å; L71-A253 HydrophobicContact CD2-CB 4.17Å; L71-L256 HydrophobicContact CD1-CB 4.01Å; L71-L256 HydrophobicContact CD1-CD2 3.97Å; L71-L256 HydrophobicContact CD1-CG 4.43Å; L71-V273 HydrophobicContact CB-CG1 4.32Å
72	L	98.8	Very high	97.9	Very high	13 Å²	13	51.5 Å²	51.5	7%	0.068	28%	0.28	C	S	.	.	H	α-helix	trans	-69.1	-43.5	178.2	-72.6	171.2	0	0	0	111.9	R68 S69 W74 Y75 D76 D242 R245 D248 F249	R68-L72 WeakPolarHBondContact O-CB 3.46Å; R68-L72 WeakPolarHBondContact O-CG 3.37Å; R68-L72 PolarHBondContact O-N 3.12Å; S69-L72 PolarHBondContact O-N 3.02Å; L72-W74 VanDerWaalsContact C-N 3.34Å; L72-W74 PolarHBondContact O-N 3.16Å; L72-Y75 PolarHBondContact O-N 2.87Å; L72-Y75 VanDerWaalsContact O-N 3.16Å; L72-D76 PolarHBondContact O-N 3.07Å; L72-D242 HydrophobicContact CD1-CB 4.04Å; L72-R245 HydrophobicContact CD1-CB 4.37Å; L72-R245 HydrophobicContact CD2-CB 4.43Å; L72-D248 HydrophobicContact CD2-CB 3.96Å; L72-F249 HydrophobicContact CD2-CB 4.2Å
73	S	98.6	Very high	97.9	Very high	63 Å²	63	50.7 Å²	50.7	44%	0.441	27%	0.27	S	S	.	.	H	α-helix	trans	-60.4	-42.7	177.8	-174.9	0	0	0	0	112.2	S69 Q77	S69-S73 VanDerWaalsContact O-CB 3.24Å; S69-S73 WeakPolarHBondContact O-CB 3.16Å; S69-S73 PolarHBondContact O-N 3.41Å; S73-Q77 PolarHBondContact O-NE2 2.7Å
74	W	98.7	Very high	98	Very high	31 Å²	31	49.3 Å²	49.3	12%	0.117	26%	0.262	C	S	.	.	H	α-helix	trans	-64	-44.6	172.3	168.2	82.9	0	0	0	112.3	N70 L71 L72 D76 Q77 E78 E255 L256 V260 P272	N70-W74 WeakPolarHBondContact O-CB 3.44Å; N70-W74 PolarHBondContact O-N 2.94Å; N70-W74 VanDerWaalsContact O-N 3.11Å; L71-W74 HydrophobicContact CD1-CE3 4.06Å; L71-W74 HydrophobicContact CD1-CZ3 4.33Å; L72-W74 VanDerWaalsContact C-N 3.34Å; L72-W74 PolarHBondContact O-N 3.16Å; W74-D76 VanDerWaalsContact C-N 3.31Å; W74-D76 PolarHBondContact O-N 2.86Å; W74-Q77 PolarHBondContact O-N 2.7Å; W74-Q77 VanDerWaalsContact O-N 3.14Å; W74-E78 HydrophobicContact CD2-CB 4.43Å; W74-E78 HydrophobicContact CG-CG 4.37Å; W74-E78 HydrophobicContact CZ2-CB 4.17Å; W74-E78 WeakPolarHBondContact O-CB 3.34Å; W74-E78 PolarHBondContact O-N 3.45Å; W74-E255 HydrophobicContact CH2-CB 3.94Å; W74-E255 HydrophobicContact CH2-CG 3.75Å; W74-E255 HydrophobicContact CZ3-CB 4.06Å; W74-E255 HydrophobicContact CZ3-CG 4.24Å; W74-L256 VanDerWaalsContact CH2-CA 3.49Å; W74-L256 HydrophobicContact CH2-CB 4.05Å; W74-L256 HydrophobicContact CH2-CD1 4.34Å; W74-L256 HydrophobicContact CZ2-CD1 4.44Å; W74-L256 HydrophobicContact CZ3-CB 3.88Å; W74-L256 HydrophobicContact CZ3-CD1 4.4Å; W74-V260 HydrophobicContact CZ2-CG2 3.71Å; W74-P272 HydrophobicContact CB-CB 3.64Å; W74-P272 HydrophobicContact CB-CG 3.7Å; W74-P272 HydrophobicContact CD2-CG 3.88Å; W74-P272 HydrophobicContact CE3-CG 4.34Å; W74-P272 HydrophobicContact CG-CB 3.96Å; W74-P272 HydrophobicContact CG-CG 3.56Å
75	Y	98.6	Very high	98	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.008	26%	0.264	C	S	.	.	H	α-helix	trans	-63.1	-37.4	-179.6	-179.2	-111.7	0	0	0	112.2	L71 L72 Q77 K79 R85 D248 Q251 A252 E255	L71-Y75 VanDerWaalsContact O-CB 3.32Å; L71-Y75 WeakPolarHBondContact O-CB 3.17Å; L71-Y75 PolarHBondContact O-N 3.42Å; L72-Y75 PolarHBondContact O-N 2.87Å; L72-Y75 VanDerWaalsContact O-N 3.16Å; Y75-Q77 PolarHBondContact O-N 3.28Å; Y75-K79 HydrophobicContact CD1-CD 3.86Å; Y75-K79 HydrophobicContact CD2-CB 3.58Å; Y75-K79 HydrophobicContact CD2-CD 4.37Å; Y75-K79 HydrophobicContact CE1-CB 4.41Å; Y75-K79 HydrophobicContact CE1-CD 3.56Å; Y75-K79 HydrophobicContact CE2-CB 3.39Å; Y75-K79 HydrophobicContact CE2-CD 4.11Å; Y75-K79 HydrophobicContact CE2-CG 4.4Å; Y75-K79 HydrophobicContact CG-CB 4.17Å; Y75-K79 HydrophobicContact CG-CD 4.25Å; Y75-K79 WeakPolarHBondContact O-CB 3.34Å; Y75-K79 WeakPolarHBondContact O-CD 3.28Å; Y75-K79 WeakPolarHBondContact O-CG 3.4Å; Y75-K79 PolarHBondContact O-N 2.93Å; Y75-R85 PolarHBondContact OH-NE 3.23Å; Y75-R85 VanDerWaalsContact OH-NE 3.12Å; Y75-D248 HydrophobicContact CD1-CB 4.31Å; Y75-D248 HydrophobicContact CE1-CB 4.09Å; Y75-D248 WeakPolarHBondContact CE1-OD1 3.24Å; Y75-Q251 HydrophobicContact CE1-CB 4.36Å; Y75-Q251 HydrophobicContact CE2-CB 4.13Å; Y75-Q251 VanDerWaalsContact OH-CB 3.24Å; Y75-Q251 WeakPolarHBondContact OH-CB 3.38Å; Y75-Q251 PolarHBondContact OH-OE1 3.48Å; Y75-A252 VanDerWaalsContact CB-CB 3.48Å; Y75-A252 HydrophobicContact CD1-CB 4.01Å; Y75-A252 VanDerWaalsContact CD2-CA 3.47Å; Y75-A252 HydrophobicContact CD2-CB 3.72Å; Y75-A252 HydrophobicContact CE2-CB 4.45Å; Y75-A252 HydrophobicContact CG-CB 3.47Å; Y75-A252 VanDerWaalsContact CG-CB 3.47Å; Y75-E255 HydrophobicContact CD2-CB 4.09Å; Y75-E255 HydrophobicContact CD2-CG 4.32Å; Y75-E255 HydrophobicContact CE2-CB 4.07Å; Y75-E255 HydrophobicContact CE2-CG 4.32Å
76	D	98.2	Very high	97.9	Very high	70 Å²	70	49.1 Å²	49.1	37%	0.374	26%	0.256	S	S	.	.	H	α-helix	trans	-66.4	-21.7	177.1	-72.7	-34	0	0	0	114.2	L72 W74 K79 R245	L72-D76 PolarHBondContact O-N 3.07Å; W74-D76 VanDerWaalsContact C-N 3.31Å; W74-D76 PolarHBondContact O-N 2.86Å; D76-K79 IonicContact OD1-NZ 3.23Å; D76-K79 PolarHBondContact OD1-NZ 2.64Å; D76-R245 VanDerWaalsContact CG-NH2 3.28Å; D76-R245 IonicContact OD1-CZ 2.84Å; D76-R245 IonicContact OD1-NH2 3.19Å; D76-R245 PolarHBondContact OD1-NH2 3.09Å; D76-R245 IonicContact OD2-CZ 3.41Å; D76-R245 VanDerWaalsContact OD2-CZ 3.28Å; D76-R245 IonicContact OD2-NH1 2.67Å; D76-R245 PolarHBondContact OD2-NH1 3.46Å; D76-R245 IonicContact OD2-NH2 3.98Å; D76-R245 PolarHBondContact OD2-NH2 2.95Å
77	Q	97.9	Very high	97.8	Very high	139 Å²	139	49.6 Å²	49.6	65%	0.65	25%	0.253	S	S	*	.	H	α-helix	trans	-94.7	-42.4	176.3	-63.2	172.2	37.9	0	0	112.5	S73 W74 Y75	S73-Q77 PolarHBondContact O-NE2 2.7Å; W74-Q77 PolarHBondContact O-N 2.7Å; W74-Q77 VanDerWaalsContact O-N 3.14Å; Y75-Q77 PolarHBondContact O-N 3.28Å
78	E	97.6	Very high	97.7	Very high	72 Å²	72	49.9 Å²	49.9	34%	0.336	26%	0.256	S	S	.	.	H	α-helix	trans	-108.8	-1.5	-166.2	-57	-58.3	114.6	0	0	115	W74 R80 R503	W74-E78 HydrophobicContact CD2-CB 4.43Å; W74-E78 HydrophobicContact CG-CG 4.37Å; W74-E78 HydrophobicContact CZ2-CB 4.17Å; W74-E78 WeakPolarHBondContact O-CB 3.34Å; W74-E78 PolarHBondContact O-N 3.45Å; E78-R80 PolarHBondContact O-N 3.07Å; E78-R503 IonicContact OE1-CZ 3.49Å; E78-R503 IonicContact OE1-NH2 3.34Å; E78-R503 PolarHBondContact OE1-NH2 3.32Å; E78-R503 IonicContact OE2-CZ 2.92Å; E78-R503 IonicContact OE2-NE 3.05Å; E78-R503 IonicContact OE2-NH2 2.74Å; E78-R503 PolarHBondContact OE2-NH2 2.86Å
79	K	96.9	Very high	97.5	Very high	73 Å²	73	55.9 Å²	55.9	32%	0.317	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-60.9	128.3	178.7	62.7	-163.5	164.5	-160.8	0	111.2	Y75 D76 D81	Y75-K79 HydrophobicContact CD1-CD 3.86Å; Y75-K79 HydrophobicContact CD2-CB 3.58Å; Y75-K79 HydrophobicContact CD2-CD 4.37Å; Y75-K79 HydrophobicContact CE1-CB 4.41Å; Y75-K79 HydrophobicContact CE1-CD 3.56Å; Y75-K79 HydrophobicContact CE2-CB 3.39Å; Y75-K79 HydrophobicContact CE2-CD 4.11Å; Y75-K79 HydrophobicContact CE2-CG 4.4Å; Y75-K79 HydrophobicContact CG-CB 4.17Å; Y75-K79 HydrophobicContact CG-CD 4.25Å; Y75-K79 WeakPolarHBondContact O-CB 3.34Å; Y75-K79 WeakPolarHBondContact O-CD 3.28Å; Y75-K79 WeakPolarHBondContact O-CG 3.4Å; Y75-K79 PolarHBondContact O-N 2.93Å; D76-K79 IonicContact OD1-NZ 3.23Å; D76-K79 PolarHBondContact OD1-NZ 2.64Å; K79-D81 PolarHBondContact O-N 3.15Å
80	R	96.8	Very high	97.4	Very high	75 Å²	75	59.4 Å²	59.4	28%	0.283	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-62.3	136	173.4	-65.3	169.5	-65.4	165.8	2.3	110	E78 L82 R85 E255	E78-R80 PolarHBondContact O-N 3.07Å; R80-L82 HydrophobicContact CB-CD1 4.46Å; R80-L82 HydrophobicContact CB-CG 4.2Å; R80-L82 PolarHBondContact O-N 2.77Å; R80-R85 PolarHBondContact O-NH1 3.08Å; R80-E255 WeakPolarHBondContact CB-OE1 3.49Å; R80-E255 WeakPolarHBondContact CG-OE1 3.27Å; R80-E255 IonicContact CZ-OE1 2.68Å; R80-E255 IonicContact CZ-OE2 2.68Å; R80-E255 PolarHBondContact N-OE1 3.31Å; R80-E255 IonicContact NE-OE1 2.83Å; R80-E255 PolarHBondContact NE-OE1 2.9Å; R80-E255 IonicContact NE-OE2 3.82Å; R80-E255 PolarHBondContact NE-OE2 2.92Å; R80-E255 IonicContact NH2-OE1 3.65Å; R80-E255 IonicContact NH2-OE2 2.77Å; R80-E255 PolarHBondContact NH2-OE2 2.89Å
81	D	96.1	Very high	97.3	Very high	126 Å²	126	58.6 Å²	58.6	67%	0.674	29%	0.286	S	S	*	.	P	Polyproline II helix	trans	-64.4	122.6	167.2	-175.6	22.9	0	0	0	109.6	K79 N86	K79-D81 PolarHBondContact O-N 3.15Å; D81-N86 PolarHBondContact OD1-ND2 2.84Å; D81-N86 PolarHBondContact OD1-OD1 2.91Å
82	L	97.6	Very high	97.2	Very high	6 Å²	6	62.9 Å²	62.9	3%	0.031	32%	0.321	C	S	.	.			trans	-144.8	134.4	-172.7	-66.5	174	0	0	0	109.8	R80 W84 R85 N86 V113 I117	R80-L82 HydrophobicContact CB-CD1 4.46Å; R80-L82 HydrophobicContact CB-CG 4.2Å; R80-L82 PolarHBondContact O-N 2.77Å; L82-W84 VanDerWaalsContact C-N 3.25Å; L82-W84 HydrophobicContact CB-CD2 4.25Å; L82-W84 HydrophobicContact CB-CZ2 4.17Å; L82-W84 HydrophobicContact CD1-CZ2 3.76Å; L82-W84 HydrophobicContact CD2-CH2 4.21Å; L82-W84 HydrophobicContact CD2-CZ2 4.04Å; L82-W84 HydrophobicContact CG-CZ2 4.22Å; L82-W84 PolarHBondContact O-N 3.22Å; L82-R85 HydrophobicContact CB-CB 4.34Å; L82-R85 HydrophobicContact CB-CG 4.08Å; L82-R85 WeakPolarHBondContact O-CB 3.49Å; L82-R85 PolarHBondContact O-N 3.3Å; L82-N86 PolarHBondContact O-N 2.95Å; L82-V113 HydrophobicContact CD1-CG1 4.31Å; L82-V113 HydrophobicContact CD2-CG1 3.57Å; L82-I117 HydrophobicContact CD2-CD1 4.16Å; L82-I117 HydrophobicContact CD2-CG1 4.45Å
83	P	97.7	Very high	97.1	Very high	41 Å²	41	65.6 Å²	65.6	27%	0.266	34%	0.335	S	S	.	.	H	α-helix	trans	-55.8	-34.9	-172.3	-28.8	35.1	0	0	0	115	L87 I117 Y120	P83-L87 VanDerWaalsContact O-CB 3.32Å; P83-L87 WeakPolarHBondContact O-CB 3.29Å; P83-L87 PolarHBondContact O-N 2.89Å; P83-L87 VanDerWaalsContact O-N 3.11Å; P83-I117 HydrophobicContact CG-CG2 4.2Å; P83-Y120 HydrophobicContact CB-CD1 3.79Å; P83-Y120 HydrophobicContact CB-CE1 3.87Å
84	W	97.9	Very high	97	Very high	14 Å²	14	64.6 Å²	64.6	5%	0.053	33%	0.329	C	S	.	.	H	α-helix	trans	-75.4	-28.4	177.2	52.1	90	0	0	0	113.8	L82 A88 S104 L108 V113 V116 I117 Y120	L82-W84 VanDerWaalsContact C-N 3.25Å; L82-W84 HydrophobicContact CB-CD2 4.25Å; L82-W84 HydrophobicContact CB-CZ2 4.17Å; L82-W84 HydrophobicContact CD1-CZ2 3.76Å; L82-W84 HydrophobicContact CD2-CH2 4.21Å; L82-W84 HydrophobicContact CD2-CZ2 4.04Å; L82-W84 HydrophobicContact CG-CZ2 4.22Å; L82-W84 PolarHBondContact O-N 3.22Å; W84-A88 WeakPolarHBondContact O-CB 3.44Å; W84-A88 PolarHBondContact O-N 3.04Å; W84-S104 VanDerWaalsContact CB-CB 3.46Å; W84-S104 VanDerWaalsContact CG-CB 3.49Å; W84-L108 HydrophobicContact CH2-CD2 4.25Å; W84-L108 HydrophobicContact CZ2-CD1 3.95Å; W84-L108 HydrophobicContact CZ2-CD2 4.01Å; W84-L108 HydrophobicContact CZ2-CG 4.43Å; W84-V113 HydrophobicContact CH2-CG1 3.96Å; W84-V113 HydrophobicContact CZ2-CG1 3.99Å; W84-V116 HydrophobicContact CE3-CG1 4.47Å; W84-V116 HydrophobicContact CH2-CB 4.16Å; W84-V116 HydrophobicContact CH2-CG1 3.99Å; W84-V116 HydrophobicContact CZ3-CB 4.28Å; W84-V116 HydrophobicContact CZ3-CG1 3.74Å; W84-I117 HydrophobicContact CH2-CG1 4.01Å; W84-I117 HydrophobicContact CZ3-CG1 3.99Å; W84-Y120 WeakPolarHBondContact CA-OH 3.49Å; W84-Y120 HydrophobicContact CB-CD1 4.5Å; W84-Y120 HydrophobicContact CB-CD2 4.42Å; W84-Y120 HydrophobicContact CB-CE1 3.91Å; W84-Y120 HydrophobicContact CB-CE2 3.83Å; W84-Y120 AromaticContact CE3-CD1 3.99Å; W84-Y120 HydrophobicContact CE3-CD1 3.99Å; W84-Y120 HydrophobicContact CE3-CD2 4.32Å; W84-Y120 HydrophobicContact CE3-CE1 4.49Å; W84-Y120 AromaticContact CE3-CG 3.88Å; W84-Y120 HydrophobicContact CE3-CG 3.88Å
85	R	97.6	Very high	96.9	Very high	28 Å²	28	64 Å²	64	11%	0.106	33%	0.327	C	S	.	.	H	α-helix	trans	-68.5	-45.7	173.5	-71.4	-173.4	169.1	147.9	1.4	111	Y75 R80 L82 A88 K89 E255	Y75-R85 PolarHBondContact OH-NE 3.23Å; Y75-R85 VanDerWaalsContact OH-NE 3.12Å; R80-R85 PolarHBondContact O-NH1 3.08Å; L82-R85 HydrophobicContact CB-CB 4.34Å; L82-R85 HydrophobicContact CB-CG 4.08Å; L82-R85 WeakPolarHBondContact O-CB 3.49Å; L82-R85 PolarHBondContact O-N 3.3Å; R85-A88 PolarHBondContact O-N 3.03Å; R85-K89 WeakPolarHBondContact O-CB 3.29Å; R85-K89 PolarHBondContact O-N 3.47Å; R85-E255 IonicContact CZ-OE1 3.85Å; R85-E255 IonicContact CZ-OE2 2.71Å; R85-E255 VanDerWaalsContact NH1-CD 3.28Å; R85-E255 IonicContact NH1-OE1 2.97Å; R85-E255 PolarHBondContact NH1-OE1 3.02Å; R85-E255 IonicContact NH1-OE2 3.28Å; R85-E255 PolarHBondContact NH1-OE2 2.76Å; R85-E255 VanDerWaalsContact NH2-CD 3.26Å; R85-E255 IonicContact NH2-OE1 3.28Å; R85-E255 IonicContact NH2-OE2 3.82Å; R85-E255 PolarHBondContact NH2-OE2 2.65Å
86	N	96.1	Very high	96.9	Very high	55 Å²	55	68.7 Å²	68.7	29%	0.294	35%	0.345	S	S	.	.	H	α-helix	trans	-65.9	-50.3	-179.2	-60.5	-6.1	0	0	0	110.3	D81 L82 A88 K89 E90	D81-N86 PolarHBondContact OD1-ND2 2.84Å; D81-N86 PolarHBondContact OD1-OD1 2.91Å; L82-N86 PolarHBondContact O-N 2.95Å; N86-A88 VanDerWaalsContact C-N 3.32Å; N86-A88 PolarHBondContact O-N 2.91Å; N86-K89 PolarHBondContact O-N 3.18Å; N86-E90 WeakPolarHBondContact O-CB 3.33Å; N86-E90 VanDerWaalsContact O-CG 3.29Å; N86-E90 WeakPolarHBondContact O-CG 3.49Å; N86-E90 PolarHBondContact O-N 2.8Å
87	L	95.7	Very high	96.9	Very high	47 Å²	47	68 Å²	68	25%	0.246	34%	0.337	C	S	.	.	H	α-helix	trans	-59.1	-43.1	177	-163.6	167.3	0	0	0	111.3	P83 K89 E90 E91 A100 M124	P83-L87 VanDerWaalsContact O-CB 3.32Å; P83-L87 WeakPolarHBondContact O-CB 3.29Å; P83-L87 PolarHBondContact O-N 2.89Å; P83-L87 VanDerWaalsContact O-N 3.11Å; L87-K89 VanDerWaalsContact C-N 3.29Å; L87-K89 PolarHBondContact O-N 3.38Å; L87-E90 PolarHBondContact O-N 2.93Å; L87-E91 HydrophobicContact CD2-CB 3.93Å; L87-E91 HydrophobicContact CD2-CG 4.45Å; L87-E91 WeakPolarHBondContact O-CB 3.24Å; L87-E91 PolarHBondContact O-N 3.22Å; L87-A100 HydrophobicContact CD1-CB 4.34Å; L87-A100 HydrophobicContact CD2-CB 3.38Å; L87-A100 HydrophobicContact CG-CB 4.4Å; L87-M124 HydrophobicContact CD1-CE 4Å; L87-M124 HydrophobicContact CD1-CG 4.49Å
88	A	96	Very high	96.9	Very high	9 Å²	9	61.4 Å²	61.4	7%	0.074	31%	0.306	C	S	.	.	H	α-helix	trans	-62.9	-33.6	177	0	0	0	0	0	113.5	W84 R85 N86 R97 V101 I197	W84-A88 WeakPolarHBondContact O-CB 3.44Å; W84-A88 PolarHBondContact O-N 3.04Å; R85-A88 PolarHBondContact O-N 3.03Å; N86-A88 VanDerWaalsContact C-N 3.32Å; N86-A88 PolarHBondContact O-N 2.91Å; A88-R97 HydrophobicContact CB-CG 4.32Å; A88-R97 VanDerWaalsContact O-CD 3.25Å; A88-R97 WeakPolarHBondContact O-CD 3.27Å; A88-R97 WeakPolarHBondContact O-CG 3.29Å; A88-R97 PolarHBondContact O-NE 3.26Å; A88-R97 VanDerWaalsContact O-NE 3.15Å; A88-V101 HydrophobicContact CB-CG2 3.78Å; A88-I197 HydrophobicContact CB-CG2 4.31Å
89	K	94.9	Very high	96.9	Very high	176 Å²	176	58 Å²	58	77%	0.765	29%	0.29	S	S	*	.	H	α-helix	trans	-77.1	-38.1	177.3	-176.8	-174.8	175.4	-166.2	0	112.9	R85 N86 L87	R85-K89 WeakPolarHBondContact O-CB 3.29Å; R85-K89 PolarHBondContact O-N 3.47Å; N86-K89 PolarHBondContact O-N 3.18Å; L87-K89 VanDerWaalsContact C-N 3.29Å; L87-K89 PolarHBondContact O-N 3.38Å
90	E	95.9	Very high	97	Very high	148 Å²	148	54.5 Å²	54.5	69%	0.692	28%	0.275	S	S	*	.	H	α-helix	trans	-88.3	-30.3	-172.3	-69.4	164.4	-165.4	0	0	113.3	N86 L87 A92	N86-E90 WeakPolarHBondContact O-CB 3.33Å; N86-E90 VanDerWaalsContact O-CG 3.29Å; N86-E90 WeakPolarHBondContact O-CG 3.49Å; N86-E90 PolarHBondContact O-N 2.8Å; L87-E90 PolarHBondContact O-N 2.93Å; E90-A92 PolarHBondContact O-N 3.05Å
91	E	96.7	Very high	97.1	Very high	43 Å²	43	51.1 Å²	51.1	20%	0.201	26%	0.263	C	S	.	.			trans	-72.5	116.3	-178.1	176.9	57.9	-90.7	0	0	111.2	L87 N93 R96 R97	L87-E91 HydrophobicContact CD2-CB 3.93Å; L87-E91 HydrophobicContact CD2-CG 4.45Å; L87-E91 WeakPolarHBondContact O-CB 3.24Å; L87-E91 PolarHBondContact O-N 3.22Å; E91-N93 WeakPolarHBondContact OE1-CB 3.49Å; E91-N93 PolarHBondContact OE1-N 3.3Å; E91-R96 HydrophobicContact CG-CB 3.62Å; E91-R96 WeakPolarHBondContact OE2-CB 3.46Å; E91-R96 WeakPolarHBondContact OE2-CD 3.47Å; E91-R96 IonicContact OE2-NH1 3.84Å; E91-R97 HydrophobicContact CB-CB 4.49Å; E91-R97 HydrophobicContact CG-CB 4.26Å; E91-R97 PolarHBondContact O-NE 3.33Å; E91-R97 PolarHBondContact O-NH2 2.89Å
92	A	96.3	Very high	97.2	Very high	90 Å²	90	45.2 Å²	45.2	74%	0.744	23%	0.231	S	C	*	.			trans	-77	-26.1	-179.6	0	0	0	0	0	112.8	E90 S94	E90-A92 PolarHBondContact O-N 3.05Å; A92-S94 PolarHBondContact O-N 3.4Å
93	N	97.1	Very high	97.2	Very high	69 Å²	69	44.9 Å²	44.9	37%	0.369	23%	0.23	S	C	.	.			trans	-83	114	178.2	-178.5	-84.6	0	0	0	111	E91 D95 R96 R97	E91-N93 WeakPolarHBondContact OE1-CB 3.49Å; E91-N93 PolarHBondContact OE1-N 3.3Å; N93-D95 VanDerWaalsContact C-N 3.3Å; N93-D95 PolarHBondContact O-N 3.09Å; N93-D95 WeakPolarHBondContact OD1-CB 3.32Å; N93-D95 PolarHBondContact OD1-N 3.06Å; N93-R96 HydrophobicContact CB-CB 4.23Å; N93-R96 HydrophobicContact CB-CG 4.23Å; N93-R96 PolarHBondContact O-N 3.43Å; N93-R96 VanDerWaalsContact O-N 3.16Å; N93-R96 WeakPolarHBondContact OD1-CG 3.44Å; N93-R96 PolarHBondContact OD1-N 2.89Å; N93-R97 WeakPolarHBondContact O-CB 3.3Å; N93-R97 PolarHBondContact O-N 3.18Å
94	S	96.6	Very high	97.2	Very high	43 Å²	43	43 Å²	43	30%	0.301	22%	0.217	S	C	.	.	H	α-helix	trans	-62.2	-30.3	-175.6	58.4	0	0	0	0	114.4	A92 A98 F199	A92-S94 PolarHBondContact O-N 3.4Å; S94-A98 VanDerWaalsContact O-CB 3.25Å; S94-A98 WeakPolarHBondContact O-CB 3.42Å; S94-A98 PolarHBondContact O-N 3.34Å; S94-F199 WeakPolarHBondContact O-CE1 3.16Å
95	D	97.4	Very high	97.2	Very high	17 Å²	17	42.8 Å²	42.8	9%	0.091	22%	0.217	C	C	.	.	H	α-helix	trans	-68.6	-42.9	174.4	-74.7	-53.9	0	0	0	112.3	N93 Y99 H171 M172 R174	N93-D95 VanDerWaalsContact C-N 3.3Å; N93-D95 PolarHBondContact O-N 3.09Å; N93-D95 WeakPolarHBondContact OD1-CB 3.32Å; N93-D95 PolarHBondContact OD1-N 3.06Å; D95-Y99 WeakPolarHBondContact O-CB 3.3Å; D95-Y99 PolarHBondContact O-N 2.68Å; D95-H171 WeakPolarHBondContact OD1-CA 3.21Å; D95-H171 IonicContact OD2-CE1 3.45Å; D95-H171 IonicContact OD2-CG 3.68Å; D95-H171 IonicContact OD2-ND1 3.47Å; D95-H171 PolarHBondContact OD2-ND1 3.47Å; D95-M172 WeakPolarHBondContact OD1-CB 3.33Å; D95-M172 PolarHBondContact OD1-N 3.42Å; D95-R174 IonicContact OD1-CZ 3.87Å; D95-R174 VanDerWaalsContact OD1-CZ 3.27Å; D95-R174 IonicContact OD1-NH1 2.7Å; D95-R174 PolarHBondContact OD1-NH1 2.82Å; D95-R174 IonicContact OD1-NH2 2.94Å; D95-R174 PolarHBondContact OD1-NH2 2.93Å; D95-R174 IonicContact OD2-CZ 3.24Å; D95-R174 IonicContact OD2-NH1 3.66Å; D95-R174 IonicContact OD2-NH2 2.95Å; D95-R174 PolarHBondContact OD2-NH2 3.17Å
96	R	97.3	Very high	97.2	Very high	101 Å²	101	42 Å²	42	38%	0.381	22%	0.215	S	C	.	.	H	α-helix	trans	-68.4	-40.3	174.3	-68.5	-178.4	-170.4	-179.8	7.7	112.3	E91 N93 Y99 A100	E91-R96 HydrophobicContact CG-CB 3.62Å; E91-R96 WeakPolarHBondContact OE2-CB 3.46Å; E91-R96 WeakPolarHBondContact OE2-CD 3.47Å; E91-R96 IonicContact OE2-NH1 3.84Å; N93-R96 HydrophobicContact CB-CB 4.23Å; N93-R96 HydrophobicContact CB-CG 4.23Å; N93-R96 PolarHBondContact O-N 3.43Å; N93-R96 VanDerWaalsContact O-N 3.16Å; N93-R96 WeakPolarHBondContact OD1-CG 3.44Å; N93-R96 PolarHBondContact OD1-N 2.89Å; R96-Y99 PolarHBondContact O-N 2.68Å; R96-A100 WeakPolarHBondContact O-CB 3.36Å; R96-A100 PolarHBondContact O-N 2.9Å
97	R	98.1	Very high	97.3	Very high	56 Å²	56	39.4 Å²	39.4	21%	0.211	20%	0.201	C	C	.	.	H	α-helix	trans	-57.1	-50.4	173.5	-172.1	-173.1	-62.7	176.1	-4	110.8	A88 E91 N93 A100 V101 A198	A88-R97 HydrophobicContact CB-CG 4.32Å; A88-R97 VanDerWaalsContact O-CD 3.25Å; A88-R97 WeakPolarHBondContact O-CD 3.27Å; A88-R97 WeakPolarHBondContact O-CG 3.29Å; A88-R97 PolarHBondContact O-NE 3.26Å; A88-R97 VanDerWaalsContact O-NE 3.15Å; E91-R97 HydrophobicContact CB-CB 4.49Å; E91-R97 HydrophobicContact CG-CB 4.26Å; E91-R97 PolarHBondContact O-NE 3.33Å; E91-R97 PolarHBondContact O-NH2 2.89Å; N93-R97 WeakPolarHBondContact O-CB 3.3Å; N93-R97 PolarHBondContact O-N 3.18Å; R97-A100 PolarHBondContact O-N 2.92Å; R97-V101 WeakPolarHBondContact O-CG2 3.27Å; R97-V101 PolarHBondContact O-N 2.8Å; R97-A198 HydrophobicContact CG-CB 4.11Å
98	A	98.4	Very high	97.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-65.3	-38.8	178.7	0	0	0	0	0	113	S94 W102 M172 I194 A198 F199	S94-A98 VanDerWaalsContact O-CB 3.25Å; S94-A98 WeakPolarHBondContact O-CB 3.42Å; S94-A98 PolarHBondContact O-N 3.34Å; A98-W102 VanDerWaalsContact O-CB 3.22Å; A98-W102 WeakPolarHBondContact O-CB 3.44Å; A98-W102 PolarHBondContact O-N 3.3Å; A98-M172 HydrophobicContact CB-CB 4.2Å; A98-M172 HydrophobicContact CB-CE 4.2Å; A98-M172 HydrophobicContact CB-CG 4.08Å; A98-I194 HydrophobicContact CB-CG2 3.99Å; A98-A198 HydrophobicContact CB-CB 3.7Å; A98-F199 HydrophobicContact CB-CE1 3.77Å; A98-F199 HydrophobicContact CB-CE2 3.96Å; A98-F199 HydrophobicContact CB-CZ 3.25Å
99	Y	98.4	Very high	97.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-59.3	-50.7	171.7	167.8	-117.3	0	0	0	111.7	D95 R96 V101 W102 V103 W123 M124 W127 L130 L133	D95-Y99 WeakPolarHBondContact O-CB 3.3Å; D95-Y99 PolarHBondContact O-N 2.68Å; R96-Y99 PolarHBondContact O-N 2.68Å; Y99-V101 PolarHBondContact O-N 3.07Å; Y99-W102 WeakPolarHBondContact O-CB 3.48Å; Y99-W102 PolarHBondContact O-N 2.77Å; Y99-W102 VanDerWaalsContact O-N 3.1Å; Y99-V103 HydrophobicContact CD2-CG2 3.9Å; Y99-V103 HydrophobicContact CE1-CG2 4.31Å; Y99-V103 HydrophobicContact CE2-CG2 3.41Å; Y99-V103 VanDerWaalsContact CE2-CG2 3.41Å; Y99-V103 WeakPolarHBondContact O-CG2 3.46Å; Y99-V103 PolarHBondContact O-N 2.8Å; Y99-W123 PolarHBondContact OH-NE1 3.14Å; Y99-W123 VanDerWaalsContact OH-NE1 3.08Å; Y99-M124 HydrophobicContact CD1-CE 3.89Å; Y99-M124 HydrophobicContact CE1-CE 3.62Å; Y99-M124 HydrophobicContact CE1-SD 3.88Å; Y99-W127 WeakPolarHBondContact CE1-O 3.42Å; Y99-W127 PolarHBondContact OH-O 3.29Å; Y99-L130 HydrophobicContact CD2-CD2 3.49Å; Y99-L130 VanDerWaalsContact CD2-CD2 3.49Å; Y99-L130 HydrophobicContact CD2-CG 3.76Å; Y99-L130 HydrophobicContact CE2-CD2 4.24Å; Y99-L130 HydrophobicContact CG-CD2 4.07Å; Y99-L130 HydrophobicContact CG-CG 3.84Å; Y99-L133 HydrophobicContact CE2-CB 4.47Å; Y99-L133 HydrophobicContact CE2-CD2 3.85Å
100	A	98.3	Very high	96.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-59	-47.3	179.7	0	0	0	0	0	112.6	L87 R96 R97 W102 V103 S104 Y120 M124	L87-A100 HydrophobicContact CD1-CB 4.34Å; L87-A100 HydrophobicContact CD2-CB 3.38Å; L87-A100 HydrophobicContact CG-CB 4.4Å; R96-A100 WeakPolarHBondContact O-CB 3.36Å; R96-A100 PolarHBondContact O-N 2.9Å; R97-A100 PolarHBondContact O-N 2.92Å; A100-W102 VanDerWaalsContact C-N 3.32Å; A100-W102 PolarHBondContact O-N 2.83Å; A100-V103 PolarHBondContact O-N 2.87Å; A100-S104 PolarHBondContact O-N 2.85Å; A100-S104 PolarHBondContact O-OG 2.92Å; A100-Y120 WeakPolarHBondContact O-CE2 3.34Å; A100-M124 HydrophobicContact CB-CE 3.75Å
101	V	98.3	Very high	96.5	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.024	18%	0.182	C	C	.	.	H	α-helix	trans	-59.7	-42.6	173.3	174.7	0	0	0	0	110.9	A88 R97 Y99 V103 S104 E105 I194 I197	A88-V101 HydrophobicContact CB-CG2 3.78Å; R97-V101 WeakPolarHBondContact O-CG2 3.27Å; R97-V101 PolarHBondContact O-N 2.8Å; Y99-V101 PolarHBondContact O-N 3.07Å; V101-V103 PolarHBondContact O-N 2.85Å; V101-S104 PolarHBondContact O-N 2.89Å; V101-S104 PolarHBondContact O-OG 3.19Å; V101-E105 HydrophobicContact CG1-CG 4.12Å; V101-E105 WeakPolarHBondContact O-CB 3.35Å; V101-E105 VanDerWaalsContact O-CG 3.29Å; V101-E105 WeakPolarHBondContact O-CG 3.33Å; V101-E105 PolarHBondContact O-N 3.28Å; V101-I194 HydrophobicContact CG1-CG1 4.16Å; V101-I197 HydrophobicContact CG1-CB 4.16Å; V101-I197 HydrophobicContact CG1-CD1 4.17Å; V101-I197 HydrophobicContact CG1-CG2 4.3Å; V101-I197 HydrophobicContact CG2-CB 4.28Å; V101-I197 HydrophobicContact CG2-CG2 3.66Å
102	W	98.4	Very high	96.2	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.008	21%	0.205	C	C	.	.	H	α-helix	trans	-62.4	-42.3	178.1	-176.1	22.4	0	0	0	112.4	A98 Y99 A100 V106 L130 L157 M172 L183 V186 I194	A98-W102 VanDerWaalsContact O-CB 3.22Å; A98-W102 WeakPolarHBondContact O-CB 3.44Å; A98-W102 PolarHBondContact O-N 3.3Å; Y99-W102 WeakPolarHBondContact O-CB 3.48Å; Y99-W102 PolarHBondContact O-N 2.77Å; Y99-W102 VanDerWaalsContact O-N 3.1Å; A100-W102 VanDerWaalsContact C-N 3.32Å; A100-W102 PolarHBondContact O-N 2.83Å; W102-V106 WeakPolarHBondContact O-CB 3.42Å; W102-V106 VanDerWaalsContact O-CG2 3.28Å; W102-V106 WeakPolarHBondContact O-CG2 3.39Å; W102-V106 PolarHBondContact O-N 3.08Å; W102-L130 HydrophobicContact CE3-CD2 4.19Å; W102-L130 HydrophobicContact CZ3-CD2 3.87Å; W102-L157 HydrophobicContact CD2-CD1 3.47Å; W102-L157 VanDerWaalsContact CD2-CD1 3.47Å; W102-L157 VanDerWaalsContact CE2-CD1 3.41Å; W102-L157 HydrophobicContact CE3-CD1 3.89Å; W102-L157 HydrophobicContact CG-CD1 3.89Å; W102-L157 HydrophobicContact CH2-CD1 4.21Å; W102-L157 HydrophobicContact CZ2-CD1 3.81Å; W102-L157 HydrophobicContact CZ3-CD1 4.24Å; W102-M172 HydrophobicContact CD2-CE 4.23Å; W102-M172 HydrophobicContact CE3-CE 3.63Å; W102-M172 HydrophobicContact CE3-SD 4Å; W102-M172 HydrophobicContact CZ3-CE 4.16Å; W102-M172 HydrophobicContact CZ3-SD 4.03Å; W102-L183 HydrophobicContact CE3-CD1 4.5Å; W102-L183 HydrophobicContact CH2-CD1 3.94Å; W102-L183 HydrophobicContact CH2-CD2 4.45Å; W102-L183 HydrophobicContact CZ2-CB 4.28Å; W102-L183 HydrophobicContact CZ2-CD1 4.05Å; W102-L183 HydrophobicContact CZ3-CD1 4.19Å; W102-V186 HydrophobicContact CZ2-CG2 3.95Å; W102-I194 HydrophobicContact CB-CD1 3.57Å; W102-I194 HydrophobicContact CB-CG1 3.99Å; W102-I194 HydrophobicContact CD2-CD1 4.48Å; W102-I194 HydrophobicContact CG-CD1 3.61Å
103	V	98.4	Very high	96.1	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59.3	-50.6	174.4	178.3	0	0	0	0	110.8	Y99 A100 V101 V106 M107 Y120 W123 M124 L157	Y99-V103 HydrophobicContact CD2-CG2 3.9Å; Y99-V103 HydrophobicContact CE1-CG2 4.31Å; Y99-V103 HydrophobicContact CE2-CG2 3.41Å; Y99-V103 VanDerWaalsContact CE2-CG2 3.41Å; Y99-V103 WeakPolarHBondContact O-CG2 3.46Å; Y99-V103 PolarHBondContact O-N 2.8Å; A100-V103 PolarHBondContact O-N 2.87Å; V101-V103 PolarHBondContact O-N 2.85Å; V103-V106 PolarHBondContact O-N 3.37Å; V103-M107 HydrophobicContact CG1-CE 3.87Å; V103-M107 HydrophobicContact CG1-CG 4.5Å; V103-M107 HydrophobicContact CG1-SD 4.24Å; V103-M107 WeakPolarHBondContact O-CG 3.48Å; V103-M107 PolarHBondContact O-N 2.97Å; V103-Y120 HydrophobicContact CB-CD2 4.46Å; V103-Y120 HydrophobicContact CB-CE2 4.23Å; V103-Y120 HydrophobicContact CG1-CD2 3.97Å; V103-Y120 HydrophobicContact CG1-CE2 4.2Å; V103-W123 VanDerWaalsContact CG1-CD1 3.48Å; V103-W123 HydrophobicContact CG1-CD2 4.39Å; V103-W123 HydrophobicContact CG1-CG 3.96Å; V103-M124 HydrophobicContact CB-SD 4.18Å; V103-M124 HydrophobicContact CG1-SD 4.26Å; V103-M124 HydrophobicContact CG2-SD 3.98Å; V103-L157 HydrophobicContact CG2-CD2 4.24Å
104	S	97.9	Very high	96	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.007	19%	0.192	C	C	.	.	H	α-helix	trans	-63.2	-45.1	-179	57.5	0	0	0	0	112	W84 A100 V101 V106 M107 L108	W84-S104 VanDerWaalsContact CB-CB 3.46Å; W84-S104 VanDerWaalsContact CG-CB 3.49Å; A100-S104 PolarHBondContact O-N 2.85Å; A100-S104 PolarHBondContact O-OG 2.92Å; V101-S104 PolarHBondContact O-N 2.89Å; V101-S104 PolarHBondContact O-OG 3.19Å; S104-V106 VanDerWaalsContact C-N 3.35Å; S104-V106 PolarHBondContact O-N 3.07Å; S104-M107 PolarHBondContact O-N 2.78Å; S104-L108 WeakPolarHBondContact O-CB 3.45Å; S104-L108 WeakPolarHBondContact O-CD1 3.46Å; S104-L108 VanDerWaalsContact O-CG 3.23Å; S104-L108 WeakPolarHBondContact O-CG 3.45Å; S104-L108 PolarHBondContact O-N 3.33Å
105	E	97.7	Very high	95.9	Very high	10 Å²	10	38.1 Å²	38.1	5%	0.047	20%	0.195	C	C	.	.	H	α-helix	trans	-62.4	-40.5	179.2	-72.7	-52.6	131.3	0	0	112.3	V101 L108 Q109 Y189 T190 A193	V101-E105 HydrophobicContact CG1-CG 4.12Å; V101-E105 WeakPolarHBondContact O-CB 3.35Å; V101-E105 VanDerWaalsContact O-CG 3.29Å; V101-E105 WeakPolarHBondContact O-CG 3.33Å; V101-E105 PolarHBondContact O-N 3.28Å; E105-L108 PolarHBondContact O-N 2.97Å; E105-Q109 WeakPolarHBondContact O-CG 3.48Å; E105-Q109 PolarHBondContact O-N 3.36Å; E105-Y189 WeakPolarHBondContact OE2-CE1 3.47Å; E105-Y189 PolarHBondContact OE2-OH 3.24Å; E105-T190 HydrophobicContact CB-CG2 4.13Å; E105-A193 HydrophobicContact CG-CB 3.94Å
106	V	97.2	Very high	95.8	Very high	10 Å²	10	37.3 Å²	37.3	6%	0.061	19%	0.191	C	C	.	.	H	α-helix	trans	-68.8	-37.7	175.9	175.4	0	0	0	0	111.2	W102 V103 S104 W145 R153 L157 T190	W102-V106 WeakPolarHBondContact O-CB 3.42Å; W102-V106 VanDerWaalsContact O-CG2 3.28Å; W102-V106 WeakPolarHBondContact O-CG2 3.39Å; W102-V106 PolarHBondContact O-N 3.08Å; V103-V106 PolarHBondContact O-N 3.37Å; S104-V106 VanDerWaalsContact C-N 3.35Å; S104-V106 PolarHBondContact O-N 3.07Å; V106-W145 HydrophobicContact CG1-CH2 3.95Å; V106-R153 HydrophobicContact CG1-CB 3.73Å; V106-R153 HydrophobicContact CG1-CG 4.36Å; V106-R153 WeakPolarHBondContact O-CD 3.2Å; V106-R153 PolarHBondContact O-NH1 3.28Å; V106-L157 HydrophobicContact CB-CD2 4.46Å; V106-L157 HydrophobicContact CG1-CB 4.43Å; V106-L157 HydrophobicContact CG1-CD2 4.41Å; V106-L157 HydrophobicContact CG2-CD1 4.46Å; V106-T190 HydrophobicContact CG2-CG2 4.44Å
107	M	97.5	Very high	95.9	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-67.8	-37.5	174.9	-72.8	-171.6	177.5	0	0	113.2	V103 S104 Q109 T111 V116 W123 W145 L148 R153	V103-M107 HydrophobicContact CG1-CE 3.87Å; V103-M107 HydrophobicContact CG1-CG 4.5Å; V103-M107 HydrophobicContact CG1-SD 4.24Å; V103-M107 WeakPolarHBondContact O-CG 3.48Å; V103-M107 PolarHBondContact O-N 2.97Å; S104-M107 PolarHBondContact O-N 2.78Å; M107-Q109 VanDerWaalsContact C-N 3.32Å; M107-Q109 PolarHBondContact O-N 3.2Å; M107-T111 WeakPolarHBondContact O-CB 3.49Å; M107-T111 PolarHBondContact O-OG1 3Å; M107-T111 VanDerWaalsContact O-OG1 3.12Å; M107-V116 HydrophobicContact CB-CG1 3.6Å; M107-V116 HydrophobicContact CB-CG2 4.14Å; M107-V116 HydrophobicContact CG-CG1 4.49Å; M107-V116 HydrophobicContact SD-CG1 4.12Å; M107-W123 HydrophobicContact CE-CB 3.66Å; M107-W123 HydrophobicContact CE-CD2 3.7Å; M107-W123 HydrophobicContact CE-CE3 3.75Å; M107-W123 HydrophobicContact CE-CG 3.7Å; M107-W145 HydrophobicContact CB-CH2 4.42Å; M107-W145 HydrophobicContact CE-CE3 4.32Å; M107-W145 HydrophobicContact CE-CZ3 3.86Å; M107-W145 HydrophobicContact CG-CH2 3.57Å; M107-W145 HydrophobicContact CG-CZ2 4.42Å; M107-W145 HydrophobicContact CG-CZ3 3.82Å; M107-L148 HydrophobicContact CE-CD1 4.2Å; M107-L148 HydrophobicContact CG-CD1 4.07Å; M107-L148 HydrophobicContact SD-CD1 4.18Å; M107-R153 VanDerWaalsContact C-NH1 3.35Å; M107-R153 PolarHBondContact O-NH1 3.22Å
108	L	96	Very high	95.8	Very high	37 Å²	37	37.6 Å²	37.6	19%	0.194	20%	0.203	C	C	.	.	H	α-helix	trans	-72.1	-19	-178.3	-73.1	164.9	0	0	0	114	W84 S104 E105 Q110 T111 V113 V116	W84-L108 HydrophobicContact CH2-CD2 4.25Å; W84-L108 HydrophobicContact CZ2-CD1 3.95Å; W84-L108 HydrophobicContact CZ2-CD2 4.01Å; W84-L108 HydrophobicContact CZ2-CG 4.43Å; S104-L108 WeakPolarHBondContact O-CB 3.45Å; S104-L108 WeakPolarHBondContact O-CD1 3.46Å; S104-L108 VanDerWaalsContact O-CG 3.23Å; S104-L108 WeakPolarHBondContact O-CG 3.45Å; S104-L108 PolarHBondContact O-N 3.33Å; E105-L108 PolarHBondContact O-N 2.97Å; L108-Q110 PolarHBondContact O-N 3.26Å; L108-T111 PolarHBondContact O-N 3.35Å; L108-T111 VanDerWaalsContact O-N 3.1Å; L108-V113 HydrophobicContact CD2-CB 4.45Å; L108-V113 HydrophobicContact CD2-CG2 3.82Å; L108-V116 HydrophobicContact CD2-CB 4.14Å; L108-V116 HydrophobicContact CD2-CG1 4.32Å; L108-V116 HydrophobicContact CD2-CG2 3.97Å; L108-V116 HydrophobicContact CG-CG1 4.34Å; L108-V116 HydrophobicContact CG-CG2 4.41Å
109	Q	91.8	Very high	95.7	Very high	60 Å²	60	39.8 Å²	39.8	28%	0.28	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	107.5	175.2	-73.7	171	13.3	0	0	112.2	E105 M107 T111 R153 T190	E105-Q109 WeakPolarHBondContact O-CG 3.48Å; E105-Q109 PolarHBondContact O-N 3.36Å; M107-Q109 VanDerWaalsContact C-N 3.32Å; M107-Q109 PolarHBondContact O-N 3.2Å; Q109-T111 PolarHBondContact O-N 3.2Å; Q109-T111 PolarHBondContact O-OG1 3.32Å; Q109-R153 PolarHBondContact O-NH1 2.66Å; Q109-T190 PolarHBondContact NE2-OG1 3.37Å
110	Q	86.7	Confident	95.7	Very high	163 Å²	163	40 Å²	40	76%	0.762	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.7	25	-178.5	-51.1	-68.3	-27.5	0	0	113.9	L108 Y150	L108-Q110 PolarHBondContact O-N 3.26Å; Q110-Y150 HydrophobicContact CB-CD2 4.4Å; Q110-Y150 HydrophobicContact CB-CE2 3.61Å; Q110-Y150 HydrophobicContact CG-CE2 4.3Å
111	T	91.6	Very high	95.7	Very high	24 Å²	24	43.1 Å²	43.1	15%	0.147	23%	0.232	C	C	.	.	S	Bend	trans	-128.8	141.6	176.1	-47.6	0	0	0	0	109.8	M107 L108 Q109 T115 V116 L148 R153	M107-T111 WeakPolarHBondContact O-CB 3.49Å; M107-T111 PolarHBondContact O-OG1 3Å; M107-T111 VanDerWaalsContact O-OG1 3.12Å; L108-T111 PolarHBondContact O-N 3.35Å; L108-T111 VanDerWaalsContact O-N 3.1Å; Q109-T111 PolarHBondContact O-N 3.2Å; Q109-T111 PolarHBondContact O-OG1 3.32Å; T111-T115 HydrophobicContact CG2-CG2 4.2Å; T111-V116 HydrophobicContact CG2-CG2 3.71Å; T111-L148 HydrophobicContact CG2-CD2 4Å; T111-R153 PolarHBondContact OG1-NH1 3.05Å; T111-R153 PolarHBondContact OG1-NH2 3.29Å; T111-R153 VanDerWaalsContact OG1-NH2 3.09Å
112	Q	91.5	Very high	95.7	Very high	145 Å²	145	48 Å²	48	68%	0.678	25%	0.25	S	S	*	.			trans	-74.5	142	-179.5	-69.5	-176.6	-19.4	0	0	111.6	A114 T115 V116	Q112-A114 VanDerWaalsContact C-N 3.28Å; Q112-A114 PolarHBondContact O-N 2.85Å; Q112-T115 WeakPolarHBondContact O-CB 3.47Å; Q112-T115 PolarHBondContact O-N 2.91Å; Q112-V116 PolarHBondContact O-N 2.82Å; Q112-V116 VanDerWaalsContact O-N 3.16Å
113	V	93.9	Very high	95.7	Very high	35 Å²	35	48 Å²	48	21%	0.212	25%	0.25	C	S	.	.	H	α-helix	trans	-48.1	-48.2	178.7	172.1	0	0	0	0	112.2	L82 W84 L108 T115 V116 I117	L82-V113 HydrophobicContact CD1-CG1 4.31Å; L82-V113 HydrophobicContact CD2-CG1 3.57Å; W84-V113 HydrophobicContact CH2-CG1 3.96Å; W84-V113 HydrophobicContact CZ2-CG1 3.99Å; L108-V113 HydrophobicContact CD2-CB 4.45Å; L108-V113 HydrophobicContact CD2-CG2 3.82Å; V113-T115 VanDerWaalsContact C-N 3.25Å; V113-T115 PolarHBondContact O-N 2.89Å; V113-V116 PolarHBondContact O-N 3.21Å; V113-I117 PolarHBondContact O-N 2.77Å
114	A	94.4	Very high	95.7	Very high	76 Å²	76	49 Å²	49	63%	0.628	26%	0.255	S	S	*	.	H	α-helix	trans	-58.9	-34.3	-179.6	0	0	0	0	0	113.3	Q112	Q112-A114 VanDerWaalsContact C-N 3.28Å; Q112-A114 PolarHBondContact O-N 2.85Å
115	T	94	Very high	95.7	Very high	59 Å²	59	56.4 Å²	56.4	36%	0.362	29%	0.29	S	S	.	.	H	α-helix	trans	-73.8	-36.5	174.7	-48.9	0	0	0	0	111.7	T111 Q112 V113 I117 Y119	T111-T115 HydrophobicContact CG2-CG2 4.2Å; Q112-T115 WeakPolarHBondContact O-CB 3.47Å; Q112-T115 PolarHBondContact O-N 2.91Å; V113-T115 VanDerWaalsContact C-N 3.25Å; V113-T115 PolarHBondContact O-N 2.89Å; T115-I117 PolarHBondContact O-N 2.77Å; T115-Y119 HydrophobicContact CG2-CE2 4.3Å; T115-Y119 VanDerWaalsContact O-CD2 3.28Å; T115-Y119 WeakPolarHBondContact O-CD2 3.34Å
116	V	97.2	Very high	95.7	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-70.9	-31	-173.7	173.8	0	0	0	0	112.8	W84 M107 L108 T111 Q112 V113 D118 Y119 Y120	W84-V116 HydrophobicContact CE3-CG1 4.47Å; W84-V116 HydrophobicContact CH2-CB 4.16Å; W84-V116 HydrophobicContact CH2-CG1 3.99Å; W84-V116 HydrophobicContact CZ3-CB 4.28Å; W84-V116 HydrophobicContact CZ3-CG1 3.74Å; M107-V116 HydrophobicContact CB-CG1 3.6Å; M107-V116 HydrophobicContact CB-CG2 4.14Å; M107-V116 HydrophobicContact CG-CG1 4.49Å; M107-V116 HydrophobicContact SD-CG1 4.12Å; L108-V116 HydrophobicContact CD2-CB 4.14Å; L108-V116 HydrophobicContact CD2-CG1 4.32Å; L108-V116 HydrophobicContact CD2-CG2 3.97Å; L108-V116 HydrophobicContact CG-CG1 4.34Å; L108-V116 HydrophobicContact CG-CG2 4.41Å; T111-V116 HydrophobicContact CG2-CG2 3.71Å; Q112-V116 PolarHBondContact O-N 2.82Å; Q112-V116 VanDerWaalsContact O-N 3.16Å; V113-V116 PolarHBondContact O-N 3.21Å; V116-D118 PolarHBondContact O-N 3.35Å; V116-Y119 PolarHBondContact O-N 2.94Å; V116-Y119 VanDerWaalsContact O-N 3.1Å; V116-Y120 WeakPolarHBondContact O-CB 3.46Å; V116-Y120 PolarHBondContact O-N 2.92Å
117	I	97.5	Very high	95.7	Very high	54 Å²	54	59.8 Å²	59.8	28%	0.277	30%	0.303	S	S	.	.	H	α-helix	trans	-48.4	-54.2	-177.7	-70.5	166.5	0	0	0	112.5	L82 P83 W84 V113 T115 Y119 T121	L82-I117 HydrophobicContact CD2-CD1 4.16Å; L82-I117 HydrophobicContact CD2-CG1 4.45Å; P83-I117 HydrophobicContact CG-CG2 4.2Å; W84-I117 HydrophobicContact CH2-CG1 4.01Å; W84-I117 HydrophobicContact CZ3-CG1 3.99Å; V113-I117 PolarHBondContact O-N 2.77Å; T115-I117 PolarHBondContact O-N 2.77Å; I117-Y119 VanDerWaalsContact C-N 3.33Å; I117-Y119 PolarHBondContact O-N 3.33Å; I117-T121 WeakPolarHBondContact O-CB 3.34Å; I117-T121 PolarHBondContact O-N 2.92Å; I117-T121 PolarHBondContact O-OG1 3.24Å
118	D	96.5	Very high	95.7	Very high	108 Å²	108	62.6 Å²	62.6	58%	0.578	32%	0.321	S	S	*	.	H	α-helix	trans	-70.9	-27.4	-176.8	-67.4	-16	0	0	0	113.5	V116 R122	V116-D118 PolarHBondContact O-N 3.35Å; D118-R122 WeakPolarHBondContact O-CG 3.38Å; D118-R122 PolarHBondContact O-N 3.25Å; D118-R122 PolarHBondContact O-NE 3.33Å
119	Y	97.5	Very high	95.7	Very high	47 Å²	47	64.5 Å²	64.5	18%	0.184	33%	0.328	C	S	.	.	H	α-helix	trans	-80.2	-46.1	178.2	-77.2	-98.5	0	0	0	111.4	T115 V116 I117 T121 R122 W123 L144 S146 G147 L148	T115-Y119 HydrophobicContact CG2-CE2 4.3Å; T115-Y119 VanDerWaalsContact O-CD2 3.28Å; T115-Y119 WeakPolarHBondContact O-CD2 3.34Å; V116-Y119 PolarHBondContact O-N 2.94Å; V116-Y119 VanDerWaalsContact O-N 3.1Å; I117-Y119 VanDerWaalsContact C-N 3.33Å; I117-Y119 PolarHBondContact O-N 3.33Å; Y119-T121 VanDerWaalsContact C-N 3.32Å; Y119-T121 PolarHBondContact O-N 2.82Å; Y119-R122 VanDerWaalsContact CE1-NH2 3.32Å; Y119-R122 VanDerWaalsContact CG-NH2 3.31Å; Y119-R122 PolarHBondContact O-N 3.28Å; Y119-W123 WeakPolarHBondContact O-CB 3.24Å; Y119-W123 PolarHBondContact O-N 3.35Å; Y119-L144 WeakPolarHBondContact CD1-O 3.27Å; Y119-S146 WeakPolarHBondContact CE1-O 3.28Å; Y119-S146 PolarHBondContact OH-O 3.32Å; Y119-G147 WeakPolarHBondContact OH-CA 3.36Å; Y119-L148 HydrophobicContact CD1-CD1 3.67Å; Y119-L148 HydrophobicContact CD1-CD2 4.03Å; Y119-L148 HydrophobicContact CD1-CG 3.45Å; Y119-L148 VanDerWaalsContact CD1-CG 3.45Å; Y119-L148 HydrophobicContact CD2-CD2 3.83Å; Y119-L148 HydrophobicContact CD2-CG 4.17Å; Y119-L148 HydrophobicContact CE1-CD1 4.39Å; Y119-L148 HydrophobicContact CE1-CD2 4.44Å; Y119-L148 HydrophobicContact CE1-CG 3.77Å; Y119-L148 HydrophobicContact CE2-CD2 4.25Å; Y119-L148 HydrophobicContact CE2-CG 4.43Å; Y119-L148 HydrophobicContact CG-CD1 3.9Å; Y119-L148 HydrophobicContact CG-CD2 3.68Å; Y119-L148 HydrophobicContact CG-CG 3.66Å
120	Y	98.5	Very high	96	Very high	3 Å²	3	61.9 Å²	61.9	1%	0.012	32%	0.316	C	S	.	.	H	α-helix	trans	-58.1	-46.3	175.6	177.4	-90.6	0	0	0	111	P83 W84 A100 V103 V116 R122 W123 M124	P83-Y120 HydrophobicContact CB-CD1 3.79Å; P83-Y120 HydrophobicContact CB-CE1 3.87Å; W84-Y120 WeakPolarHBondContact CA-OH 3.49Å; W84-Y120 HydrophobicContact CB-CD1 4.5Å; W84-Y120 HydrophobicContact CB-CD2 4.42Å; W84-Y120 HydrophobicContact CB-CE1 3.91Å; W84-Y120 HydrophobicContact CB-CE2 3.83Å; W84-Y120 AromaticContact CE3-CD1 3.99Å; W84-Y120 HydrophobicContact CE3-CD1 3.99Å; W84-Y120 HydrophobicContact CE3-CD2 4.32Å; W84-Y120 HydrophobicContact CE3-CE1 4.49Å; W84-Y120 AromaticContact CE3-CG 3.88Å; W84-Y120 HydrophobicContact CE3-CG 3.88Å; A100-Y120 WeakPolarHBondContact O-CE2 3.34Å; V103-Y120 HydrophobicContact CB-CD2 4.46Å; V103-Y120 HydrophobicContact CB-CE2 4.23Å; V103-Y120 HydrophobicContact CG1-CD2 3.97Å; V103-Y120 HydrophobicContact CG1-CE2 4.2Å; V116-Y120 WeakPolarHBondContact O-CB 3.46Å; V116-Y120 PolarHBondContact O-N 2.92Å; Y120-R122 PolarHBondContact O-N 2.88Å; Y120-W123 PolarHBondContact O-N 3.43Å; Y120-M124 HydrophobicContact CD1-CG 4.17Å; Y120-M124 HydrophobicContact CD2-CG 4.14Å; Y120-M124 HydrophobicContact CE1-CG 3.74Å; Y120-M124 HydrophobicContact CE2-CG 3.69Å; Y120-M124 HydrophobicContact CE2-SD 4.13Å; Y120-M124 HydrophobicContact CG-CG 4.36Å; Y120-M124 VanDerWaalsContact CZ-CG 3.47Å; Y120-M124 WeakPolarHBondContact O-CG 3.44Å; Y120-M124 PolarHBondContact O-N 3.41Å
121	T	97.9	Very high	96.5	Very high	67 Å²	67	58 Å²	58	41%	0.411	30%	0.298	S	S	.	.	H	α-helix	trans	-60.5	-49.2	-179.5	-54.7	0	0	0	0	111.6	I117 Y119 W123 Q125	I117-T121 WeakPolarHBondContact O-CB 3.34Å; I117-T121 PolarHBondContact O-N 2.92Å; I117-T121 PolarHBondContact O-OG1 3.24Å; Y119-T121 VanDerWaalsContact C-N 3.32Å; Y119-T121 PolarHBondContact O-N 2.82Å; T121-W123 PolarHBondContact O-N 2.68Å; T121-Q125 WeakPolarHBondContact O-CB 3.46Å; T121-Q125 PolarHBondContact O-N 3.18Å
122	R	97.4	Very high	96.8	Very high	107 Å²	107	59 Å²	59	40%	0.404	30%	0.302	S	S	.	.	H	α-helix	trans	-66.1	-35.5	176.6	-69.7	179.3	-62.9	125	0.6	112.9	D118 Y119 Y120 K126	D118-R122 WeakPolarHBondContact O-CG 3.38Å; D118-R122 PolarHBondContact O-N 3.25Å; D118-R122 PolarHBondContact O-NE 3.33Å; Y119-R122 VanDerWaalsContact CE1-NH2 3.32Å; Y119-R122 VanDerWaalsContact CG-NH2 3.31Å; Y119-R122 PolarHBondContact O-N 3.28Å; Y120-R122 PolarHBondContact O-N 2.88Å; R122-K126 PolarHBondContact O-N 3.28Å; R122-K126 VanDerWaalsContact O-N 3.09Å
123	W	98.3	Very high	97.1	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.008	27%	0.27	C	S	.	.	H	α-helix	trans	-65.1	-52.5	177.7	-178.2	-73	0	0	0	111.5	Y99 V103 M107 Y119 Y120 T121 Q125 K126 W127 L133 V141 L144 W145 L157	Y99-W123 PolarHBondContact OH-NE1 3.14Å; Y99-W123 VanDerWaalsContact OH-NE1 3.08Å; V103-W123 VanDerWaalsContact CG1-CD1 3.48Å; V103-W123 HydrophobicContact CG1-CD2 4.39Å; V103-W123 HydrophobicContact CG1-CG 3.96Å; M107-W123 HydrophobicContact CE-CB 3.66Å; M107-W123 HydrophobicContact CE-CD2 3.7Å; M107-W123 HydrophobicContact CE-CE3 3.75Å; M107-W123 HydrophobicContact CE-CG 3.7Å; Y119-W123 WeakPolarHBondContact O-CB 3.24Å; Y119-W123 PolarHBondContact O-N 3.35Å; Y120-W123 PolarHBondContact O-N 3.43Å; T121-W123 PolarHBondContact O-N 2.68Å; W123-Q125 VanDerWaalsContact C-N 3.25Å; W123-Q125 PolarHBondContact O-N 3.1Å; W123-K126 PolarHBondContact O-N 3.27Å; W123-K126 VanDerWaalsContact O-N 3.14Å; W123-W127 AromaticContact CD2-CE3 3.74Å; W123-W127 HydrophobicContact CD2-CE3 3.74Å; W123-W127 AromaticContact CD2-CZ3 3.89Å; W123-W127 HydrophobicContact CD2-CZ3 3.89Å; W123-W127 AromaticContact CE2-CE3 3.81Å; W123-W127 AromaticContact CE3-CE3 3.94Å; W123-W127 HydrophobicContact CE3-CE3 3.94Å; W123-W127 AromaticContact CE3-CZ3 3.58Å; W123-W127 HydrophobicContact CE3-CZ3 3.58Å; W123-W127 HydrophobicContact CG-CE3 4.18Å; W123-W127 HydrophobicContact CH2-CE3 4.33Å; W123-W127 HydrophobicContact CH2-CZ3 4.02Å; W123-W127 HydrophobicContact CZ2-CE3 4.16Å; W123-W127 HydrophobicContact CZ2-CZ3 4.31Å; W123-W127 HydrophobicContact CZ3-CE3 4.2Å; W123-W127 AromaticContact CZ3-CZ3 3.61Å; W123-W127 HydrophobicContact CZ3-CZ3 3.61Å; W123-W127 PolarHBondContact O-N 3.19Å; W123-L133 HydrophobicContact CH2-CD1 3.84Å; W123-L133 HydrophobicContact CZ2-CD1 3.41Å; W123-L133 VanDerWaalsContact CZ2-CD1 3.41Å; W123-L133 HydrophobicContact CZ2-CD2 3.7Å; W123-L133 HydrophobicContact CZ2-CG 4.2Å; W123-V141 HydrophobicContact CH2-CG1 3.99Å; W123-V141 HydrophobicContact CH2-CG2 4.3Å; W123-V141 HydrophobicContact CZ3-CG1 4.29Å; W123-L144 HydrophobicContact CE3-CB 4.28Å; W123-W145 HydrophobicContact CE3-CE3 4.13Å; W123-W145 HydrophobicContact CE3-CZ3 4.44Å; W123-W145 HydrophobicContact CH2-CE3 4.01Å; W123-W145 HydrophobicContact CH2-CZ3 4.21Å; W123-W145 AromaticContact CZ3-CE3 3.56Å; W123-W145 HydrophobicContact CZ3-CE3 3.56Å; W123-W145 HydrophobicContact CZ3-CZ3 4.06Å; W123-L157 HydrophobicContact CH2-CD2 4.3Å; W123-L157 HydrophobicContact CZ2-CD2 3.7Å; W123-L157 HydrophobicContact CZ2-CG 4.39Å
124	M	98.1	Very high	97.3	Very high	19 Å²	19	50.9 Å²	50.9	9%	0.094	26%	0.264	C	S	.	.	H	α-helix	trans	-67.2	-27.3	179.4	-64.3	-54.8	-64	0	0	112.4	L87 Y99 A100 V103 Y120 P128	L87-M124 HydrophobicContact CD1-CE 4Å; L87-M124 HydrophobicContact CD1-CG 4.49Å; Y99-M124 HydrophobicContact CD1-CE 3.89Å; Y99-M124 HydrophobicContact CE1-CE 3.62Å; Y99-M124 HydrophobicContact CE1-SD 3.88Å; A100-M124 HydrophobicContact CB-CE 3.75Å; V103-M124 HydrophobicContact CB-SD 4.18Å; V103-M124 HydrophobicContact CG1-SD 4.26Å; V103-M124 HydrophobicContact CG2-SD 3.98Å; Y120-M124 HydrophobicContact CD1-CG 4.17Å; Y120-M124 HydrophobicContact CD2-CG 4.14Å; Y120-M124 HydrophobicContact CE1-CG 3.74Å; Y120-M124 HydrophobicContact CE2-CG 3.69Å; Y120-M124 HydrophobicContact CE2-SD 4.13Å; Y120-M124 HydrophobicContact CG-CG 4.36Å; Y120-M124 VanDerWaalsContact CZ-CG 3.47Å; Y120-M124 WeakPolarHBondContact O-CG 3.44Å; Y120-M124 PolarHBondContact O-N 3.41Å; M124-P128 VanDerWaalsContact O-CA 3.28Å; M124-P128 WeakPolarHBondContact O-CA 3.17Å; M124-P128 WeakPolarHBondContact O-CB 3.44Å
125	Q	97.7	Very high	97.5	Very high	158 Å²	158	51.9 Å²	51.9	74%	0.738	27%	0.266	S	S	*	.	H	α-helix	trans	-68	-39.9	170.9	-172.8	-178.6	7.8	0	0	112.5	T121 W123	T121-Q125 WeakPolarHBondContact O-CB 3.46Å; T121-Q125 PolarHBondContact O-N 3.18Å; W123-Q125 VanDerWaalsContact C-N 3.25Å; W123-Q125 PolarHBondContact O-N 3.1Å
126	K	97.9	Very high	97.6	Very high	81 Å²	81	49.4 Å²	49.4	35%	0.352	25%	0.251	S	S	.	.	H	α-helix	trans	-79.6	-39.7	179.1	-172.8	174.1	177	178.7	0	112.8	R122 W123 E140 L144	R122-K126 PolarHBondContact O-N 3.28Å; R122-K126 VanDerWaalsContact O-N 3.09Å; W123-K126 PolarHBondContact O-N 3.27Å; W123-K126 VanDerWaalsContact O-N 3.14Å; K126-E140 WeakPolarHBondContact CE-OE1 3.35Å; K126-E140 IonicContact NZ-OE1 3.27Å; K126-E140 PolarHBondContact NZ-OE1 3.49Å; K126-L144 HydrophobicContact CB-CD2 3.84Å; K126-L144 HydrophobicContact CD-CD1 3.78Å; K126-L144 HydrophobicContact CD-CD2 3.72Å; K126-L144 HydrophobicContact CD-CG 4.43Å; K126-L144 HydrophobicContact CG-CD2 4.34Å
127	W	98.2	Very high	97.5	Very high	9 Å²	9	51.8 Å²	51.8	3%	0.034	27%	0.268	C	S	.	.			trans	-129.9	77.7	-177.2	-57.3	-58.6	0	0	0	110.3	Y99 W123 K129 D132 L133 A136 E140 V141 L144	Y99-W127 WeakPolarHBondContact CE1-O 3.42Å; Y99-W127 PolarHBondContact OH-O 3.29Å; W123-W127 AromaticContact CD2-CE3 3.74Å; W123-W127 HydrophobicContact CD2-CE3 3.74Å; W123-W127 AromaticContact CD2-CZ3 3.89Å; W123-W127 HydrophobicContact CD2-CZ3 3.89Å; W123-W127 AromaticContact CE2-CE3 3.81Å; W123-W127 AromaticContact CE3-CE3 3.94Å; W123-W127 HydrophobicContact CE3-CE3 3.94Å; W123-W127 AromaticContact CE3-CZ3 3.58Å; W123-W127 HydrophobicContact CE3-CZ3 3.58Å; W123-W127 HydrophobicContact CG-CE3 4.18Å; W123-W127 HydrophobicContact CH2-CE3 4.33Å; W123-W127 HydrophobicContact CH2-CZ3 4.02Å; W123-W127 HydrophobicContact CZ2-CE3 4.16Å; W123-W127 HydrophobicContact CZ2-CZ3 4.31Å; W123-W127 HydrophobicContact CZ3-CE3 4.2Å; W123-W127 AromaticContact CZ3-CZ3 3.61Å; W123-W127 HydrophobicContact CZ3-CZ3 3.61Å; W123-W127 PolarHBondContact O-N 3.19Å; W127-K129 PolarHBondContact O-N 3.29Å; W127-D132 HydrophobicContact CB-CB 4.08Å; W127-D132 VanDerWaalsContact CD1-C 3.42Å; W127-D132 HydrophobicContact CG-CB 4.4Å; W127-L133 HydrophobicContact CB-CB 4.17Å; W127-L133 HydrophobicContact CD2-CD1 4.23Å; W127-L133 HydrophobicContact CE3-CD1 4.15Å; W127-L133 HydrophobicContact CG-CB 4.37Å; W127-A136 HydrophobicContact CZ2-CB 3.75Å; W127-E140 HydrophobicContact CH2-CB 4.25Å; W127-E140 HydrophobicContact CZ2-CB 3.9Å; W127-V141 HydrophobicContact CH2-CG2 3.95Å; W127-V141 HydrophobicContact CZ2-CG2 4.34Å; W127-V141 HydrophobicContact CZ3-CG2 4.36Å; W127-L144 HydrophobicContact CE3-CD2 4.18Å; W127-L144 HydrophobicContact CH2-CB 4.08Å; W127-L144 HydrophobicContact CH2-CD1 3.98Å; W127-L144 HydrophobicContact CH2-CD2 3.99Å; W127-L144 HydrophobicContact CH2-CG 4.22Å; W127-L144 HydrophobicContact CZ3-CB 3.89Å; W127-L144 HydrophobicContact CZ3-CD1 4.43Å; W127-L144 HydrophobicContact CZ3-CD2 3.63Å; W127-L144 HydrophobicContact CZ3-CG 4.17Å
128	P	97	Very high	97.1	Very high	61 Å²	61	51.5 Å²	51.5	40%	0.396	27%	0.267	S	S	.	.			trans	-70.2	-16.1	-178.5	26.1	-33.4	0	0	0	113.9	M124 D132	M124-P128 VanDerWaalsContact O-CA 3.28Å; M124-P128 WeakPolarHBondContact O-CA 3.17Å; M124-P128 WeakPolarHBondContact O-CB 3.44Å; P128-D132 VanDerWaalsContact CD-OD2 3.26Å; P128-D132 WeakPolarHBondContact CD-OD2 3.07Å; P128-D132 WeakPolarHBondContact CG-OD2 3.37Å
129	K	97	Very high	96.8	Very high	77 Å²	77	49 Å²	49	34%	0.335	25%	0.252	S	S	.	.	S	Bend	trans	-133	162.3	-180	-44.8	167.3	-162.5	158.3	0	112	W127 Q131 D132 L133	W127-K129 PolarHBondContact O-N 3.29Å; K129-Q131 VanDerWaalsContact C-N 3.26Å; K129-Q131 PolarHBondContact O-N 2.9Å; K129-D132 WeakPolarHBondContact CA-OD2 3.43Å; K129-D132 VanDerWaalsContact CB-OD2 3.23Å; K129-D132 WeakPolarHBondContact CB-OD2 3.47Å; K129-D132 WeakPolarHBondContact CG-OD2 3.49Å; K129-D132 PolarHBondContact N-OD2 3.43Å; K129-D132 WeakPolarHBondContact O-CB 3.45Å; K129-D132 PolarHBondContact O-N 2.73Å; K129-D132 VanDerWaalsContact O-N 3.12Å; K129-L133 PolarHBondContact O-N 3.48Å
130	L	96.6	Very high	96.6	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.021	26%	0.256	C	S	.	.	H	α-helix	trans	-54.5	-39.9	174.4	-73.9	156.5	0	0	0	113	Y99 W102 D132 L133 A134 A161 V164 V165 M172	Y99-L130 HydrophobicContact CD2-CD2 3.49Å; Y99-L130 VanDerWaalsContact CD2-CD2 3.49Å; Y99-L130 HydrophobicContact CD2-CG 3.76Å; Y99-L130 HydrophobicContact CE2-CD2 4.24Å; Y99-L130 HydrophobicContact CG-CD2 4.07Å; Y99-L130 HydrophobicContact CG-CG 3.84Å; W102-L130 HydrophobicContact CE3-CD2 4.19Å; W102-L130 HydrophobicContact CZ3-CD2 3.87Å; L130-D132 VanDerWaalsContact C-N 3.3Å; L130-D132 PolarHBondContact O-N 3.05Å; L130-L133 PolarHBondContact O-N 3.21Å; L130-A134 WeakPolarHBondContact O-CB 3.39Å; L130-A134 PolarHBondContact O-N 3.16Å; L130-A161 HydrophobicContact CD2-CB 3.94Å; L130-V164 HydrophobicContact CD1-CG1 4Å; L130-V165 HydrophobicContact CB-CG2 4.21Å; L130-M172 HydrophobicContact CD1-CG 3.67Å; L130-M172 HydrophobicContact CD1-SD 3.84Å; L130-M172 HydrophobicContact CD2-SD 4.13Å
131	Q	97.5	Very high	96.5	Very high	81 Å²	81	49.5 Å²	49.5	38%	0.379	26%	0.256	S	S	.	.	H	α-helix	trans	-64.1	-36.3	-179.9	-64	76	14.4	0	0	112	K129 S135 V165	K129-Q131 VanDerWaalsContact C-N 3.26Å; K129-Q131 PolarHBondContact O-N 2.9Å; Q131-S135 WeakPolarHBondContact O-CB 3.27Å; Q131-S135 PolarHBondContact O-N 2.88Å; Q131-S135 VanDerWaalsContact O-N 3.14Å; Q131-S135 PolarHBondContact O-OG 2.74Å; Q131-V165 HydrophobicContact CG-CG1 4.47Å; Q131-V165 HydrophobicContact CG-CG2 4.05Å
132	D	98.2	Very high	96.2	Very high	46 Å²	46	46.5 Å²	46.5	25%	0.246	24%	0.237	C	C	.	.	H	α-helix	trans	-70.4	-41.4	179.8	-45.3	-43.5	0	0	0	110.2	W127 P128 K129 L130 S135 A136	W127-D132 HydrophobicContact CB-CB 4.08Å; W127-D132 VanDerWaalsContact CD1-C 3.42Å; W127-D132 HydrophobicContact CG-CB 4.4Å; P128-D132 VanDerWaalsContact CD-OD2 3.26Å; P128-D132 WeakPolarHBondContact CD-OD2 3.07Å; P128-D132 WeakPolarHBondContact CG-OD2 3.37Å; K129-D132 WeakPolarHBondContact CA-OD2 3.43Å; K129-D132 VanDerWaalsContact CB-OD2 3.23Å; K129-D132 WeakPolarHBondContact CB-OD2 3.47Å; K129-D132 WeakPolarHBondContact CG-OD2 3.49Å; K129-D132 PolarHBondContact N-OD2 3.43Å; K129-D132 WeakPolarHBondContact O-CB 3.45Å; K129-D132 PolarHBondContact O-N 2.73Å; K129-D132 VanDerWaalsContact O-N 3.12Å; L130-D132 VanDerWaalsContact C-N 3.3Å; L130-D132 PolarHBondContact O-N 3.05Å; D132-S135 PolarHBondContact O-OG 3.27Å; D132-A136 PolarHBondContact O-N 3.29Å
133	L	98.3	Very high	95.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-71	-39.1	175.2	177.8	61	0	0	0	113	Y99 W123 W127 K129 L130 S135 A136 V141 L157 Q158 A161	Y99-L133 HydrophobicContact CE2-CB 4.47Å; Y99-L133 HydrophobicContact CE2-CD2 3.85Å; W123-L133 HydrophobicContact CH2-CD1 3.84Å; W123-L133 HydrophobicContact CZ2-CD1 3.41Å; W123-L133 VanDerWaalsContact CZ2-CD1 3.41Å; W123-L133 HydrophobicContact CZ2-CD2 3.7Å; W123-L133 HydrophobicContact CZ2-CG 4.2Å; W127-L133 HydrophobicContact CB-CB 4.17Å; W127-L133 HydrophobicContact CD2-CD1 4.23Å; W127-L133 HydrophobicContact CE3-CD1 4.15Å; W127-L133 HydrophobicContact CG-CB 4.37Å; K129-L133 PolarHBondContact O-N 3.48Å; L130-L133 PolarHBondContact O-N 3.21Å; L133-S135 VanDerWaalsContact C-N 3.32Å; L133-S135 PolarHBondContact O-N 3.49Å; L133-A136 WeakPolarHBondContact O-CB 3.25Å; L133-A136 PolarHBondContact O-N 3.28Å; L133-V141 HydrophobicContact CD1-CG2 3.78Å; L133-L157 HydrophobicContact CD2-CG 4Å; L133-Q158 HydrophobicContact CD1-CB 4.31Å; L133-Q158 HydrophobicContact CG-CB 4.46Å; L133-Q158 PolarHBondContact O-NE2 3.05Å; L133-A161 HydrophobicContact CB-CB 4.36Å; L133-A161 HydrophobicContact CD2-CB 3.81Å; L133-A161 HydrophobicContact CG-CB 4.05Å
134	A	98.1	Very high	95.7	Very high	10 Å²	10	45.9 Å²	45.9	8%	0.083	24%	0.24	C	C	.	.	H	α-helix	trans	-61.5	-41.8	179.4	0	0	0	0	0	111.6	L130 R162 V165	L130-A134 WeakPolarHBondContact O-CB 3.39Å; L130-A134 PolarHBondContact O-N 3.16Å; A134-R162 HydrophobicContact CB-CB 4.48Å; A134-R162 HydrophobicContact CB-CG 3.87Å; A134-R162 VanDerWaalsContact O-CG 3.3Å; A134-R162 WeakPolarHBondContact O-CG 3.33Å; A134-R162 PolarHBondContact O-NE 3.14Å; A134-V165 HydrophobicContact CB-CB 4.23Å; A134-V165 HydrophobicContact CB-CG2 3.91Å
135	S	97.7	Very high	95.5	Very high	97 Å²	97	45 Å²	45	68%	0.678	24%	0.236	S	C	*	.	H	α-helix	trans	-77.8	-15.7	179	55.2	0	0	0	0	114.6	Q131 D132 L133	Q131-S135 WeakPolarHBondContact O-CB 3.27Å; Q131-S135 PolarHBondContact O-N 2.88Å; Q131-S135 VanDerWaalsContact O-N 3.14Å; Q131-S135 PolarHBondContact O-OG 2.74Å; D132-S135 PolarHBondContact O-OG 3.27Å; L133-S135 VanDerWaalsContact C-N 3.32Å; L133-S135 PolarHBondContact O-N 3.49Å
136	A	97.1	Very high	95.2	Very high	6 Å²	6	38.2 Å²	38.2	5%	0.05	21%	0.206	C	C	.	.	S	Bend	trans	-61.7	154.9	177.3	0	0	0	0	0	112.9	W127 D132 L133 V141 Q158 R162	W127-A136 HydrophobicContact CZ2-CB 3.75Å; D132-A136 PolarHBondContact O-N 3.29Å; L133-A136 WeakPolarHBondContact O-CB 3.25Å; L133-A136 PolarHBondContact O-N 3.28Å; A136-V141 HydrophobicContact CB-CG2 4.37Å; A136-Q158 PolarHBondContact O-NE2 3.45Å; A136-R162 PolarHBondContact O-NH2 3.32Å
137	S	93.5	Very high	94.7	Very high	50 Å²	50	35.8 Å²	35.8	35%	0.35	20%	0.204	S	C	.	.			trans	-76.8	159.6	168.5	68.9	0	0	0	0	111.9	E139 E140 V141 Q158	S137-E139 VanDerWaalsContact C-N 3.3Å; S137-E140 WeakPolarHBondContact CB-OE2 3.41Å; S137-E140 PolarHBondContact N-OE2 3.38Å; S137-E140 WeakPolarHBondContact OG-CG 3.19Å; S137-E140 PolarHBondContact OG-N 3Å; S137-E140 PolarHBondContact OG-OE2 3.06Å; S137-V141 PolarHBondContact O-N 2.98Å; S137-Q158 PolarHBondContact O-NE2 3.2Å
138	L	90.9	Very high	94.3	Very high	48 Å²	48	35.9 Å²	35.9	25%	0.251	21%	0.205	S	C	.	.	H	α-helix	trans	-68.3	-31.4	174.2	179.2	60.2	0	0	0	111.7	V141 N142 R155	L138-V141 PolarHBondContact O-N 3.35Å; L138-N142 WeakPolarHBondContact O-CB 3.48Å; L138-N142 PolarHBondContact O-N 2.73Å; L138-R155 HydrophobicContact CD1-CB 4.01Å; L138-R155 HydrophobicContact CD1-CG 3.92Å
139	E	89.2	Confident	93.9	Very high	57 Å²	57	34.2 Å²	34.2	27%	0.266	20%	0.198	S	C	.	.	H	α-helix	trans	-63.8	-47.1	176.1	176.9	163.7	-165.5	0	0	111.1	S137 V141 N142 Q143 W371 R442	S137-E139 VanDerWaalsContact C-N 3.3Å; E139-V141 VanDerWaalsContact C-N 3.33Å; E139-V141 PolarHBondContact O-N 2.99Å; E139-N142 CarbonylContact O-C 3.52Å; E139-N142 PolarHBondContact O-N 2.85Å; E139-N142 VanDerWaalsContact O-N 3.16Å; E139-Q143 HydrophobicContact CG-CG 4.22Å; E139-Q143 VanDerWaalsContact O-CG 3.3Å; E139-Q143 WeakPolarHBondContact O-CG 3.3Å; E139-Q143 PolarHBondContact O-N 3.12Å; E139-Q143 PolarHBondContact OE1-NE2 3.01Å; E139-W371 PolarHBondContact OE1-NE1 3.06Å; E139-R442 IonicContact OE1-CZ 3.04Å; E139-R442 VanDerWaalsContact OE1-CZ 3.28Å; E139-R442 IonicContact OE1-NH1 3.82Å; E139-R442 PolarHBondContact OE1-NH1 3.16Å; E139-R442 IonicContact OE1-NH2 3.3Å; E139-R442 PolarHBondContact OE1-NH2 3.39Å; E139-R442 IonicContact OE2-NH1 3.62Å; E139-R442 PolarHBondContact OE2-NH1 2.92Å
140	E	93.7	Very high	93.4	Very high	59 Å²	59	35.2 Å²	35.2	28%	0.276	20%	0.201	S	C	.	.	H	α-helix	trans	-61.6	-40.6	177.8	-69.9	167.4	92.7	0	0	112.6	K126 W127 S137 N142 Q143 L144	K126-E140 WeakPolarHBondContact CE-OE1 3.35Å; K126-E140 IonicContact NZ-OE1 3.27Å; K126-E140 PolarHBondContact NZ-OE1 3.49Å; W127-E140 HydrophobicContact CH2-CB 4.25Å; W127-E140 HydrophobicContact CZ2-CB 3.9Å; S137-E140 WeakPolarHBondContact CB-OE2 3.41Å; S137-E140 PolarHBondContact N-OE2 3.38Å; S137-E140 WeakPolarHBondContact OG-CG 3.19Å; S137-E140 PolarHBondContact OG-N 3Å; S137-E140 PolarHBondContact OG-OE2 3.06Å; E140-N142 VanDerWaalsContact C-N 3.34Å; E140-Q143 WeakPolarHBondContact O-CB 3.49Å; E140-Q143 PolarHBondContact O-N 3.03Å; E140-L144 WeakPolarHBondContact O-CD1 3.2Å; E140-L144 PolarHBondContact O-N 3.2Å
141	V	95.2	Very high	93.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59.8	-46.3	174	164.1	0	0	0	0	110.5	W123 W127 L133 A136 S137 L138 E139 Q143 L144 W145 Q158	W123-V141 HydrophobicContact CH2-CG1 3.99Å; W123-V141 HydrophobicContact CH2-CG2 4.3Å; W123-V141 HydrophobicContact CZ3-CG1 4.29Å; W127-V141 HydrophobicContact CH2-CG2 3.95Å; W127-V141 HydrophobicContact CZ2-CG2 4.34Å; W127-V141 HydrophobicContact CZ3-CG2 4.36Å; L133-V141 HydrophobicContact CD1-CG2 3.78Å; A136-V141 HydrophobicContact CB-CG2 4.37Å; S137-V141 PolarHBondContact O-N 2.98Å; L138-V141 PolarHBondContact O-N 3.35Å; E139-V141 VanDerWaalsContact C-N 3.33Å; E139-V141 PolarHBondContact O-N 2.99Å; V141-Q143 VanDerWaalsContact C-N 3.33Å; V141-Q143 PolarHBondContact O-N 3.22Å; V141-L144 PolarHBondContact O-N 2.95Å; V141-W145 VanDerWaalsContact O-CB 3.25Å; V141-W145 WeakPolarHBondContact O-CB 3.38Å; V141-W145 PolarHBondContact O-N 3.05Å; V141-Q158 HydrophobicContact CG2-CB 4.35Å; V141-Q158 HydrophobicContact CG2-CG 4.48Å; V141-Q158 VanDerWaalsContact CG2-NE2 3.32Å
142	N	92.1	Very high	92.8	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.021	21%	0.206	C	C	.	.	H	α-helix	trans	-66.1	-32.4	176.9	-75.3	-18.5	0	0	0	112.9	L138 E139 E140 S146 L370 A453	L138-N142 WeakPolarHBondContact O-CB 3.48Å; L138-N142 PolarHBondContact O-N 2.73Å; E139-N142 CarbonylContact O-C 3.52Å; E139-N142 PolarHBondContact O-N 2.85Å; E139-N142 VanDerWaalsContact O-N 3.16Å; E140-N142 VanDerWaalsContact C-N 3.34Å; N142-S146 PolarHBondContact O-N 3.16Å; N142-S146 VanDerWaalsContact O-N 3.11Å; N142-L370 HydrophobicContact CB-CD2 3.82Å; N142-A453 HydrophobicContact CB-CB 3.73Å
143	Q	91.9	Very high	92.6	Very high	67 Å²	67	33.5 Å²	33.5	31%	0.313	20%	0.197	S	C	.	.	H	α-helix	trans	-65.3	-49.4	174	-73.5	170.8	0.9	0	0	111	E139 E140 V141 W145 S146 A453	E139-Q143 HydrophobicContact CG-CG 4.22Å; E139-Q143 VanDerWaalsContact O-CG 3.3Å; E139-Q143 WeakPolarHBondContact O-CG 3.3Å; E139-Q143 PolarHBondContact O-N 3.12Å; E139-Q143 PolarHBondContact OE1-NE2 3.01Å; E140-Q143 WeakPolarHBondContact O-CB 3.49Å; E140-Q143 PolarHBondContact O-N 3.03Å; V141-Q143 VanDerWaalsContact C-N 3.33Å; V141-Q143 PolarHBondContact O-N 3.22Å; Q143-W145 PolarHBondContact O-N 3.11Å; Q143-S146 WeakPolarHBondContact O-CB 3.41Å; Q143-S146 PolarHBondContact O-N 3.47Å; Q143-A453 HydrophobicContact CG-CB 4.01Å
144	L	94	Very high	92.4	Very high	30 Å²	30	33.5 Å²	33.5	16%	0.157	20%	0.197	C	C	.	.	H	α-helix	trans	-71.5	-29.2	178.8	-88.2	78.4	0	0	0	112.9	Y119 W123 K126 W127 E140 V141 S146	Y119-L144 WeakPolarHBondContact CD1-O 3.27Å; W123-L144 HydrophobicContact CE3-CB 4.28Å; K126-L144 HydrophobicContact CB-CD2 3.84Å; K126-L144 HydrophobicContact CD-CD1 3.78Å; K126-L144 HydrophobicContact CD-CD2 3.72Å; K126-L144 HydrophobicContact CD-CG 4.43Å; K126-L144 HydrophobicContact CG-CD2 4.34Å; W127-L144 HydrophobicContact CE3-CD2 4.18Å; W127-L144 HydrophobicContact CH2-CB 4.08Å; W127-L144 HydrophobicContact CH2-CD1 3.98Å; W127-L144 HydrophobicContact CH2-CD2 3.99Å; W127-L144 HydrophobicContact CH2-CG 4.22Å; W127-L144 HydrophobicContact CZ3-CB 3.89Å; W127-L144 HydrophobicContact CZ3-CD1 4.43Å; W127-L144 HydrophobicContact CZ3-CD2 3.63Å; W127-L144 HydrophobicContact CZ3-CG 4.17Å; E140-L144 WeakPolarHBondContact O-CD1 3.2Å; E140-L144 PolarHBondContact O-N 3.2Å; V141-L144 PolarHBondContact O-N 2.95Å; L144-S146 PolarHBondContact O-N 2.84Å
145	W	94.7	Very high	92.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-8.8	172.9	-152.9	-87.8	0	0	0	113.7	V106 M107 W123 V141 Q143 G147 L148 G149 Y151 R153 L157	V106-W145 HydrophobicContact CG1-CH2 3.95Å; M107-W145 HydrophobicContact CB-CH2 4.42Å; M107-W145 HydrophobicContact CE-CE3 4.32Å; M107-W145 HydrophobicContact CE-CZ3 3.86Å; M107-W145 HydrophobicContact CG-CH2 3.57Å; M107-W145 HydrophobicContact CG-CZ2 4.42Å; M107-W145 HydrophobicContact CG-CZ3 3.82Å; W123-W145 HydrophobicContact CE3-CE3 4.13Å; W123-W145 HydrophobicContact CE3-CZ3 4.44Å; W123-W145 HydrophobicContact CH2-CE3 4.01Å; W123-W145 HydrophobicContact CH2-CZ3 4.21Å; W123-W145 AromaticContact CZ3-CE3 3.56Å; W123-W145 HydrophobicContact CZ3-CE3 3.56Å; W123-W145 HydrophobicContact CZ3-CZ3 4.06Å; V141-W145 VanDerWaalsContact O-CB 3.25Å; V141-W145 WeakPolarHBondContact O-CB 3.38Å; V141-W145 PolarHBondContact O-N 3.05Å; Q143-W145 PolarHBondContact O-N 3.11Å; W145-G147 PolarHBondContact O-N 2.9Å; W145-L148 HydrophobicContact CD2-CB 4.5Å; W145-L148 HydrophobicContact CD2-CD1 3.76Å; W145-L148 HydrophobicContact CE3-CD1 4.02Å; W145-L148 HydrophobicContact CG-CB 4.38Å; W145-L148 HydrophobicContact CG-CD1 4.18Å; W145-L148 HydrophobicContact CH2-CD1 4.27Å; W145-L148 HydrophobicContact CZ2-CD1 4.04Å; W145-L148 HydrophobicContact CZ3-CD1 4.28Å; W145-L148 PolarHBondContact O-N 3.49Å; W145-G149 PolarHBondContact NE1-O 3.42Å; W145-Y151 HydrophobicContact CB-CD1 4.2Å; W145-Y151 HydrophobicContact CB-CE1 4.37Å; W145-Y151 AromaticContact CD1-CD1 3.68Å; W145-Y151 HydrophobicContact CG-CD1 4.28Å; W145-R153 HydrophobicContact CH2-CB 4.19Å; W145-R153 HydrophobicContact CZ2-CB 3.58Å; W145-L157 HydrophobicContact CZ3-CD2 4.31Å
146	S	89.7	Confident	92	Very high	16 Å²	16	38.5 Å²	38.5	11%	0.112	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	106.5	-172.8	-171	0	0	0	0	112.4	Y119 N142 Q143 L144 Y151 V454	Y119-S146 WeakPolarHBondContact CE1-O 3.28Å; Y119-S146 PolarHBondContact OH-O 3.32Å; N142-S146 PolarHBondContact O-N 3.16Å; N142-S146 VanDerWaalsContact O-N 3.11Å; Q143-S146 WeakPolarHBondContact O-CB 3.41Å; Q143-S146 PolarHBondContact O-N 3.47Å; L144-S146 PolarHBondContact O-N 2.84Å; S146-Y151 WeakPolarHBondContact CA-OH 3.39Å; S146-V454 PolarHBondContact OG-O 3Å
147	G	87.2	Confident	92.1	Very high	30 Å²	30	38.3 Å²	38.3	31%	0.309	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	112.8	-19.1	-178.8	0	0	0	0	0	116	Y119 W145 G149 Y151	Y119-G147 WeakPolarHBondContact OH-CA 3.36Å; W145-G147 PolarHBondContact O-N 2.9Å; G147-G149 VanDerWaalsContact C-N 3.27Å; G147-G149 PolarHBondContact O-N 3.37Å; G147-Y151 PolarHBondContact N-OH 3.11Å
148	L	90.7	Very high	92.2	Very high	10 Å²	10	36 Å²	36	5%	0.052	18%	0.181	C	C	.	.	S	Bend	trans	-70.3	-21.4	175.8	-77.3	172.7	0	0	0	113.9	M107 T111 Y119 W145 R153	M107-L148 HydrophobicContact CE-CD1 4.2Å; M107-L148 HydrophobicContact CG-CD1 4.07Å; M107-L148 HydrophobicContact SD-CD1 4.18Å; T111-L148 HydrophobicContact CG2-CD2 4Å; Y119-L148 HydrophobicContact CD1-CD1 3.67Å; Y119-L148 HydrophobicContact CD1-CD2 4.03Å; Y119-L148 HydrophobicContact CD1-CG 3.45Å; Y119-L148 VanDerWaalsContact CD1-CG 3.45Å; Y119-L148 HydrophobicContact CD2-CD2 3.83Å; Y119-L148 HydrophobicContact CD2-CG 4.17Å; Y119-L148 HydrophobicContact CE1-CD1 4.39Å; Y119-L148 HydrophobicContact CE1-CD2 4.44Å; Y119-L148 HydrophobicContact CE1-CG 3.77Å; Y119-L148 HydrophobicContact CE2-CD2 4.25Å; Y119-L148 HydrophobicContact CE2-CG 4.43Å; Y119-L148 HydrophobicContact CG-CD1 3.9Å; Y119-L148 HydrophobicContact CG-CD2 3.68Å; Y119-L148 HydrophobicContact CG-CG 3.66Å; W145-L148 HydrophobicContact CD2-CB 4.5Å; W145-L148 HydrophobicContact CD2-CD1 3.76Å; W145-L148 HydrophobicContact CE3-CD1 4.02Å; W145-L148 HydrophobicContact CG-CB 4.38Å; W145-L148 HydrophobicContact CG-CD1 4.18Å; W145-L148 HydrophobicContact CH2-CD1 4.27Å; W145-L148 HydrophobicContact CZ2-CD1 4.04Å; W145-L148 HydrophobicContact CZ3-CD1 4.28Å; W145-L148 PolarHBondContact O-N 3.49Å; L148-R153 PolarHBondContact O-NH2 2.69Å; L148-R153 VanDerWaalsContact O-NH2 3.16Å
149	G	88.4	Confident	92.5	Very high	26 Å²	26	37 Å²	37	27%	0.268	18%	0.184	S	C	.	.	S	Bend	trans	70.4	171.4	-172.8	0	0	0	0	0	113.6	W145 G147 Y151 R153	W145-G149 PolarHBondContact NE1-O 3.42Å; G147-G149 VanDerWaalsContact C-N 3.27Å; G147-G149 PolarHBondContact O-N 3.37Å; G149-Y151 PolarHBondContact O-N 2.97Å; G149-R153 PolarHBondContact O-NH2 3.01Å
150	Y	87.4	Confident	92.9	Very high	99 Å²	99	34.3 Å²	34.3	39%	0.388	17%	0.172	S	C	.	.			trans	47.9	55.5	-174.7	-55	-82.7	0	0	0	112.9	Q110 S152 R153 S416	Q110-Y150 HydrophobicContact CB-CD2 4.4Å; Q110-Y150 HydrophobicContact CB-CE2 3.61Å; Q110-Y150 HydrophobicContact CG-CE2 4.3Å; Y150-S152 PolarHBondContact O-N 3.16Å; Y150-R153 VanDerWaalsContact O-CB 3.27Å; Y150-R153 WeakPolarHBondContact O-CB 3.48Å; Y150-R153 WeakPolarHBondContact O-CG 3.21Å; Y150-R153 PolarHBondContact O-N 3.4Å; Y150-S416 PolarHBondContact OH-OG 3.16Å
151	Y	90.1	Very high	93.1	Very high	14 Å²	14	31.5 Å²	31.5	6%	0.055	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-23.3	-173.2	-70	-96	0	0	0	115.2	W145 S146 G147 G149 R153 G154 R155 L367 L370	W145-Y151 HydrophobicContact CB-CD1 4.2Å; W145-Y151 HydrophobicContact CB-CE1 4.37Å; W145-Y151 AromaticContact CD1-CD1 3.68Å; W145-Y151 HydrophobicContact CG-CD1 4.28Å; S146-Y151 WeakPolarHBondContact CA-OH 3.39Å; G147-Y151 PolarHBondContact N-OH 3.11Å; G149-Y151 PolarHBondContact O-N 2.97Å; Y151-R153 PolarHBondContact O-N 3.44Å; Y151-R153 VanDerWaalsContact O-N 3.11Å; Y151-G154 PolarHBondContact O-N 2.81Å; Y151-R155 PolarHBondContact O-N 3.25Å; Y151-L367 HydrophobicContact CD2-CD2 3.85Å; Y151-L367 HydrophobicContact CE2-CD2 3.95Å; Y151-L370 HydrophobicContact CD1-CD1 4.09Å; Y151-L370 HydrophobicContact CD1-CD2 3.69Å; Y151-L370 HydrophobicContact CD1-CG 4.37Å; Y151-L370 HydrophobicContact CD2-CD1 3.77Å; Y151-L370 HydrophobicContact CE1-CD1 3.89Å; Y151-L370 HydrophobicContact CE1-CD2 3.78Å; Y151-L370 HydrophobicContact CE1-CG 4.47Å; Y151-L370 HydrophobicContact CE2-CD1 3.58Å; Y151-L370 HydrophobicContact CG-CD1 4.01Å; Y151-L370 HydrophobicContact CG-CD2 4.19Å; Y151-L370 HydrophobicContact CG-CG 4.42Å
152	S	91	Very high	93.3	Very high	64 Å²	64	35.5 Å²	35.5	45%	0.448	17%	0.173	S	C	.	.	H	α-helix	trans	-57.2	-22.1	170.7	53.8	0	0	0	0	113.7	Y150 R156	Y150-S152 PolarHBondContact O-N 3.16Å; S152-R156 VanDerWaalsContact O-CB 3.32Å; S152-R156 WeakPolarHBondContact O-CB 3.36Å; S152-R156 WeakPolarHBondContact O-CD 3.44Å; S152-R156 WeakPolarHBondContact O-CG 3.43Å; S152-R156 PolarHBondContact O-N 2.95Å
153	R	94.3	Very high	93.5	Very high	17 Å²	17	37.9 Å²	37.9	6%	0.064	18%	0.184	C	C	.	.	H	α-helix	trans	-64.9	-56.3	171.9	-70.3	-173.1	-63	165.5	-15.1	112.1	V106 M107 Q109 T111 W145 L148 G149 Y150 Y151 R155 R156 L157	V106-R153 HydrophobicContact CG1-CB 3.73Å; V106-R153 HydrophobicContact CG1-CG 4.36Å; V106-R153 WeakPolarHBondContact O-CD 3.2Å; V106-R153 PolarHBondContact O-NH1 3.28Å; M107-R153 VanDerWaalsContact C-NH1 3.35Å; M107-R153 PolarHBondContact O-NH1 3.22Å; Q109-R153 PolarHBondContact O-NH1 2.66Å; T111-R153 PolarHBondContact OG1-NH1 3.05Å; T111-R153 PolarHBondContact OG1-NH2 3.29Å; T111-R153 VanDerWaalsContact OG1-NH2 3.09Å; W145-R153 HydrophobicContact CH2-CB 4.19Å; W145-R153 HydrophobicContact CZ2-CB 3.58Å; L148-R153 PolarHBondContact O-NH2 2.69Å; L148-R153 VanDerWaalsContact O-NH2 3.16Å; G149-R153 PolarHBondContact O-NH2 3.01Å; Y150-R153 VanDerWaalsContact O-CB 3.27Å; Y150-R153 WeakPolarHBondContact O-CB 3.48Å; Y150-R153 WeakPolarHBondContact O-CG 3.21Å; Y150-R153 PolarHBondContact O-N 3.4Å; Y151-R153 PolarHBondContact O-N 3.44Å; Y151-R153 VanDerWaalsContact O-N 3.11Å; R153-R155 VanDerWaalsContact C-N 3.3Å; R153-R155 PolarHBondContact O-N 2.91Å; R153-R156 PolarHBondContact O-N 3.41Å; R153-L157 WeakPolarHBondContact O-CB 3.14Å; R153-L157 PolarHBondContact O-N 3.46Å
154	G	94.4	Very high	93.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60.1	-40.4	179.4	0	0	0	0	0	112.3	Y151 L157 Q158	Y151-G154 PolarHBondContact O-N 2.81Å; G154-L157 PolarHBondContact O-N 2.98Å; G154-Q158 PolarHBondContact O-N 3.07Å
155	R	93	Very high	94	Very high	81 Å²	81	35.4 Å²	35.4	31%	0.306	17%	0.174	S	C	.	.	H	α-helix	trans	-61.8	-49.8	173.1	177	175	162.4	177.5	-3.5	112.9	L138 Y151 R153 L157 Q158 E159 D363	L138-R155 HydrophobicContact CD1-CB 4.01Å; L138-R155 HydrophobicContact CD1-CG 3.92Å; Y151-R155 PolarHBondContact O-N 3.25Å; R153-R155 VanDerWaalsContact C-N 3.3Å; R153-R155 PolarHBondContact O-N 2.91Å; R155-L157 VanDerWaalsContact C-N 3.29Å; R155-L157 PolarHBondContact O-N 3.31Å; R155-Q158 WeakPolarHBondContact O-CB 3.36Å; R155-Q158 PolarHBondContact O-N 3.27Å; R155-Q158 VanDerWaalsContact O-N 3.16Å; R155-E159 HydrophobicContact CG-CG 4.34Å; R155-E159 IonicContact CZ-OE1 3.15Å; R155-E159 IonicContact NE-OE1 2.65Å; R155-E159 PolarHBondContact NE-OE1 3.09Å; R155-E159 IonicContact NH2-OE1 2.64Å; R155-E159 PolarHBondContact NH2-OE1 3.16Å; R155-E159 WeakPolarHBondContact O-CG 3.37Å; R155-E159 PolarHBondContact O-N 3.12Å; R155-D363 PolarHBondContact NH1-O 3.46Å
156	R	94.5	Very high	94.2	Very high	130 Å²	130	42.2 Å²	42.2	49%	0.491	21%	0.206	S	C	.	.	H	α-helix	trans	-64.1	-34.8	179.1	-76.4	171.7	179.8	175.9	-1.2	112.6	S152 R153 E159 G160	S152-R156 VanDerWaalsContact O-CB 3.32Å; S152-R156 WeakPolarHBondContact O-CB 3.36Å; S152-R156 WeakPolarHBondContact O-CD 3.44Å; S152-R156 WeakPolarHBondContact O-CG 3.43Å; S152-R156 PolarHBondContact O-N 2.95Å; R153-R156 PolarHBondContact O-N 3.41Å; R156-E159 PolarHBondContact O-N 3.5Å; R156-G160 PolarHBondContact O-N 3.15Å
157	L	97.4	Very high	94.6	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-61.2	-43.8	172.7	178.6	61	0	0	0	111.1	W102 V103 V106 W123 L133 W145 R153 G154 R155 G160 A161	W102-L157 HydrophobicContact CD2-CD1 3.47Å; W102-L157 VanDerWaalsContact CD2-CD1 3.47Å; W102-L157 VanDerWaalsContact CE2-CD1 3.41Å; W102-L157 HydrophobicContact CE3-CD1 3.89Å; W102-L157 HydrophobicContact CG-CD1 3.89Å; W102-L157 HydrophobicContact CH2-CD1 4.21Å; W102-L157 HydrophobicContact CZ2-CD1 3.81Å; W102-L157 HydrophobicContact CZ3-CD1 4.24Å; V103-L157 HydrophobicContact CG2-CD2 4.24Å; V106-L157 HydrophobicContact CB-CD2 4.46Å; V106-L157 HydrophobicContact CG1-CB 4.43Å; V106-L157 HydrophobicContact CG1-CD2 4.41Å; V106-L157 HydrophobicContact CG2-CD1 4.46Å; W123-L157 HydrophobicContact CH2-CD2 4.3Å; W123-L157 HydrophobicContact CZ2-CD2 3.7Å; W123-L157 HydrophobicContact CZ2-CG 4.39Å; L133-L157 HydrophobicContact CD2-CG 4Å; W145-L157 HydrophobicContact CZ3-CD2 4.31Å; R153-L157 WeakPolarHBondContact O-CB 3.14Å; R153-L157 PolarHBondContact O-N 3.46Å; G154-L157 PolarHBondContact O-N 2.98Å; R155-L157 VanDerWaalsContact C-N 3.29Å; R155-L157 PolarHBondContact O-N 3.31Å; L157-G160 PolarHBondContact O-N 3.37Å; L157-A161 WeakPolarHBondContact O-CB 3.32Å; L157-A161 PolarHBondContact O-N 2.66Å
158	Q	97.2	Very high	95.1	Very high	3 Å²	3	48.8 Å²	48.8	1%	0.014	23%	0.228	C	C	.	.	H	α-helix	trans	-65.6	-46.2	172.4	176.9	177.1	64.7	0	0	112.9	L133 A136 S137 V141 G154 R155 G160 A161 R162	L133-Q158 HydrophobicContact CD1-CB 4.31Å; L133-Q158 HydrophobicContact CG-CB 4.46Å; L133-Q158 PolarHBondContact O-NE2 3.05Å; A136-Q158 PolarHBondContact O-NE2 3.45Å; S137-Q158 PolarHBondContact O-NE2 3.2Å; V141-Q158 HydrophobicContact CG2-CB 4.35Å; V141-Q158 HydrophobicContact CG2-CG 4.48Å; V141-Q158 VanDerWaalsContact CG2-NE2 3.32Å; G154-Q158 PolarHBondContact O-N 3.07Å; R155-Q158 WeakPolarHBondContact O-CB 3.36Å; R155-Q158 PolarHBondContact O-N 3.27Å; R155-Q158 VanDerWaalsContact O-N 3.16Å; Q158-G160 PolarHBondContact O-N 3.13Å; Q158-A161 PolarHBondContact O-N 2.86Å; Q158-A161 VanDerWaalsContact O-N 3.17Å; Q158-R162 PolarHBondContact O-N 2.75Å
159	E	96.4	Very high	95.4	Very high	68 Å²	68	51.3 Å²	51.3	32%	0.318	26%	0.257	S	S	.	.	H	α-helix	trans	-56.7	-41.2	176.7	-71.8	169	165.4	0	0	110.9	R155 R156 K163 P184	R155-E159 HydrophobicContact CG-CG 4.34Å; R155-E159 IonicContact CZ-OE1 3.15Å; R155-E159 IonicContact NE-OE1 2.65Å; R155-E159 PolarHBondContact NE-OE1 3.09Å; R155-E159 IonicContact NH2-OE1 2.64Å; R155-E159 PolarHBondContact NH2-OE1 3.16Å; R155-E159 WeakPolarHBondContact O-CG 3.37Å; R155-E159 PolarHBondContact O-N 3.12Å; R156-E159 PolarHBondContact O-N 3.5Å; E159-K163 PolarHBondContact O-N 2.98Å; E159-K163 VanDerWaalsContact O-N 3.1Å; E159-P184 HydrophobicContact CB-CG 4.2Å
160	G	97.9	Very high	95.7	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-71.4	-38.3	175.2	0	0	0	0	0	113.7	R156 L157 Q158 K163 V164 P184	R156-G160 PolarHBondContact O-N 3.15Å; L157-G160 PolarHBondContact O-N 3.37Å; Q158-G160 PolarHBondContact O-N 3.13Å; G160-K163 WeakPolarHBondContact O-CB 3.44Å; G160-K163 PolarHBondContact O-N 2.72Å; G160-V164 WeakPolarHBondContact O-CG2 3.39Å; G160-V164 PolarHBondContact O-N 2.73Å; G160-P184 VanDerWaalsContact CA-CG 3.47Å
161	A	98.1	Very high	96.2	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-62.9	-42.2	175.3	0	0	0	0	0	111.6	L130 L133 L157 Q158 V164 V165	L130-A161 HydrophobicContact CD2-CB 3.94Å; L133-A161 HydrophobicContact CB-CB 4.36Å; L133-A161 HydrophobicContact CD2-CB 3.81Å; L133-A161 HydrophobicContact CG-CB 4.05Å; L157-A161 WeakPolarHBondContact O-CB 3.32Å; L157-A161 PolarHBondContact O-N 2.66Å; Q158-A161 PolarHBondContact O-N 2.86Å; Q158-A161 VanDerWaalsContact O-N 3.17Å; A161-V164 PolarHBondContact O-N 2.81Å; A161-V165 WeakPolarHBondContact O-CG2 3.29Å; A161-V165 PolarHBondContact O-N 3.22Å
162	R	98.1	Very high	96.6	Very high	84 Å²	84	50.6 Å²	50.6	32%	0.317	25%	0.252	S	S	.	.	H	α-helix	trans	-57	-50.4	170.5	-74.1	-174.4	-173.9	152.7	6.2	111.4	A134 A136 Q158 V164 V165 E166	A134-R162 HydrophobicContact CB-CB 4.48Å; A134-R162 HydrophobicContact CB-CG 3.87Å; A134-R162 VanDerWaalsContact O-CG 3.3Å; A134-R162 WeakPolarHBondContact O-CG 3.33Å; A134-R162 PolarHBondContact O-NE 3.14Å; A136-R162 PolarHBondContact O-NH2 3.32Å; Q158-R162 PolarHBondContact O-N 2.75Å; R162-V164 VanDerWaalsContact C-N 3.32Å; R162-V164 PolarHBondContact O-N 3.13Å; R162-V165 PolarHBondContact O-N 3.39Å; R162-V165 VanDerWaalsContact O-N 3.07Å; R162-E166 WeakPolarHBondContact O-CB 3.48Å; R162-E166 WeakPolarHBondContact O-CG 3.35Å; R162-E166 PolarHBondContact O-N 3.02Å
163	K	98	Very high	96.9	Very high	55 Å²	55	48.1 Å²	48.1	24%	0.239	24%	0.235	C	C	.	.	H	α-helix	trans	-55.7	-43.4	177	-175.8	170.7	-173.6	-171.9	0	113.2	E159 G160 V165 E167 L168 L182	E159-K163 PolarHBondContact O-N 2.98Å; E159-K163 VanDerWaalsContact O-N 3.1Å; G160-K163 WeakPolarHBondContact O-CB 3.44Å; G160-K163 PolarHBondContact O-N 2.72Å; K163-V165 VanDerWaalsContact C-N 3.34Å; K163-V165 PolarHBondContact O-N 2.91Å; K163-E167 WeakPolarHBondContact CE-OE2 3.47Å; K163-E167 HydrophobicContact CG-CB 4.32Å; K163-E167 HydrophobicContact CG-CG 4.21Å; K163-E167 IonicContact NZ-OE2 2.68Å; K163-E167 WeakPolarHBondContact O-CA 3.38Å; K163-E167 WeakPolarHBondContact O-CB 3.31Å; K163-E167 PolarHBondContact O-N 2.76Å; K163-L168 PolarHBondContact O-N 3.34Å; K163-L182 WeakPolarHBondContact CD-O 3.19Å; K163-L182 WeakPolarHBondContact CE-O 3.4Å; K163-L182 PolarHBondContact NZ-O 3.05Å
164	V	98.3	Very high	97.1	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.5	-41.9	176.8	173.6	0	0	0	0	111.3	L130 G160 A161 R162 L168 G169 G170 M172 L183	L130-V164 HydrophobicContact CD1-CG1 4Å; G160-V164 WeakPolarHBondContact O-CG2 3.39Å; G160-V164 PolarHBondContact O-N 2.73Å; A161-V164 PolarHBondContact O-N 2.81Å; R162-V164 VanDerWaalsContact C-N 3.32Å; R162-V164 PolarHBondContact O-N 3.13Å; V164-L168 HydrophobicContact CG2-CD1 4.28Å; V164-L168 CarbonylContact O-C 3.24Å; V164-L168 VanDerWaalsContact O-C 3.24Å; V164-L168 WeakPolarHBondContact O-CA 3.15Å; V164-L168 WeakPolarHBondContact O-CB 3.48Å; V164-L168 PolarHBondContact O-N 2.87Å; V164-G169 PolarHBondContact O-N 3.06Å; V164-G170 WeakPolarHBondContact O-CA 3.43Å; V164-G170 PolarHBondContact O-N 2.92Å; V164-M172 HydrophobicContact CG1-SD 4.2Å; V164-M172 HydrophobicContact CG2-SD 3.92Å; V164-L183 HydrophobicContact CG2-CD2 3.42Å; V164-L183 VanDerWaalsContact CG2-CD2 3.42Å
165	V	98.2	Very high	97.3	Very high	45 Å²	45	54 Å²	54	27%	0.273	26%	0.262	S	S	.	.	H	α-helix	trans	-71.6	-44.5	179.9	174.5	0	0	0	0	112.3	L130 Q131 A134 A161 R162 K163	L130-V165 HydrophobicContact CB-CG2 4.21Å; Q131-V165 HydrophobicContact CG-CG1 4.47Å; Q131-V165 HydrophobicContact CG-CG2 4.05Å; A134-V165 HydrophobicContact CB-CB 4.23Å; A134-V165 HydrophobicContact CB-CG2 3.91Å; A161-V165 WeakPolarHBondContact O-CG2 3.29Å; A161-V165 PolarHBondContact O-N 3.22Å; R162-V165 PolarHBondContact O-N 3.39Å; R162-V165 VanDerWaalsContact O-N 3.07Å; K163-V165 VanDerWaalsContact C-N 3.34Å; K163-V165 PolarHBondContact O-N 2.91Å
166	E	98.1	Very high	97.5	Very high	142 Å²	142	50.5 Å²	50.5	66%	0.664	25%	0.251	S	S	*	.	H	α-helix	trans	-83.4	-41.3	-172.2	-66.7	169.5	-155.8	0	0	113.3	R162	R162-E166 WeakPolarHBondContact O-CB 3.48Å; R162-E166 WeakPolarHBondContact O-CG 3.35Å; R162-E166 PolarHBondContact O-N 3.02Å
167	E	98	Very high	97.7	Very high	133 Å²	133	49.4 Å²	49.4	62%	0.621	25%	0.251	S	S	*	.	H	α-helix	trans	-101.3	-27.5	-175.9	-60.4	179.4	-149.1	0	0	113.5	K163	K163-E167 WeakPolarHBondContact CE-OE2 3.47Å; K163-E167 HydrophobicContact CG-CB 4.32Å; K163-E167 HydrophobicContact CG-CG 4.21Å; K163-E167 IonicContact NZ-OE2 2.68Å; K163-E167 WeakPolarHBondContact O-CA 3.38Å; K163-E167 WeakPolarHBondContact O-CB 3.31Å; K163-E167 PolarHBondContact O-N 2.76Å
168	L	97.3	Very high	97.7	Very high	51 Å²	51	51.5 Å²	51.5	27%	0.267	26%	0.264	S	S	.	.	S	Bend	trans	-113.9	14.1	-174.1	-48.9	178.9	0	0	0	113.5	K163 V164 G170 H171 P173 L182	K163-L168 PolarHBondContact O-N 3.34Å; V164-L168 HydrophobicContact CG2-CD1 4.28Å; V164-L168 CarbonylContact O-C 3.24Å; V164-L168 VanDerWaalsContact O-C 3.24Å; V164-L168 WeakPolarHBondContact O-CA 3.15Å; V164-L168 WeakPolarHBondContact O-CB 3.48Å; V164-L168 PolarHBondContact O-N 2.87Å; L168-G170 PolarHBondContact O-N 3.16Å; L168-H171 PolarHBondContact O-N 3.41Å; L168-H171 VanDerWaalsContact O-N 3.13Å; L168-P173 HydrophobicContact CD1-CG 3.75Å; L168-L182 HydrophobicContact CD1-CD1 4.24Å; L168-L182 HydrophobicContact CD2-CD1 4.43Å
169	G	96.5	Very high	97.8	Very high	63 Å²	63	51.4 Å²	51.4	65%	0.649	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	17	176	0	0	0	0	0	115	V164	V164-G169 PolarHBondContact O-N 3.06Å
170	G	96.2	Very high	97.9	Very high	7 Å²	7	52.7 Å²	52.7	7%	0.072	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.5	3.4	-175.3	0	0	0	0	0	114.9	V164 L168	V164-G170 WeakPolarHBondContact O-CA 3.43Å; V164-G170 PolarHBondContact O-N 2.92Å; L168-G170 PolarHBondContact O-N 3.16Å
171	H	97.8	Very high	97.9	Very high	113 Å²	113	60 Å²	60	52%	0.523	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-96.1	124.9	177.3	-66.6	-59.1	0	0	0	112	D95 L168	D95-H171 WeakPolarHBondContact OD1-CA 3.21Å; D95-H171 IonicContact OD2-CE1 3.45Å; D95-H171 IonicContact OD2-CG 3.68Å; D95-H171 IonicContact OD2-ND1 3.47Å; D95-H171 PolarHBondContact OD2-ND1 3.47Å; L168-H171 PolarHBondContact O-N 3.41Å; L168-H171 VanDerWaalsContact O-N 3.13Å
172	M	98	Very high	97.9	Very high	4 Å²	4	62.5 Å²	62.5	2%	0.02	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-65.6	134.6	174.3	-73	-72.3	-74.4	0	0	110.5	D95 A98 W102 L130 V164 R174 L179 L183 I194 F199	D95-M172 WeakPolarHBondContact OD1-CB 3.33Å; D95-M172 PolarHBondContact OD1-N 3.42Å; A98-M172 HydrophobicContact CB-CB 4.2Å; A98-M172 HydrophobicContact CB-CE 4.2Å; A98-M172 HydrophobicContact CB-CG 4.08Å; W102-M172 HydrophobicContact CD2-CE 4.23Å; W102-M172 HydrophobicContact CE3-CE 3.63Å; W102-M172 HydrophobicContact CE3-SD 4Å; W102-M172 HydrophobicContact CZ3-CE 4.16Å; W102-M172 HydrophobicContact CZ3-SD 4.03Å; L130-M172 HydrophobicContact CD1-CG 3.67Å; L130-M172 HydrophobicContact CD1-SD 3.84Å; L130-M172 HydrophobicContact CD2-SD 4.13Å; V164-M172 HydrophobicContact CG1-SD 4.2Å; V164-M172 HydrophobicContact CG2-SD 3.92Å; M172-R174 PolarHBondContact O-N 2.89Å; M172-R174 PolarHBondContact O-NH1 3.33Å; M172-R174 VanDerWaalsContact O-NH1 3.1Å; M172-L179 HydrophobicContact CE-CD2 3.97Å; M172-L183 HydrophobicContact CE-CD1 3.97Å; M172-L183 HydrophobicContact SD-CD1 4.43Å; M172-I194 HydrophobicContact CE-CG2 4.45Å; M172-F199 HydrophobicContact CB-CZ 3.94Å
173	P	97.9	Very high	97.8	Very high	13 Å²	13	58.7 Å²	58.7	8%	0.084	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-52.8	135.7	169.3	-22.5	30.9	0	0	0	111.1	L168 T178 L179 L182 L183 F199	L168-P173 HydrophobicContact CD1-CG 3.75Å; P173-T178 WeakPolarHBondContact CB-OG1 3.36Å; P173-L179 HydrophobicContact CB-CD2 4Å; P173-L179 HydrophobicContact CB-CG 4.06Å; P173-L179 HydrophobicContact CG-CD2 4.25Å; P173-L179 VanDerWaalsContact O-CD2 3.27Å; P173-L179 WeakPolarHBondContact O-CD2 3.39Å; P173-L179 WeakPolarHBondContact O-CG 3.22Å; P173-L182 HydrophobicContact CB-CD1 4.28Å; P173-L182 HydrophobicContact CG-CB 4.27Å; P173-L182 HydrophobicContact CG-CD1 3.86Å; P173-L183 HydrophobicContact CG-CD2 4.35Å; P173-L183 HydrophobicContact CG-CG 4.46Å; P173-F199 WeakPolarHBondContact O-CE2 3.26Å
174	R	97.3	Very high	97.6	Very high	92 Å²	92	58.2 Å²	58.2	35%	0.347	31%	0.305	S	S	.	.	S	Bend	trans	-90.7	-8.7	-167.8	-61.4	-62.7	-176.2	-132.3	-4.8	115	D95 M172 F199	D95-R174 IonicContact OD1-CZ 3.87Å; D95-R174 VanDerWaalsContact OD1-CZ 3.27Å; D95-R174 IonicContact OD1-NH1 2.7Å; D95-R174 PolarHBondContact OD1-NH1 2.82Å; D95-R174 IonicContact OD1-NH2 2.94Å; D95-R174 PolarHBondContact OD1-NH2 2.93Å; D95-R174 IonicContact OD2-CZ 3.24Å; D95-R174 IonicContact OD2-NH1 3.66Å; D95-R174 IonicContact OD2-NH2 2.95Å; D95-R174 PolarHBondContact OD2-NH2 3.17Å; M172-R174 PolarHBondContact O-N 2.89Å; M172-R174 PolarHBondContact O-NH1 3.33Å; M172-R174 VanDerWaalsContact O-NH1 3.1Å; R174-F199 WeakPolarHBondContact O-CD2 3.34Å
175	T	98.5	Very high	97.2	Very high	47 Å²	47	60.5 Å²	60.5	29%	0.288	33%	0.329	S	S	.	.	S	Bend	trans	-124.5	154	-178.1	86.9	0	0	0	0	111.9	E177 T178 L179 Q201	T175-E177 WeakPolarHBondContact CB-OE2 3.32Å; T175-E177 PolarHBondContact O-N 3.35Å; T175-E177 PolarHBondContact OG1-N 2.83Å; T175-E177 PolarHBondContact OG1-OE2 2.79Å; T175-T178 PolarHBondContact N-OG1 3.47Å; T175-T178 PolarHBondContact O-N 2.76Å; T175-T178 PolarHBondContact O-OG1 2.69Å; T175-T178 PolarHBondContact OG1-N 3.23Å; T175-T178 PolarHBondContact OG1-OG1 3.17Å; T175-L179 WeakPolarHBondContact O-CB 3.39Å; T175-L179 VanDerWaalsContact O-CG 3.25Å; T175-L179 WeakPolarHBondContact O-CG 3.38Å; T175-L179 PolarHBondContact O-N 2.86Å; T175-Q201 VanDerWaalsContact CA-OE1 3.23Å
176	A	98.5	Very high	97.1	Very high	8 Å²	8	58.8 Å²	58.8	7%	0.066	32%	0.318	C	S	.	.	H	α-helix	trans	-57	-38.2	176.9	0	0	0	0	0	112.1	Q180 A191 A195 T203	A176-Q180 WeakPolarHBondContact O-CB 3.33Å; A176-Q180 PolarHBondContact O-N 3.24Å; A176-A191 HydrophobicContact CB-CB 4.28Å; A176-A191 VanDerWaalsContact O-CB 3.3Å; A176-A191 WeakPolarHBondContact O-CB 3.31Å; A176-A195 HydrophobicContact CB-CB 4.03Å; A176-T203 HydrophobicContact CB-CG2 4.24Å
177	E	98.3	Very high	96.9	Very high	108 Å²	108	53.8 Å²	53.8	51%	0.505	31%	0.305	S	S	.	.	H	α-helix	trans	-63.1	-48.3	177.5	-55.6	71	-153	0	0	110.7	T175 Q180 Q181 Q201	T175-E177 WeakPolarHBondContact CB-OE2 3.32Å; T175-E177 PolarHBondContact O-N 3.35Å; T175-E177 PolarHBondContact OG1-N 2.83Å; T175-E177 PolarHBondContact OG1-OE2 2.79Å; E177-Q180 PolarHBondContact O-N 3.29Å; E177-Q181 VanDerWaalsContact O-CB 3.26Å; E177-Q181 WeakPolarHBondContact O-CB 3.25Å; E177-Q181 PolarHBondContact O-N 3.13Å; E177-Q201 PolarHBondContact OE2-NE2 3.39Å
178	T	98.2	Very high	96.9	Very high	46 Å²	46	52.7 Å²	52.7	28%	0.282	30%	0.295	S	S	.	.	H	α-helix	trans	-72.9	-36.2	-178.3	53.6	0	0	0	0	112.4	P173 T175 Q181 L182	P173-T178 WeakPolarHBondContact CB-OG1 3.36Å; T175-T178 PolarHBondContact N-OG1 3.47Å; T175-T178 PolarHBondContact O-N 2.76Å; T175-T178 PolarHBondContact O-OG1 2.69Å; T175-T178 PolarHBondContact OG1-N 3.23Å; T175-T178 PolarHBondContact OG1-OG1 3.17Å; T178-Q181 PolarHBondContact O-N 2.93Å; T178-L182 VanDerWaalsContact O-CB 3.22Å; T178-L182 WeakPolarHBondContact O-CB 3.3Å; T178-L182 VanDerWaalsContact O-CG 3.25Å; T178-L182 WeakPolarHBondContact O-CG 3.46Å; T178-L182 PolarHBondContact O-N 2.87Å
179	L	98.5	Very high	97	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-61.3	-47.9	171.2	-74.3	164.8	0	0	0	111.6	M172 P173 T175 L183 A191 I194 A195 F199	M172-L179 HydrophobicContact CE-CD2 3.97Å; P173-L179 HydrophobicContact CB-CD2 4Å; P173-L179 HydrophobicContact CB-CG 4.06Å; P173-L179 HydrophobicContact CG-CD2 4.25Å; P173-L179 VanDerWaalsContact O-CD2 3.27Å; P173-L179 WeakPolarHBondContact O-CD2 3.39Å; P173-L179 WeakPolarHBondContact O-CG 3.22Å; T175-L179 WeakPolarHBondContact O-CB 3.39Å; T175-L179 VanDerWaalsContact O-CG 3.25Å; T175-L179 WeakPolarHBondContact O-CG 3.38Å; T175-L179 PolarHBondContact O-N 2.86Å; L179-L183 HydrophobicContact CD2-CD1 3.58Å; L179-L183 HydrophobicContact CD2-CG 4.46Å; L179-L183 WeakPolarHBondContact O-CB 3.47Å; L179-L183 PolarHBondContact O-N 3.48Å; L179-L183 VanDerWaalsContact O-N 3.12Å; L179-A191 HydrophobicContact CB-CB 3.97Å; L179-I194 HydrophobicContact CD1-CB 3.93Å; L179-I194 HydrophobicContact CD1-CG2 3.73Å; L179-I194 HydrophobicContact CD2-CG2 4.28Å; L179-A195 HydrophobicContact CD1-CB 4Å; L179-F199 HydrophobicContact CD1-CE2 4.43Å
180	Q	98.1	Very high	97	Very high	95 Å²	95	49.5 Å²	49.5	44%	0.444	26%	0.261	S	S	.	.	H	α-helix	trans	-66.8	-37.2	178.9	-175.2	-179.9	-29.5	0	0	112.4	A176 E177 R188 A191	A176-Q180 WeakPolarHBondContact O-CB 3.33Å; A176-Q180 PolarHBondContact O-N 3.24Å; E177-Q180 PolarHBondContact O-N 3.29Å; Q180-R188 VanDerWaalsContact OE1-CA 3.25Å; Q180-A191 HydrophobicContact CB-CB 3.8Å
181	Q	97.7	Very high	97.1	Very high	155 Å²	155	49.2 Å²	49.2	72%	0.724	26%	0.257	S	S	*	.	H	α-helix	trans	-74.4	-40.9	-179.8	-178.9	-179.9	-11.1	0	0	112.5	E177 T178	E177-Q181 VanDerWaalsContact O-CB 3.26Å; E177-Q181 WeakPolarHBondContact O-CB 3.25Å; E177-Q181 PolarHBondContact O-N 3.13Å; T178-Q181 PolarHBondContact O-N 2.93Å
182	L	97.7	Very high	97.2	Very high	51 Å²	51	43.9 Å²	43.9	27%	0.267	23%	0.233	S	C	.	.	H	α-helix	trans	-92.9	-32.8	-168.5	-62.1	174	0	0	0	113.5	K163 L168 P173 T178	K163-L182 WeakPolarHBondContact CD-O 3.19Å; K163-L182 WeakPolarHBondContact CE-O 3.4Å; K163-L182 PolarHBondContact NZ-O 3.05Å; L168-L182 HydrophobicContact CD1-CD1 4.24Å; L168-L182 HydrophobicContact CD2-CD1 4.43Å; P173-L182 HydrophobicContact CB-CD1 4.28Å; P173-L182 HydrophobicContact CG-CB 4.27Å; P173-L182 HydrophobicContact CG-CD1 3.86Å; T178-L182 VanDerWaalsContact O-CB 3.22Å; T178-L182 WeakPolarHBondContact O-CB 3.3Å; T178-L182 VanDerWaalsContact O-CG 3.25Å; T178-L182 WeakPolarHBondContact O-CG 3.46Å; T178-L182 PolarHBondContact O-N 2.87Å
183	L	97	Very high	97.2	Very high	5 Å²	5	43.7 Å²	43.7	3%	0.026	23%	0.232	C	C	.	.	S	Bend	trans	-96.6	124.7	-169.6	-55.2	-173	0	0	0	113.1	W102 V164 M172 P173 L179 G185 V186	W102-L183 HydrophobicContact CE3-CD1 4.5Å; W102-L183 HydrophobicContact CH2-CD1 3.94Å; W102-L183 HydrophobicContact CH2-CD2 4.45Å; W102-L183 HydrophobicContact CZ2-CB 4.28Å; W102-L183 HydrophobicContact CZ2-CD1 4.05Å; W102-L183 HydrophobicContact CZ3-CD1 4.19Å; V164-L183 HydrophobicContact CG2-CD2 3.42Å; V164-L183 VanDerWaalsContact CG2-CD2 3.42Å; M172-L183 HydrophobicContact CE-CD1 3.97Å; M172-L183 HydrophobicContact SD-CD1 4.43Å; P173-L183 HydrophobicContact CG-CD2 4.35Å; P173-L183 HydrophobicContact CG-CG 4.46Å; L179-L183 HydrophobicContact CD2-CD1 3.58Å; L179-L183 HydrophobicContact CD2-CG 4.46Å; L179-L183 WeakPolarHBondContact O-CB 3.47Å; L179-L183 PolarHBondContact O-N 3.48Å; L179-L183 VanDerWaalsContact O-N 3.12Å; L183-G185 PolarHBondContact O-N 3.41Å; L183-V186 HydrophobicContact CB-CB 3.94Å; L183-V186 HydrophobicContact CB-CG2 3.54Å; L183-V186 HydrophobicContact CD1-CG2 4.23Å; L183-V186 PolarHBondContact O-N 2.96Å
184	P	92.8	Very high	97.2	Very high	44 Å²	44	43 Å²	43	29%	0.286	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	131.2	-179.2	27.2	-34.8	0	0	0	111.7	E159 G160 V186	E159-P184 HydrophobicContact CB-CG 4.2Å; G160-P184 VanDerWaalsContact CA-CG 3.47Å; P184-V186 VanDerWaalsContact C-N 3.25Å; P184-V186 PolarHBondContact O-N 3.1Å
185	G	89.8	Confident	97.3	Very high	48 Å²	48	38.7 Å²	38.7	50%	0.495	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	79	-2.6	180	0	0	0	0	0	115.4	L183 G187	L183-G185 PolarHBondContact O-N 3.41Å; G185-G187 PolarHBondContact O-N 2.85Å
186	V	96.2	Very high	97.3	Very high	9 Å²	9	36.4 Å²	36.4	6%	0.055	20%	0.198	C	C	.	.			trans	-84.7	103.9	175.3	177.5	0	0	0	0	109.7	W102 L183 P184 T190 A191	W102-V186 HydrophobicContact CZ2-CG2 3.95Å; L183-V186 HydrophobicContact CB-CB 3.94Å; L183-V186 HydrophobicContact CB-CG2 3.54Å; L183-V186 HydrophobicContact CD1-CG2 4.23Å; L183-V186 PolarHBondContact O-N 2.96Å; P184-V186 VanDerWaalsContact C-N 3.25Å; P184-V186 PolarHBondContact O-N 3.1Å; V186-T190 HydrophobicContact CG1-CG2 4.19Å; V186-T190 HydrophobicContact CG2-CG2 4.45Å; V186-A191 HydrophobicContact CG1-CB 3.8Å
187	G	95.7	Very high	97.3	Very high	37 Å²	37	36.9 Å²	36.9	38%	0.381	20%	0.199	S	C	.	.			trans	-86	172.5	171.5	0	0	0	0	0	112.8	G185 Y189 T190 A191	G185-G187 PolarHBondContact O-N 2.85Å; G187-Y189 PolarHBondContact O-N 2.8Å; G187-T190 PolarHBondContact O-N 3.2Å; G187-A191 PolarHBondContact O-N 3.18Å
188	R	97.6	Very high	97.3	Very high	110 Å²	110	31.9 Å²	31.9	42%	0.415	18%	0.176	S	C	.	.	H	α-helix	trans	-44.6	-42.9	-179.7	-169.2	-175.3	180	177.2	3.1	114.1	Q180 G192 W234	Q180-R188 VanDerWaalsContact OE1-CA 3.25Å; R188-G192 PolarHBondContact O-N 2.96Å; R188-W234 HydrophobicContact CB-CH2 4.1Å; R188-W234 HydrophobicContact CB-CZ2 4.27Å; R188-W234 HydrophobicContact CG-CE3 4.36Å; R188-W234 HydrophobicContact CG-CH2 3.63Å; R188-W234 HydrophobicContact CG-CZ2 4.04Å; R188-W234 HydrophobicContact CG-CZ3 3.78Å; R188-W234 VanDerWaalsContact CZ-CD2 3.46Å; R188-W234 VanDerWaalsContact CZ-CE3 3.47Å; R188-W234 VanDerWaalsContact NE-CE3 3.27Å; R188-W234 VanDerWaalsContact NH1-CG 3.26Å
189	Y	98	Very high	97.3	Very high	45 Å²	45	31.5 Å²	31.5	18%	0.176	17%	0.17	C	C	.	.	H	α-helix	trans	-59.3	-59.8	175.6	170.1	-97.6	0	0	0	112.7	E105 G187 A191 G192 A193 V205 D207 M254	E105-Y189 WeakPolarHBondContact OE2-CE1 3.47Å; E105-Y189 PolarHBondContact OE2-OH 3.24Å; G187-Y189 PolarHBondContact O-N 2.8Å; Y189-A191 VanDerWaalsContact C-N 3.29Å; Y189-A191 PolarHBondContact O-N 3.41Å; Y189-G192 PolarHBondContact O-N 2.68Å; Y189-A193 WeakPolarHBondContact O-CB 3.39Å; Y189-A193 PolarHBondContact O-N 3.31Å; Y189-V205 HydrophobicContact CD2-CB 4.14Å; Y189-V205 HydrophobicContact CE2-CB 4.26Å; Y189-V205 HydrophobicContact CE2-CG2 4.26Å; Y189-D207 HydrophobicContact CD2-CB 3.97Å; Y189-D207 HydrophobicContact CE2-CB 3.56Å; Y189-M254 HydrophobicContact CE2-CE 3.85Å; Y189-M254 WeakPolarHBondContact OH-CE 3.38Å; Y189-M254 PolarHBondContact OH-SD 3.09Å
190	T	97.9	Very high	97.2	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.018	20%	0.195	C	C	.	.	H	α-helix	trans	-65.4	-34.8	-176.2	-60.5	0	0	0	0	111.5	E105 V106 Q109 V186 G187 A193 I194	E105-T190 HydrophobicContact CB-CG2 4.13Å; V106-T190 HydrophobicContact CG2-CG2 4.44Å; Q109-T190 PolarHBondContact NE2-OG1 3.37Å; V186-T190 HydrophobicContact CG1-CG2 4.19Å; V186-T190 HydrophobicContact CG2-CG2 4.45Å; G187-T190 PolarHBondContact O-N 3.2Å; T190-A193 PolarHBondContact O-N 2.93Å; T190-I194 HydrophobicContact CG2-CD1 3.81Å; T190-I194 HydrophobicContact CG2-CG1 4.44Å; T190-I194 WeakPolarHBondContact O-CD1 3.45Å; T190-I194 VanDerWaalsContact O-CG1 3.24Å; T190-I194 WeakPolarHBondContact O-CG1 3.39Å; T190-I194 PolarHBondContact O-N 3.38Å
191	A	98.5	Very high	97.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.1	-50	174	0	0	0	0	0	112.5	A176 L179 Q180 V186 G187 Y189 A193 A195	A176-A191 HydrophobicContact CB-CB 4.28Å; A176-A191 VanDerWaalsContact O-CB 3.3Å; A176-A191 WeakPolarHBondContact O-CB 3.31Å; L179-A191 HydrophobicContact CB-CB 3.97Å; Q180-A191 HydrophobicContact CB-CB 3.8Å; V186-A191 HydrophobicContact CG1-CB 3.8Å; G187-A191 PolarHBondContact O-N 3.18Å; Y189-A191 VanDerWaalsContact C-N 3.29Å; Y189-A191 PolarHBondContact O-N 3.41Å; A191-A193 VanDerWaalsContact C-N 3.35Å; A191-A193 PolarHBondContact O-N 3.02Å; A191-A195 VanDerWaalsContact O-CB 3.31Å; A191-A195 WeakPolarHBondContact O-CB 3.42Å; A191-A195 PolarHBondContact O-N 2.76Å
192	G	98.5	Very high	97.3	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.01	17%	0.167	C	C	.	.	H	α-helix	trans	-65.9	-35.4	177.3	0	0	0	0	0	113.1	R188 Y189 A195 S196 V205	R188-G192 PolarHBondContact O-N 2.96Å; Y189-G192 PolarHBondContact O-N 2.68Å; G192-A195 PolarHBondContact O-N 2.77Å; G192-S196 VanDerWaalsContact O-CB 3.31Å; G192-S196 WeakPolarHBondContact O-CB 3.41Å; G192-S196 PolarHBondContact O-N 2.77Å; G192-S196 PolarHBondContact O-OG 3.1Å; G192-V205 VanDerWaalsContact C-CG1 3.41Å
193	A	98.3	Very high	97.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-64.8	-49.2	176.9	0	0	0	0	0	111.1	E105 Y189 T190 A191 S196 I197 V205	E105-A193 HydrophobicContact CG-CB 3.94Å; Y189-A193 WeakPolarHBondContact O-CB 3.39Å; Y189-A193 PolarHBondContact O-N 3.31Å; T190-A193 PolarHBondContact O-N 2.93Å; A191-A193 VanDerWaalsContact C-N 3.35Å; A191-A193 PolarHBondContact O-N 3.02Å; A193-S196 PolarHBondContact O-OG 3.02Å; A193-I197 VanDerWaalsContact O-CB 3.26Å; A193-I197 WeakPolarHBondContact O-CB 3.28Å; A193-I197 WeakPolarHBondContact O-CD1 3.12Å; A193-I197 WeakPolarHBondContact O-CG1 3.07Å; A193-I197 PolarHBondContact O-N 2.97Å; A193-V205 HydrophobicContact CB-CG1 4.47Å
194	I	98.5	Very high	97.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.6	-49.2	174.6	-64.2	160.2	0	0	0	110.6	A98 V101 W102 M172 L179 T190 S196 I197 A198 F199	A98-I194 HydrophobicContact CB-CG2 3.99Å; V101-I194 HydrophobicContact CG1-CG1 4.16Å; W102-I194 HydrophobicContact CB-CD1 3.57Å; W102-I194 HydrophobicContact CB-CG1 3.99Å; W102-I194 HydrophobicContact CD2-CD1 4.48Å; W102-I194 HydrophobicContact CG-CD1 3.61Å; M172-I194 HydrophobicContact CE-CG2 4.45Å; L179-I194 HydrophobicContact CD1-CB 3.93Å; L179-I194 HydrophobicContact CD1-CG2 3.73Å; L179-I194 HydrophobicContact CD2-CG2 4.28Å; T190-I194 HydrophobicContact CG2-CD1 3.81Å; T190-I194 HydrophobicContact CG2-CG1 4.44Å; T190-I194 WeakPolarHBondContact O-CD1 3.45Å; T190-I194 VanDerWaalsContact O-CG1 3.24Å; T190-I194 WeakPolarHBondContact O-CG1 3.39Å; T190-I194 PolarHBondContact O-N 3.38Å; I194-S196 PolarHBondContact O-N 2.83Å; I194-I197 PolarHBondContact O-N 3.23Å; I194-A198 VanDerWaalsContact O-CB 3.22Å; I194-A198 WeakPolarHBondContact O-CB 3.38Å; I194-A198 PolarHBondContact O-N 3.16Å; I194-F199 HydrophobicContact CG2-CE2 4.21Å
195	A	98.7	Very high	97.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-65	-40.3	-174.3	0	0	0	0	0	113.3	A176 L179 A191 G192 F199 D200 Q201 T203	A176-A195 HydrophobicContact CB-CB 4.03Å; L179-A195 HydrophobicContact CD1-CB 4Å; A191-A195 VanDerWaalsContact O-CB 3.31Å; A191-A195 WeakPolarHBondContact O-CB 3.42Å; A191-A195 PolarHBondContact O-N 2.76Å; G192-A195 PolarHBondContact O-N 2.77Å; A195-F199 CarbonylContact O-C 3.31Å; A195-F199 VanDerWaalsContact O-C 3.31Å; A195-F199 WeakPolarHBondContact O-CA 3.28Å; A195-F199 WeakPolarHBondContact O-CB 3.44Å; A195-F199 PolarHBondContact O-N 3.3Å; A195-F199 VanDerWaalsContact O-N 3.17Å; A195-D200 PolarHBondContact O-N 3.5Å; A195-Q201 HydrophobicContact CB-CB 3.96Å; A195-Q201 VanDerWaalsContact CB-OE1 3.26Å; A195-Q201 PolarHBondContact O-N 3.46Å; A195-T203 HydrophobicContact CB-CG2 4.27Å
196	S	98.6	Very high	98.1	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-75.7	-37.6	178.2	58.8	0	0	0	0	113.5	G192 A193 I194 D200 Q201 G247 N250	G192-S196 VanDerWaalsContact O-CB 3.31Å; G192-S196 WeakPolarHBondContact O-CB 3.41Å; G192-S196 PolarHBondContact O-N 2.77Å; G192-S196 PolarHBondContact O-OG 3.1Å; A193-S196 PolarHBondContact O-OG 3.02Å; I194-S196 PolarHBondContact O-N 2.83Å; S196-D200 WeakPolarHBondContact O-CA 3.29Å; S196-Q201 WeakPolarHBondContact CA-O 3.49Å; S196-Q201 WeakPolarHBondContact CB-O 3.39Å; S196-G247 VanDerWaalsContact C-CA 3.47Å; S196-G247 WeakPolarHBondContact O-CA 3.39Å; S196-G247 PolarHBondContact O-N 3.27Å; S196-G247 VanDerWaalsContact O-N 3.15Å; S196-N250 VanDerWaalsContact CB-ND2 3.27Å; S196-N250 WeakPolarHBondContact CB-ND2 3.39Å; S196-N250 PolarHBondContact OG-ND2 3.39Å
197	I	98.3	Very high	98	Very high	18 Å²	18	25.1 Å²	25.1	9%	0.092	13%	0.133	C	C	.	.	H	α-helix	trans	-83.5	-34.4	-177	-59.4	167.9	0	0	0	112.2	A88 V101 A193 I194 Q251	A88-I197 HydrophobicContact CB-CG2 4.31Å; V101-I197 HydrophobicContact CG1-CB 4.16Å; V101-I197 HydrophobicContact CG1-CD1 4.17Å; V101-I197 HydrophobicContact CG1-CG2 4.3Å; V101-I197 HydrophobicContact CG2-CB 4.28Å; V101-I197 HydrophobicContact CG2-CG2 3.66Å; A193-I197 VanDerWaalsContact O-CB 3.26Å; A193-I197 WeakPolarHBondContact O-CB 3.28Å; A193-I197 WeakPolarHBondContact O-CD1 3.12Å; A193-I197 WeakPolarHBondContact O-CG1 3.07Å; A193-I197 PolarHBondContact O-N 2.97Å; I194-I197 PolarHBondContact O-N 3.23Å; I197-Q251 HydrophobicContact CD1-CG 3.65Å; I197-Q251 HydrophobicContact CG1-CG 4.08Å
198	A	98.1	Very high	98	Very high	2 Å²	2	25.6 Å²	25.6	2%	0.017	14%	0.137	C	C	.	.	H	α-helix	trans	-100.8	-26.6	-174.9	0	0	0	0	0	114.6	R97 A98 I194	R97-A198 HydrophobicContact CG-CB 4.11Å; A98-A198 HydrophobicContact CB-CB 3.7Å; I194-A198 VanDerWaalsContact O-CB 3.22Å; I194-A198 WeakPolarHBondContact O-CB 3.38Å; I194-A198 PolarHBondContact O-N 3.16Å
199	F	98.2	Very high	97.9	Very high	39 Å²	39	22.5 Å²	22.5	17%	0.171	13%	0.129	C	C	.	.	H	α-helix	trans	-127.4	10	-175.1	-48.1	-50.5	0	0	0	113.8	S94 A98 M172 P173 R174 L179 I194 A195 Q201	S94-F199 WeakPolarHBondContact O-CE1 3.16Å; A98-F199 HydrophobicContact CB-CE1 3.77Å; A98-F199 HydrophobicContact CB-CE2 3.96Å; A98-F199 HydrophobicContact CB-CZ 3.25Å; M172-F199 HydrophobicContact CB-CZ 3.94Å; P173-F199 WeakPolarHBondContact O-CE2 3.26Å; R174-F199 WeakPolarHBondContact O-CD2 3.34Å; L179-F199 HydrophobicContact CD1-CE2 4.43Å; I194-F199 HydrophobicContact CG2-CE2 4.21Å; A195-F199 CarbonylContact O-C 3.31Å; A195-F199 VanDerWaalsContact O-C 3.31Å; A195-F199 WeakPolarHBondContact O-CA 3.28Å; A195-F199 WeakPolarHBondContact O-CB 3.44Å; A195-F199 PolarHBondContact O-N 3.3Å; A195-F199 VanDerWaalsContact O-N 3.17Å; F199-Q201 PolarHBondContact O-N 2.88Å
200	D	97.6	Very high	97.9	Very high	97 Å²	97	20.6 Å²	20.6	52%	0.519	12%	0.122	S	C	.	.			trans	53.1	26.5	178.8	-57.4	-62	0	0	0	114.7	A195 S196 V202 P246	A195-D200 PolarHBondContact O-N 3.5Å; S196-D200 WeakPolarHBondContact O-CA 3.29Å; D200-V202 PolarHBondContact O-N 3.43Å; D200-P246 HydrophobicContact CB-CG 4.46Å; D200-P246 WeakPolarHBondContact O-CG 3.39Å
201	Q	98.5	Very high	97.9	Very high	47 Å²	47	22.3 Å²	22.3	22%	0.22	13%	0.131	C	C	.	.			trans	-67.8	129.6	174.7	-169.4	-175.1	5.6	0	0	109.9	T175 E177 A195 S196 F199 T203 P246	T175-Q201 VanDerWaalsContact CA-OE1 3.23Å; E177-Q201 PolarHBondContact OE2-NE2 3.39Å; A195-Q201 HydrophobicContact CB-CB 3.96Å; A195-Q201 VanDerWaalsContact CB-OE1 3.26Å; A195-Q201 PolarHBondContact O-N 3.46Å; S196-Q201 WeakPolarHBondContact CA-O 3.49Å; S196-Q201 WeakPolarHBondContact CB-O 3.39Å; F199-Q201 PolarHBondContact O-N 2.88Å; Q201-T203 HydrophobicContact CB-CG2 4.44Å; Q201-T203 HydrophobicContact CG-CG2 4.46Å; Q201-T203 PolarHBondContact O-N 3.41Å; Q201-P246 WeakPolarHBondContact O-CB 3.5Å
202	V	98.7	Very high	97.9	Very high	60 Å²	60	23.5 Å²	23.5	36%	0.364	14%	0.135	S	C	.	.			trans	-73.2	76.6	177.5	-171.2	0	0	0	0	110.8	D200 Q238 V241 P243 P246	D200-V202 PolarHBondContact O-N 3.43Å; V202-Q238 PolarHBondContact O-NE2 2.91Å; V202-V241 HydrophobicContact CG1-CG1 3.81Å; V202-P243 HydrophobicContact CG1-CB 4.37Å; V202-P243 HydrophobicContact CG2-CB 4.4Å; V202-P246 HydrophobicContact CG2-CG 4.34Å
203	T	98.6	Very high	97.9	Very high	18 Å²	18	23.6 Å²	23.6	11%	0.11	14%	0.136	C	C	.	.			trans	-131.3	126.8	178.2	-173.4	0	0	0	0	110.7	A176 A195 Q201 N250	A176-T203 HydrophobicContact CB-CG2 4.24Å; A195-T203 HydrophobicContact CB-CG2 4.27Å; Q201-T203 HydrophobicContact CB-CG2 4.44Å; Q201-T203 HydrophobicContact CG-CG2 4.46Å; Q201-T203 PolarHBondContact O-N 3.41Å; T203-N250 PolarHBondContact O-ND2 3.24Å
204	G	98.4	Very high	97.9	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.01	14%	0.137	C	C	.	.			trans	-81.7	143	178.9	0	0	0	0	0	111.8	W234	G204-W234 VanDerWaalsContact O-CZ3 3.25Å; G204-W234 WeakPolarHBondContact O-CZ3 3.49Å
205	V	98.5	Very high	97.8	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.006	14%	0.137	C	C	.	.			trans	-116.5	149.6	178.9	-57	0	0	0	0	112.7	Y189 G192 A193 V210 N250 M254	Y189-V205 HydrophobicContact CD2-CB 4.14Å; Y189-V205 HydrophobicContact CE2-CB 4.26Å; Y189-V205 HydrophobicContact CE2-CG2 4.26Å; G192-V205 VanDerWaalsContact C-CG1 3.41Å; A193-V205 HydrophobicContact CB-CG1 4.47Å; V205-V210 WeakPolarHBondContact O-CG1 3.47Å; V205-N250 HydrophobicContact CG2-CB 3.7Å; V205-N250 PolarHBondContact N-OD1 2.93Å; V205-M254 HydrophobicContact CG2-CE 3.42Å; V205-M254 VanDerWaalsContact CG2-CE 3.42Å
206	V	98	Very high	97.8	Very high	15 Å²	15	24 Å²	24	9%	0.091	14%	0.137	C	C	.	.			trans	-130.2	109.8	175.6	-174.3	0	0	0	0	110.5	L211 W234 A237	V206-L211 HydrophobicContact CG1-CB 3.84Å; V206-W234 HydrophobicContact CB-CD2 4.08Å; V206-W234 HydrophobicContact CB-CE3 4.46Å; V206-W234 HydrophobicContact CB-CH2 4.44Å; V206-W234 HydrophobicContact CB-CZ2 4.02Å; V206-W234 HydrophobicContact CG2-CD2 3.81Å; V206-W234 HydrophobicContact CG2-CE3 4.04Å; V206-W234 HydrophobicContact CG2-CG 4.09Å; V206-A237 HydrophobicContact CG2-CB 3.63Å
207	D	95.7	Very high	97.8	Very high	34 Å²	34	24.1 Å²	24.1	18%	0.182	14%	0.139	C	C	.	.			trans	-103.9	-172.2	164.5	87.2	-47.6	0	0	0	110.6	Y189 N209 V210 L211	Y189-D207 HydrophobicContact CD2-CB 3.97Å; Y189-D207 HydrophobicContact CE2-CB 3.56Å; D207-N209 PolarHBondContact O-N 3.44Å; D207-N209 WeakPolarHBondContact OD1-CA 3.35Å; D207-N209 WeakPolarHBondContact OD1-CB 3.43Å; D207-N209 PolarHBondContact OD1-N 3.24Å; D207-N209 WeakPolarHBondContact OD2-CB 3.4Å; D207-N209 PolarHBondContact OD2-N 3.09Å; D207-N209 PolarHBondContact OD2-ND2 3.49Å; D207-V210 WeakPolarHBondContact OD1-CG2 3.34Å; D207-V210 PolarHBondContact OD1-N 3.04Å; D207-L211 WeakPolarHBondContact O-CB 3.48Å; D207-L211 PolarHBondContact O-N 3.47Å
208	G	94.3	Very high	97.7	Very high	47 Å²	47	23.4 Å²	23.4	49%	0.485	14%	0.135	S	C	.	.	H	α-helix	trans	-65.3	-21	175.5	0	0	0	0	0	114.9	R212	G208-R212 WeakPolarHBondContact O-CB 3.23Å; G208-R212 PolarHBondContact O-NH1 3.28Å
209	N	96.9	Very high	97.6	Very high	45 Å²	45	23.5 Å²	23.5	24%	0.241	14%	0.135	C	C	.	.	H	α-helix	trans	-81.2	-53.5	175.6	-64	-59.5	0	0	0	111.4	D207 L211 R212 V213	D207-N209 PolarHBondContact O-N 3.44Å; D207-N209 WeakPolarHBondContact OD1-CA 3.35Å; D207-N209 WeakPolarHBondContact OD1-CB 3.43Å; D207-N209 PolarHBondContact OD1-N 3.24Å; D207-N209 WeakPolarHBondContact OD2-CB 3.4Å; D207-N209 PolarHBondContact OD2-N 3.09Å; D207-N209 PolarHBondContact OD2-ND2 3.49Å; N209-L211 VanDerWaalsContact C-N 3.34Å; N209-L211 PolarHBondContact O-N 2.89Å; N209-R212 WeakPolarHBondContact O-CB 3.38Å; N209-R212 PolarHBondContact O-N 3.4Å; N209-R212 VanDerWaalsContact O-N 3.13Å; N209-R212 PolarHBondContact OD1-NH1 2.72Å; N209-R212 PolarHBondContact OD1-NH2 3.46Å; N209-V213 WeakPolarHBondContact O-CG2 3.36Å; N209-V213 PolarHBondContact O-N 3.02Å
210	V	98.2	Very high	97.4	Very high	5 Å²	5	21.6 Å²	21.6	3%	0.03	13%	0.127	C	C	.	.	H	α-helix	trans	-60.7	-43	176.7	178.8	0	0	0	0	111	V205 D207 R212 V213 L214 A253 M254	V205-V210 WeakPolarHBondContact O-CG1 3.47Å; D207-V210 WeakPolarHBondContact OD1-CG2 3.34Å; D207-V210 PolarHBondContact OD1-N 3.04Å; V210-R212 VanDerWaalsContact C-N 3.27Å; V210-R212 PolarHBondContact O-N 2.9Å; V210-V213 PolarHBondContact O-N 3.29Å; V210-V213 VanDerWaalsContact O-N 3.15Å; V210-L214 HydrophobicContact CG1-CD1 3.76Å; V210-L214 HydrophobicContact CG1-CG 4.02Å; V210-L214 WeakPolarHBondContact O-CB 3.43Å; V210-L214 WeakPolarHBondContact O-CG 3.46Å; V210-L214 PolarHBondContact O-N 2.94Å; V210-A253 HydrophobicContact CG1-CB 4.46Å; V210-A253 HydrophobicContact CG2-CB 3.74Å; V210-M254 HydrophobicContact CG2-CG 3.93Å
211	L	97.6	Very high	97.1	Very high	38 Å²	38	17.1 Å²	17.1	20%	0.199	10%	0.103	C	C	.	.	H	α-helix	trans	-52.9	-46	173.9	178.4	147.7	0	0	0	111.8	V206 D207 N209 C215 P224 L233 P327	V206-L211 HydrophobicContact CG1-CB 3.84Å; D207-L211 WeakPolarHBondContact O-CB 3.48Å; D207-L211 PolarHBondContact O-N 3.47Å; N209-L211 VanDerWaalsContact C-N 3.34Å; N209-L211 PolarHBondContact O-N 2.89Å; L211-C215 VanDerWaalsContact O-CB 3.29Å; L211-C215 WeakPolarHBondContact O-CB 3.41Å; L211-C215 PolarHBondContact O-N 3.32Å; L211-C215 PolarHBondContact O-SG 3.37Å; L211-P224 HydrophobicContact CD1-CB 4.04Å; L211-P224 HydrophobicContact CD2-CB 3.92Å; L211-P224 HydrophobicContact CG-CB 4.38Å; L211-L233 HydrophobicContact CD1-CD1 3.82Å; L211-L233 HydrophobicContact CG-CD1 3.71Å; L211-P327 HydrophobicContact CD2-CB 4.49Å; L211-P327 HydrophobicContact CD2-CG 3.96Å
212	R	97.7	Very high	96.8	Very high	25 Å²	25	15.3 Å²	15.3	9%	0.094	10%	0.096	C	C	.	.	H	α-helix	trans	-68.9	-39	179.8	178.6	173.7	65.6	-101	7.3	112.3	G208 N209 V210 R216 G257 C261	G208-R212 WeakPolarHBondContact O-CB 3.23Å; G208-R212 PolarHBondContact O-NH1 3.28Å; N209-R212 WeakPolarHBondContact O-CB 3.38Å; N209-R212 PolarHBondContact O-N 3.4Å; N209-R212 VanDerWaalsContact O-N 3.13Å; N209-R212 PolarHBondContact OD1-NH1 2.72Å; N209-R212 PolarHBondContact OD1-NH2 3.46Å; V210-R212 VanDerWaalsContact C-N 3.27Å; V210-R212 PolarHBondContact O-N 2.9Å; R212-R216 WeakPolarHBondContact O-CG 3.19Å; R212-R216 PolarHBondContact O-N 3.25Å; R212-G257 VanDerWaalsContact NH2-C 3.32Å; R212-G257 PolarHBondContact NH2-O 2.74Å; R212-C261 PolarHBondContact NE-O 3.25Å
213	V	98.6	Very high	96.3	Very high	3 Å²	3	16 Å²	16	2%	0.018	10%	0.098	C	C	.	.	H	α-helix	trans	-60	-55	173.2	170.1	0	0	0	0	109.9	N209 V210 C215 R216 V217 L256 C261	N209-V213 WeakPolarHBondContact O-CG2 3.36Å; N209-V213 PolarHBondContact O-N 3.02Å; V210-V213 PolarHBondContact O-N 3.29Å; V210-V213 VanDerWaalsContact O-N 3.15Å; V213-C215 PolarHBondContact O-N 2.94Å; V213-R216 PolarHBondContact O-N 3.5Å; V213-R216 VanDerWaalsContact O-N 3.15Å; V213-V217 HydrophobicContact CG1-CG2 4.07Å; V213-V217 WeakPolarHBondContact O-CB 3.4Å; V213-V217 VanDerWaalsContact O-CG2 3.27Å; V213-V217 WeakPolarHBondContact O-CG2 3.33Å; V213-V217 PolarHBondContact O-N 2.83Å; V213-L256 HydrophobicContact CG1-CD2 3.89Å; V213-L256 HydrophobicContact CG2-CD2 4.16Å; V213-L256 HydrophobicContact CG2-CG 4.34Å; V213-C261 HydrophobicContact CG2-CB 3.91Å
214	L	98.4	Very high	95.9	Very high	4 Å²	4	16 Å²	16	2%	0.021	10%	0.099	C	C	.	.	H	α-helix	trans	-62.6	-43.4	-177.7	-66.4	177.7	0	0	0	112.4	V210 R216 V217 R218 L233 L236 A237 L240	V210-L214 HydrophobicContact CG1-CD1 3.76Å; V210-L214 HydrophobicContact CG1-CG 4.02Å; V210-L214 WeakPolarHBondContact O-CB 3.43Å; V210-L214 WeakPolarHBondContact O-CG 3.46Å; V210-L214 PolarHBondContact O-N 2.94Å; L214-R216 VanDerWaalsContact C-N 3.26Å; L214-R216 PolarHBondContact O-N 2.87Å; L214-V217 PolarHBondContact O-N 2.92Å; L214-R218 PolarHBondContact O-N 3.18Å; L214-L233 HydrophobicContact CB-CD2 3.55Å; L214-L233 HydrophobicContact CD1-CD2 4.24Å; L214-L233 WeakPolarHBondContact CD1-O 3.37Å; L214-L236 HydrophobicContact CD1-CB 4.24Å; L214-L236 HydrophobicContact CD2-CB 4.38Å; L214-A237 HydrophobicContact CD1-CB 4.24Å; L214-L240 HydrophobicContact CD2-CD1 3.6Å
215	C	97.5	Very high	95.4	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-58.6	-35.8	174.9	-77.8	0	0	0	0	112.8	L211 V213 A219 I220 P327	L211-C215 VanDerWaalsContact O-CB 3.29Å; L211-C215 WeakPolarHBondContact O-CB 3.41Å; L211-C215 PolarHBondContact O-N 3.32Å; L211-C215 PolarHBondContact O-SG 3.37Å; V213-C215 PolarHBondContact O-N 2.94Å; C215-A219 CarbonylContact O-C 3.42Å; C215-A219 WeakPolarHBondContact O-CA 3.33Å; C215-A219 PolarHBondContact O-N 3.39Å; C215-I220 HydrophobicContact CB-CB 4.4Å; C215-I220 PolarHBondContact O-N 2.82Å; C215-P327 HydrophobicContact CB-CB 3.97Å; C215-P327 HydrophobicContact CB-CG 4.39Å
216	R	97.8	Very high	95.1	Very high	4 Å²	4	22.7 Å²	22.7	2%	0.015	14%	0.141	C	C	.	.	H	α-helix	trans	-77.4	-46.8	175.4	-72.8	167.3	177.2	179.1	-2.5	111.8	R212 V213 L214 R218 A219 C261 T262 P263 A279 V323 F326	R212-R216 WeakPolarHBondContact O-CG 3.19Å; R212-R216 PolarHBondContact O-N 3.25Å; V213-R216 PolarHBondContact O-N 3.5Å; V213-R216 VanDerWaalsContact O-N 3.15Å; L214-R216 VanDerWaalsContact C-N 3.26Å; L214-R216 PolarHBondContact O-N 2.87Å; R216-R218 VanDerWaalsContact C-N 3.27Å; R216-R218 PolarHBondContact O-N 2.91Å; R216-A219 PolarHBondContact O-N 3.4Å; R216-C261 WeakPolarHBondContact CD-SG 3.36Å; R216-C261 PolarHBondContact NH1-O 3.1Å; R216-C261 VanDerWaalsContact NH1-O 3.14Å; R216-C261 PolarHBondContact NH1-SG 3.45Å; R216-T262 PolarHBondContact NH1-O 3.21Å; R216-T262 PolarHBondContact NH2-O 3.23Å; R216-P263 PolarHBondContact NH2-O 3.32Å; R216-A279 HydrophobicContact CB-CB 4.08Å; R216-A279 HydrophobicContact CG-CB 4.48Å; R216-A279 WeakPolarHBondContact O-CB 3.49Å; R216-A279 PolarHBondContact O-N 3.34Å; R216-V323 PolarHBondContact NE-O 3.38Å; R216-F326 HydrophobicContact CG-CB 3.83Å; R216-F326 VanDerWaalsContact CG-O 3.29Å; R216-F326 WeakPolarHBondContact CG-O 3.49Å; R216-F326 PolarHBondContact NE-O 2.9Å
217	V	97.9	Very high	94.8	Very high	4 Å²	4	28 Å²	28	2%	0.024	17%	0.174	C	C	.	.	H	α-helix	trans	-62.6	-34.3	-176.4	170.7	0	0	0	0	112.1	F58 F67 V213 L214 V273 C277 R278	F58-V217 HydrophobicContact CE2-CG1 4.18Å; F58-V217 HydrophobicContact CZ-CG1 3.62Å; F67-V217 HydrophobicContact CD2-CG1 4.43Å; F67-V217 HydrophobicContact CE2-CG1 3.92Å; F67-V217 HydrophobicContact CE2-CG2 4.17Å; V213-V217 HydrophobicContact CG1-CG2 4.07Å; V213-V217 WeakPolarHBondContact O-CB 3.4Å; V213-V217 VanDerWaalsContact O-CG2 3.27Å; V213-V217 WeakPolarHBondContact O-CG2 3.33Å; V213-V217 PolarHBondContact O-N 2.83Å; L214-V217 PolarHBondContact O-N 2.92Å; V217-V273 HydrophobicContact CG2-CG2 4.39Å; V217-C277 HydrophobicContact CG2-CB 4.38Å; V217-R278 WeakPolarHBondContact O-CB 3.31Å; V217-R278 WeakPolarHBondContact O-CG 3.28Å; V217-R278 PolarHBondContact O-N 2.97Å
218	R	96.7	Very high	94.7	Very high	3 Å²	3	27.6 Å²	27.6	1%	0.011	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.3	18.9	177	-63.4	-69.7	116.4	153	6.6	113.8	H56 L57 F58 D63 L214 R216 I220 L236 L276	H56-R218 PolarHBondContact ND1-O 3.32Å; L57-R218 VanDerWaalsContact O-CD 3.24Å; L57-R218 WeakPolarHBondContact O-CD 3.19Å; L57-R218 PolarHBondContact O-NH1 2.89Å; F58-R218 HydrophobicContact CD2-CG 3.95Å; F58-R218 HydrophobicContact CE2-CG 3.56Å; F58-R218 HydrophobicContact CZ-CG 4.41Å; D63-R218 IonicContact OD2-CZ 2.73Å; D63-R218 IonicContact OD2-NH1 2.86Å; D63-R218 PolarHBondContact OD2-NH1 3.38Å; D63-R218 IonicContact OD2-NH2 2.69Å; D63-R218 PolarHBondContact OD2-NH2 2.9Å; L214-R218 PolarHBondContact O-N 3.18Å; R216-R218 VanDerWaalsContact C-N 3.27Å; R216-R218 PolarHBondContact O-N 2.91Å; R218-I220 VanDerWaalsContact C-N 3.34Å; R218-I220 HydrophobicContact CB-CD1 4.33Å; R218-I220 HydrophobicContact CB-CG1 4.41Å; R218-I220 PolarHBondContact O-N 3.14Å; R218-L236 HydrophobicContact CB-CD1 4.34Å; R218-L236 HydrophobicContact CG-CD1 4.21Å; R218-L276 PolarHBondContact NH2-O 3.17Å; R218-L276 VanDerWaalsContact NH2-O 3.12Å
219	A	95.5	Very high	94.6	Very high	3 Å²	3	25.3 Å²	25.3	3%	0.025	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.2	46.9	173.3	0	0	0	0	0	115	Y55 H56 C215 R216 G221 R278 F326	Y55-A219 HydrophobicContact CE1-CB 3.67Å; Y55-A219 WeakPolarHBondContact OH-CB 3.12Å; H56-A219 PolarHBondContact CE1-O 2.85Å; H56-A219 PolarHBondContact ND1-O 2.93Å; C215-A219 CarbonylContact O-C 3.42Å; C215-A219 WeakPolarHBondContact O-CA 3.33Å; C215-A219 PolarHBondContact O-N 3.39Å; R216-A219 PolarHBondContact O-N 3.4Å; A219-G221 PolarHBondContact O-N 3.47Å; A219-R278 HydrophobicContact CB-CB 3.91Å; A219-F326 VanDerWaalsContact C-CE1 3.44Å; A219-F326 HydrophobicContact CB-CE1 4.13Å; A219-F326 HydrophobicContact CB-CE2 4Å; A219-F326 HydrophobicContact CB-CZ 3.74Å; A219-F326 VanDerWaalsContact O-CE1 3.28Å; A219-F326 WeakPolarHBondContact O-CE1 3.35Å
220	I	94.5	Very high	94.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.152	C	C	.	.			trans	-87.1	105.6	179.3	-56.9	159.8	0	0	0	108.6	H56 C215 R218 V229 L233 L236 L309 F326	H56-I220 HydrophobicContact CB-CG1 4.42Å; C215-I220 HydrophobicContact CB-CB 4.4Å; C215-I220 PolarHBondContact O-N 2.82Å; R218-I220 VanDerWaalsContact C-N 3.34Å; R218-I220 HydrophobicContact CB-CD1 4.33Å; R218-I220 HydrophobicContact CB-CG1 4.41Å; R218-I220 PolarHBondContact O-N 3.14Å; I220-V229 HydrophobicContact CG2-CG1 3.82Å; I220-V229 HydrophobicContact CG2-CG2 4.35Å; I220-L233 HydrophobicContact CD1-CD2 3.81Å; I220-L236 HydrophobicContact CD1-CD1 3.91Å; I220-L309 CarbonylContact C-O 3.59Å; I220-L309 WeakPolarHBondContact CA-O 3.45Å; I220-L309 HydrophobicContact CG2-CB 4.24Å; I220-L309 HydrophobicContact CG2-CD2 4.27Å; I220-F326 WeakPolarHBondContact O-CD1 3.44Å
221	G	92.3	Very high	94.4	Very high	2 Å²	2	26.8 Å²	26.8	2%	0.021	16%	0.158	C	C	.	.			trans	-97.9	-15.9	-175.4	0	0	0	0	0	115.2	A219 L309 C310	A219-G221 PolarHBondContact O-N 3.47Å; G221-L309 PolarHBondContact N-O 2.83Å; G221-C310 CarbonylContact C-O 3.51Å
222	A	90.4	Very high	94.3	Very high	9 Å²	9	25.4 Å²	25.4	7%	0.074	15%	0.151	C	C	.	.	S	Bend	trans	-66.1	164.6	176.4	0	0	0	0	0	112.7	P224 V229 Q308 L309 C310	A222-P224 WeakPolarHBondContact O-CD 3.48Å; A222-P224 VanDerWaalsContact O-N 3.15Å; A222-V229 HydrophobicContact CB-CG2 3.69Å; A222-Q308 WeakPolarHBondContact CB-O 3.46Å; A222-L309 PolarHBondContact N-O 2.92Å; A222-L309 VanDerWaalsContact N-O 3.17Å; A222-C310 PolarHBondContact N-O 2.84Å; A222-C310 VanDerWaalsContact N-O 3.17Å
223	D	89.8	Confident	94.3	Very high	74 Å²	74	24.2 Å²	24.2	40%	0.396	15%	0.146	S	C	.	.			trans	-59.4	115.3	-174.6	-174.5	-15.8	0	0	0	111.7	T225 S226 V229	D223-T225 PolarHBondContact O-N 3.39Å; D223-T225 VanDerWaalsContact O-N 3.13Å; D223-T225 WeakPolarHBondContact OD1-CB 3.41Å; D223-T225 PolarHBondContact OD1-N 2.82Å; D223-T225 PolarHBondContact OD1-OG1 3.45Å; D223-T225 PolarHBondContact OD2-OG1 3.22Å; D223-T225 VanDerWaalsContact OD2-OG1 3.12Å; D223-S226 WeakPolarHBondContact O-CB 3.37Å; D223-S226 PolarHBondContact O-N 2.83Å; D223-S226 PolarHBondContact O-OG 3.31Å; D223-V229 WeakPolarHBondContact O-CB 3.45Å; D223-V229 WeakPolarHBondContact O-CG2 3.48Å
224	P	90.1	Very high	94.3	Very high	20 Å²	20	25.4 Å²	25.4	13%	0.13	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-12.7	-179.5	28.6	-36.6	0	0	0	114.1	L211 A222 P327	L211-P224 HydrophobicContact CD1-CB 4.04Å; L211-P224 HydrophobicContact CD2-CB 3.92Å; L211-P224 HydrophobicContact CG-CB 4.38Å; A222-P224 WeakPolarHBondContact O-CD 3.48Å; A222-P224 VanDerWaalsContact O-N 3.15Å; P224-P327 HydrophobicContact CB-CB 4.4Å; P224-P327 HydrophobicContact CG-CB 4.09Å
225	T	88.2	Confident	94.2	Very high	102 Å²	102	27.3 Å²	27.3	63%	0.626	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-12.1	175	72.4	0	0	0	0	113.1	D223 A330	D223-T225 PolarHBondContact O-N 3.39Å; D223-T225 VanDerWaalsContact O-N 3.13Å; D223-T225 WeakPolarHBondContact OD1-CB 3.41Å; D223-T225 PolarHBondContact OD1-N 2.82Å; D223-T225 PolarHBondContact OD1-OG1 3.45Å; D223-T225 PolarHBondContact OD2-OG1 3.22Å; D223-T225 VanDerWaalsContact OD2-OG1 3.12Å; T225-A330 HydrophobicContact CG2-CB 4.08Å
226	S	91	Very high	94.3	Very high	40 Å²	40	27.3 Å²	27.3	28%	0.28	16%	0.161	S	C	.	.	S	Bend	trans	-69	145	177.1	70.7	0	0	0	0	112.1	D223 L228 V229 S230	D223-S226 WeakPolarHBondContact O-CB 3.37Å; D223-S226 PolarHBondContact O-N 2.83Å; D223-S226 PolarHBondContact O-OG 3.31Å; S226-L228 VanDerWaalsContact C-N 3.26Å; S226-L228 PolarHBondContact O-N 3.23Å; S226-V229 PolarHBondContact O-N 3.44Å; S226-V229 WeakPolarHBondContact OG-CB 3.07Å; S226-V229 WeakPolarHBondContact OG-CG2 2.99Å; S226-V229 PolarHBondContact OG-N 3.3Å; S226-S230 WeakPolarHBondContact O-CB 3.2Å; S226-S230 PolarHBondContact O-N 3.2Å
227	T	92.5	Very high	94.3	Very high	127 Å²	127	27.4 Å²	27.4	78%	0.779	16%	0.162	S	C	*	.	H	α-helix	trans	-58.5	-37.9	179.6	-49.1	0	0	0	0	112.3	H231	T227-H231 VanDerWaalsContact O-CB 3.25Å; T227-H231 WeakPolarHBondContact O-CB 3.41Å; T227-H231 PolarHBondContact O-N 2.93Å
228	L	92.3	Very high	94.3	Very high	24 Å²	24	31 Å²	31	13%	0.126	18%	0.179	C	C	.	.	H	α-helix	trans	-61.9	-56.4	176.9	179.4	79.8	0	0	0	111.2	L48 S226 S230 H231 H232 Q308 L309	L48-L228 HydrophobicContact CB-CD1 4Å; L48-L228 HydrophobicContact CD2-CD1 3.92Å; L48-L228 HydrophobicContact CG-CD1 4.47Å; S226-L228 VanDerWaalsContact C-N 3.26Å; S226-L228 PolarHBondContact O-N 3.23Å; L228-S230 VanDerWaalsContact C-N 3.32Å; L228-S230 PolarHBondContact O-N 3.38Å; L228-H231 PolarHBondContact O-N 3.48Å; L228-H232 WeakPolarHBondContact O-CB 3.42Å; L228-H232 PolarHBondContact O-N 2.99Å; L228-Q308 HydrophobicContact CD2-CB 3.4Å; L228-Q308 VanDerWaalsContact CD2-CB 3.4Å; L228-Q308 HydrophobicContact CD2-CG 4.4Å; L228-L309 HydrophobicContact CD2-CD2 3.92Å; L228-L309 HydrophobicContact CG-CD2 4.27Å
229	V	93.4	Very high	94.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-63.4	-42.3	-177	175.9	0	0	0	0	110.3	I220 A222 D223 S226 H232 L233 L309	I220-V229 HydrophobicContact CG2-CG1 3.82Å; I220-V229 HydrophobicContact CG2-CG2 4.35Å; A222-V229 HydrophobicContact CB-CG2 3.69Å; D223-V229 WeakPolarHBondContact O-CB 3.45Å; D223-V229 WeakPolarHBondContact O-CG2 3.48Å; S226-V229 PolarHBondContact O-N 3.44Å; S226-V229 WeakPolarHBondContact OG-CB 3.07Å; S226-V229 WeakPolarHBondContact OG-CG2 2.99Å; S226-V229 PolarHBondContact OG-N 3.3Å; V229-H232 PolarHBondContact O-N 3.42Å; V229-L233 HydrophobicContact CG1-CD1 3.73Å; V229-L233 HydrophobicContact CG1-CG 4.18Å; V229-L233 WeakPolarHBondContact O-CB 3.2Å; V229-L233 WeakPolarHBondContact O-CD1 3.36Å; V229-L233 WeakPolarHBondContact O-CG 3.37Å; V229-L233 PolarHBondContact O-N 3.4Å; V229-L309 HydrophobicContact CG2-CD2 3.69Å
230	S	94.7	Very high	94.5	Very high	47 Å²	47	34.5 Å²	34.5	33%	0.329	20%	0.195	S	C	.	.	H	α-helix	trans	-57.1	-52.1	174.6	-174.5	0	0	0	0	111.3	S226 L228 H232 L233 W234	S226-S230 WeakPolarHBondContact O-CB 3.2Å; S226-S230 PolarHBondContact O-N 3.2Å; L228-S230 VanDerWaalsContact C-N 3.32Å; L228-S230 PolarHBondContact O-N 3.38Å; S230-H232 VanDerWaalsContact C-N 3.35Å; S230-H232 PolarHBondContact O-N 3.16Å; S230-L233 PolarHBondContact O-N 2.95Å; S230-W234 PolarHBondContact O-N 3.19Å
231	H	95.6	Very high	94.7	Very high	33 Å²	33	34.5 Å²	34.5	15%	0.153	20%	0.195	C	C	.	.	H	α-helix	trans	-58.3	-45	177.6	-176.8	-122.1	0	0	0	112.3	T227 L228 L233 W234 N235	T227-H231 VanDerWaalsContact O-CB 3.25Å; T227-H231 WeakPolarHBondContact O-CB 3.41Å; T227-H231 PolarHBondContact O-N 2.93Å; L228-H231 PolarHBondContact O-N 3.48Å; H231-L233 PolarHBondContact O-N 3.45Å; H231-W234 PolarHBondContact O-N 3.3Å; H231-N235 PolarHBondContact CE1-ND2 3.45Å; H231-N235 PolarHBondContact ND1-ND2 3.33Å; H231-N235 PolarHBondContact NE2-ND2 2.78Å; H231-N235 VanDerWaalsContact O-CG 3.24Å; H231-N235 PolarHBondContact O-N 3.31Å; H231-N235 PolarHBondContact O-ND2 3.29Å; H231-N235 VanDerWaalsContact O-ND2 3.08Å
232	H	96	Very high	95	Very high	9 Å²	9	35.5 Å²	35.5	4%	0.042	20%	0.2	C	C	.	.	H	α-helix	trans	-58.4	-47.2	176.7	-172	80.9	0	0	0	112.5	H56 L228 V229 S230 W234 N235 L236 L309	H56-H232 PolarHBondContact O-NE2 2.94Å; L228-H232 WeakPolarHBondContact O-CB 3.42Å; L228-H232 PolarHBondContact O-N 2.99Å; V229-H232 PolarHBondContact O-N 3.42Å; S230-H232 VanDerWaalsContact C-N 3.35Å; S230-H232 PolarHBondContact O-N 3.16Å; H232-W234 PolarHBondContact O-N 2.81Å; H232-N235 PolarHBondContact O-N 3.37Å; H232-L236 WeakPolarHBondContact O-CG 3.48Å; H232-L236 PolarHBondContact O-N 3.28Å; H232-L309 HydrophobicContact CB-CD1 4.47Å
233	L	97.4	Very high	95.4	Very high	1 Å²	1	39 Å²	39	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-62.5	-40	178	-69.4	165.2	0	0	0	112.5	L211 L214 I220 V229 S230 H231 N235 L236 A237	L211-L233 HydrophobicContact CD1-CD1 3.82Å; L211-L233 HydrophobicContact CG-CD1 3.71Å; L214-L233 HydrophobicContact CB-CD2 3.55Å; L214-L233 HydrophobicContact CD1-CD2 4.24Å; L214-L233 WeakPolarHBondContact CD1-O 3.37Å; I220-L233 HydrophobicContact CD1-CD2 3.81Å; V229-L233 HydrophobicContact CG1-CD1 3.73Å; V229-L233 HydrophobicContact CG1-CG 4.18Å; V229-L233 WeakPolarHBondContact O-CB 3.2Å; V229-L233 WeakPolarHBondContact O-CD1 3.36Å; V229-L233 WeakPolarHBondContact O-CG 3.37Å; V229-L233 PolarHBondContact O-N 3.4Å; S230-L233 PolarHBondContact O-N 2.95Å; H231-L233 PolarHBondContact O-N 3.45Å; L233-N235 VanDerWaalsContact C-N 3.34Å; L233-L236 PolarHBondContact O-N 3.15Å; L233-A237 WeakPolarHBondContact O-CB 3.34Å; L233-A237 PolarHBondContact O-N 3.02Å
234	W	98	Very high	95.8	Very high	27 Å²	27	39.4 Å²	39.4	10%	0.102	24%	0.235	C	C	.	.	H	α-helix	trans	-65	-36.6	174.4	-82.7	102.9	0	0	0	112.4	R188 G204 V206 S230 H231 H232 A237 Q238	R188-W234 HydrophobicContact CB-CH2 4.1Å; R188-W234 HydrophobicContact CB-CZ2 4.27Å; R188-W234 HydrophobicContact CG-CE3 4.36Å; R188-W234 HydrophobicContact CG-CH2 3.63Å; R188-W234 HydrophobicContact CG-CZ2 4.04Å; R188-W234 HydrophobicContact CG-CZ3 3.78Å; R188-W234 VanDerWaalsContact CZ-CD2 3.46Å; R188-W234 VanDerWaalsContact CZ-CE3 3.47Å; R188-W234 VanDerWaalsContact NE-CE3 3.27Å; R188-W234 VanDerWaalsContact NH1-CG 3.26Å; G204-W234 VanDerWaalsContact O-CZ3 3.25Å; G204-W234 WeakPolarHBondContact O-CZ3 3.49Å; V206-W234 HydrophobicContact CB-CD2 4.08Å; V206-W234 HydrophobicContact CB-CE3 4.46Å; V206-W234 HydrophobicContact CB-CH2 4.44Å; V206-W234 HydrophobicContact CB-CZ2 4.02Å; V206-W234 HydrophobicContact CG2-CD2 3.81Å; V206-W234 HydrophobicContact CG2-CE3 4.04Å; V206-W234 HydrophobicContact CG2-CG 4.09Å; S230-W234 PolarHBondContact O-N 3.19Å; H231-W234 PolarHBondContact O-N 3.3Å; H232-W234 PolarHBondContact O-N 2.81Å; W234-A237 PolarHBondContact O-N 3.15Å; W234-Q238 WeakPolarHBondContact O-CB 3.36Å; W234-Q238 PolarHBondContact O-N 3.47Å
235	N	97.3	Very high	96.2	Very high	44 Å²	44	42.1 Å²	42.1	24%	0.235	24%	0.243	C	C	.	.	H	α-helix	trans	-70.2	-40.4	175.7	-65.1	-30.2	0	0	0	111.8	Q49 H231 H232 L233 A237 Q238 Q239	Q49-N235 PolarHBondContact NE2-ND2 3.13Å; H231-N235 PolarHBondContact CE1-ND2 3.45Å; H231-N235 PolarHBondContact ND1-ND2 3.33Å; H231-N235 PolarHBondContact NE2-ND2 2.78Å; H231-N235 VanDerWaalsContact O-CG 3.24Å; H231-N235 PolarHBondContact O-N 3.31Å; H231-N235 PolarHBondContact O-ND2 3.29Å; H231-N235 VanDerWaalsContact O-ND2 3.08Å; H232-N235 PolarHBondContact O-N 3.37Å; L233-N235 VanDerWaalsContact C-N 3.34Å; N235-A237 PolarHBondContact O-N 2.91Å; N235-Q238 PolarHBondContact O-N 2.98Å; N235-Q239 WeakPolarHBondContact O-CB 3.43Å; N235-Q239 PolarHBondContact O-N 3.15Å
236	L	98	Very high	96.7	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-59.4	-44.7	171.3	-70.1	179.5	0	0	0	111.6	L57 F58 L214 R218 I220 H232 L233 Q238 Q239 L240	L57-L236 HydrophobicContact CD2-CD2 4.34Å; F58-L236 HydrophobicContact CD2-CD2 4.09Å; L214-L236 HydrophobicContact CD1-CB 4.24Å; L214-L236 HydrophobicContact CD2-CB 4.38Å; R218-L236 HydrophobicContact CB-CD1 4.34Å; R218-L236 HydrophobicContact CG-CD1 4.21Å; I220-L236 HydrophobicContact CD1-CD1 3.91Å; H232-L236 WeakPolarHBondContact O-CG 3.48Å; H232-L236 PolarHBondContact O-N 3.28Å; L233-L236 PolarHBondContact O-N 3.15Å; L236-Q238 PolarHBondContact O-N 2.58Å; L236-Q239 PolarHBondContact O-N 2.75Å; L236-L240 WeakPolarHBondContact O-CB 3.25Å; L236-L240 WeakPolarHBondContact O-CG 3.38Å; L236-L240 PolarHBondContact O-N 2.97Å
237	A	98.6	Very high	97	Very high	5 Å²	5	35.6 Å²	35.6	4%	0.041	20%	0.202	C	C	.	.	H	α-helix	trans	-61.9	-42.2	176.3	0	0	0	0	0	112.1	V206 L214 L233 W234 N235 L240 V241	V206-A237 HydrophobicContact CG2-CB 3.63Å; L214-A237 HydrophobicContact CD1-CB 4.24Å; L233-A237 WeakPolarHBondContact O-CB 3.34Å; L233-A237 PolarHBondContact O-N 3.02Å; W234-A237 PolarHBondContact O-N 3.15Å; N235-A237 PolarHBondContact O-N 2.91Å; A237-L240 PolarHBondContact O-N 3.01Å; A237-V241 PolarHBondContact O-N 3.45Å
238	Q	98.4	Very high	97.3	Very high	79 Å²	79	31.9 Å²	31.9	37%	0.369	18%	0.177	S	C	.	.	H	α-helix	trans	-70.2	-29.9	177.1	-171.4	61	41.2	0	0	113.2	V202 W234 N235 L236	V202-Q238 PolarHBondContact O-NE2 2.91Å; W234-Q238 WeakPolarHBondContact O-CB 3.36Å; W234-Q238 PolarHBondContact O-N 3.47Å; N235-Q238 PolarHBondContact O-N 2.98Å; L236-Q238 PolarHBondContact O-N 2.58Å
239	Q	97.9	Very high	97.6	Very high	79 Å²	79	31 Å²	31	37%	0.369	17%	0.173	S	C	.	.	H	α-helix	trans	-71.4	-39.3	173	-171.6	-172.5	11.8	0	0	111.4	F58 R68 N235 L236	F58-Q239 PolarHBondContact O-NE2 3.21Å; R68-Q239 PolarHBondContact NH2-O 3.34Å; N235-Q239 WeakPolarHBondContact O-CB 3.43Å; N235-Q239 PolarHBondContact O-N 3.15Å; L236-Q239 PolarHBondContact O-N 2.75Å
240	L	98.6	Very high	97.9	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-84.4	-28.8	-173.7	-70.6	171.3	0	0	0	114.4	F58 V64 F67 R68 L214 L236 A237 D242 F249	F58-L240 HydrophobicContact CD1-CD2 3.82Å; F58-L240 HydrophobicContact CD2-CD1 4.25Å; F58-L240 HydrophobicContact CD2-CD2 3.98Å; F58-L240 HydrophobicContact CD2-CG 4.31Å; F58-L240 HydrophobicContact CE1-CD2 3.71Å; F58-L240 HydrophobicContact CE2-CD1 3.65Å; F58-L240 HydrophobicContact CE2-CD2 3.89Å; F58-L240 HydrophobicContact CE2-CG 4.15Å; F58-L240 HydrophobicContact CG-CD2 3.96Å; F58-L240 HydrophobicContact CZ-CD1 3.89Å; F58-L240 HydrophobicContact CZ-CD2 3.73Å; F58-L240 HydrophobicContact CZ-CG 4.37Å; V64-L240 HydrophobicContact CG1-CD2 4.27Å; V64-L240 HydrophobicContact CG2-CD2 4.26Å; F67-L240 HydrophobicContact CB-CD2 4.29Å; F67-L240 HydrophobicContact CD1-CD1 4.26Å; F67-L240 HydrophobicContact CD1-CD2 3.94Å; F67-L240 HydrophobicContact CE1-CD1 4.07Å; F67-L240 HydrophobicContact CG-CD2 4.14Å; F67-L240 HydrophobicContact CZ-CD1 4.46Å; R68-L240 WeakPolarHBondContact CG-O 3.21Å; R68-L240 PolarHBondContact NE-O 3.06Å; L214-L240 HydrophobicContact CD2-CD1 3.6Å; L236-L240 WeakPolarHBondContact O-CB 3.25Å; L236-L240 WeakPolarHBondContact O-CG 3.38Å; L236-L240 PolarHBondContact O-N 2.97Å; A237-L240 PolarHBondContact O-N 3.01Å; L240-D242 PolarHBondContact O-N 3.08Å; L240-F249 HydrophobicContact CB-CE1 4.22Å; L240-F249 HydrophobicContact CB-CZ 3.73Å; L240-F249 WeakPolarHBondContact O-CE2 3.39Å; L240-F249 WeakPolarHBondContact O-CZ 3.34Å
241	V	98.7	Very high	98.1	Very high	1 Å²	1	30 Å²	30	1%	0.006	16%	0.163	C	C	.	.	S	Bend	trans	-51.3	130.9	-176.2	65.5	0	0	0	0	111	R68 V202 A237 P246 F249	R68-V241 PolarHBondContact NE-O 2.93Å; R68-V241 PolarHBondContact NH2-O 2.82Å; V202-V241 HydrophobicContact CG1-CG1 3.81Å; A237-V241 PolarHBondContact O-N 3.45Å; V241-P246 HydrophobicContact CG2-CB 3.66Å; V241-F249 HydrophobicContact CB-CD1 4.15Å; V241-F249 HydrophobicContact CB-CE1 4.45Å; V241-F249 HydrophobicContact CG2-CD1 4.09Å
242	D	98.7	Very high	98.2	Very high	23 Å²	23	28.4 Å²	28.4	12%	0.123	16%	0.155	C	C	.	.			trans	-71.5	129.7	-176.8	-171.9	-93.1	0	0	0	110.6	R68 L72 L240 A244 R245 P246 F249	R68-D242 WeakPolarHBondContact CD-OD2 3.46Å; R68-D242 HydrophobicContact CG-CB 4.3Å; L72-D242 HydrophobicContact CD1-CB 4.04Å; L240-D242 PolarHBondContact O-N 3.08Å; D242-A244 VanDerWaalsContact C-N 3.3Å; D242-A244 PolarHBondContact O-N 3.36Å; D242-A244 WeakPolarHBondContact OD1-CA 3.5Å; D242-A244 WeakPolarHBondContact OD1-CB 3.45Å; D242-A244 PolarHBondContact OD1-N 2.72Å; D242-R245 PolarHBondContact OD1-N 3.14Å; D242-P246 VanDerWaalsContact O-CA 3.29Å; D242-P246 WeakPolarHBondContact O-CA 3.05Å; D242-P246 WeakPolarHBondContact O-CB 3.4Å; D242-P246 WeakPolarHBondContact O-CD 3.47Å; D242-F249 HydrophobicContact CB-CB 3.9Å; D242-F249 HydrophobicContact CB-CD2 3.98Å; D242-F249 HydrophobicContact CB-CG 4.15Å
243	P	98.3	Very high	98.4	Very high	81 Å²	81	28.2 Å²	28.2	53%	0.526	16%	0.156	S	C	.	.	S	Bend	trans	-74.3	-17.1	-176.6	30	-35.9	0	0	0	114	V202	V202-P243 HydrophobicContact CG1-CB 4.37Å; V202-P243 HydrophobicContact CG2-CB 4.4Å
244	A	98.4	Very high	98.4	Very high	83 Å²	83	29.2 Å²	29.2	69%	0.686	16%	0.161	S	C	*	.	S	Bend	trans	-99	-28.3	178.6	0	0	0	0	0	112.6	D242	D242-A244 VanDerWaalsContact C-N 3.3Å; D242-A244 PolarHBondContact O-N 3.36Å; D242-A244 WeakPolarHBondContact OD1-CA 3.5Å; D242-A244 WeakPolarHBondContact OD1-CB 3.45Å; D242-A244 PolarHBondContact OD1-N 2.72Å
245	R	98.2	Very high	98.4	Very high	77 Å²	77	28 Å²	28	29%	0.291	16%	0.156	S	C	.	.			trans	-134	55.7	-177.9	-65.7	179.5	64.5	-169.5	2.4	112.6	L72 D76 D242 G247 D248 F249	L72-R245 HydrophobicContact CD1-CB 4.37Å; L72-R245 HydrophobicContact CD2-CB 4.43Å; D76-R245 VanDerWaalsContact CG-NH2 3.28Å; D76-R245 IonicContact OD1-CZ 2.84Å; D76-R245 IonicContact OD1-NH2 3.19Å; D76-R245 PolarHBondContact OD1-NH2 3.09Å; D76-R245 IonicContact OD2-CZ 3.41Å; D76-R245 VanDerWaalsContact OD2-CZ 3.28Å; D76-R245 IonicContact OD2-NH1 2.67Å; D76-R245 PolarHBondContact OD2-NH1 3.46Å; D76-R245 IonicContact OD2-NH2 3.98Å; D76-R245 PolarHBondContact OD2-NH2 2.95Å; D242-R245 PolarHBondContact OD1-N 3.14Å; R245-G247 PolarHBondContact O-N 3.14Å; R245-D248 HydrophobicContact CB-CB 4.28Å; R245-D248 IonicContact CZ-OD2 2.7Å; R245-D248 IonicContact NE-OD2 2.81Å; R245-D248 PolarHBondContact NE-OD2 3.21Å; R245-D248 VanDerWaalsContact NE-OD2 3.15Å; R245-D248 IonicContact NH2-OD2 2.74Å; R245-D248 PolarHBondContact NH2-OD2 3.26Å; R245-D248 PolarHBondContact O-N 2.95Å; R245-F249 WeakPolarHBondContact O-CB 3.22Å; R245-F249 PolarHBondContact O-N 3.27Å
246	P	98.6	Very high	98.5	Very high	1 Å²	1	26 Å²	26	1%	0.006	15%	0.145	C	C	.	.	H	α-helix	trans	-64	-38.2	-172.3	25.3	-33.8	0	0	0	113	D200 Q201 V202 V241 D242 F249 N250	D200-P246 HydrophobicContact CB-CG 4.46Å; D200-P246 WeakPolarHBondContact O-CG 3.39Å; Q201-P246 WeakPolarHBondContact O-CB 3.5Å; V202-P246 HydrophobicContact CG2-CG 4.34Å; V241-P246 HydrophobicContact CG2-CB 3.66Å; D242-P246 VanDerWaalsContact O-CA 3.29Å; D242-P246 WeakPolarHBondContact O-CA 3.05Å; D242-P246 WeakPolarHBondContact O-CB 3.4Å; D242-P246 WeakPolarHBondContact O-CD 3.47Å; P246-F249 PolarHBondContact O-N 3.3Å; P246-N250 WeakPolarHBondContact O-CB 3.48Å; P246-N250 PolarHBondContact O-N 3.05Å; P246-N250 PolarHBondContact O-ND2 3.04Å
247	G	98.3	Very high	98.5	Very high	4 Å²	4	26 Å²	26	4%	0.041	15%	0.145	C	C	.	.	H	α-helix	trans	-65.1	-45.9	177	0	0	0	0	0	113.8	S196 R245 Q251	S196-G247 VanDerWaalsContact C-CA 3.47Å; S196-G247 WeakPolarHBondContact O-CA 3.39Å; S196-G247 PolarHBondContact O-N 3.27Å; S196-G247 VanDerWaalsContact O-N 3.15Å; R245-G247 PolarHBondContact O-N 3.14Å; G247-Q251 VanDerWaalsContact O-CG 3.32Å; G247-Q251 WeakPolarHBondContact O-CG 3.37Å; G247-Q251 PolarHBondContact O-N 2.89Å; G247-Q251 VanDerWaalsContact O-N 3.12Å; G247-Q251 PolarHBondContact O-NE2 2.98Å
248	D	98.5	Very high	98.4	Very high	49 Å²	49	27.6 Å²	27.6	26%	0.262	16%	0.159	S	C	.	.	H	α-helix	trans	-66.8	-40.8	174.4	-82.9	-27.5	0	0	0	111.4	L72 Y75 R245 N250 Q251 A252	L72-D248 HydrophobicContact CD2-CB 3.96Å; Y75-D248 HydrophobicContact CD1-CB 4.31Å; Y75-D248 HydrophobicContact CE1-CB 4.09Å; Y75-D248 WeakPolarHBondContact CE1-OD1 3.24Å; R245-D248 HydrophobicContact CB-CB 4.28Å; R245-D248 IonicContact CZ-OD2 2.7Å; R245-D248 IonicContact NE-OD2 2.81Å; R245-D248 PolarHBondContact NE-OD2 3.21Å; R245-D248 VanDerWaalsContact NE-OD2 3.15Å; R245-D248 IonicContact NH2-OD2 2.74Å; R245-D248 PolarHBondContact NH2-OD2 3.26Å; R245-D248 PolarHBondContact O-N 2.95Å; D248-N250 PolarHBondContact O-N 2.88Å; D248-Q251 PolarHBondContact O-N 3.49Å; D248-A252 WeakPolarHBondContact O-CB 3.06Å; D248-A252 PolarHBondContact O-N 3.2Å
249	F	98.8	Very high	98.3	Very high	7 Å²	7	24.2 Å²	24.2	3%	0.031	14%	0.143	C	C	.	.	H	α-helix	trans	-59.5	-47.7	177.4	179.3	-81.5	0	0	0	111.7	F67 R68 L71 L72 L240 V241 D242 R245 P246 Q251 A252 A253	F67-F249 HydrophobicContact CD1-CE2 4.11Å; F67-F249 HydrophobicContact CD1-CZ 4.08Å; F67-F249 HydrophobicContact CE1-CE2 4.24Å; F67-F249 AromaticContact CE1-CZ 3.89Å; F67-F249 HydrophobicContact CE1-CZ 3.89Å; R68-F249 HydrophobicContact CB-CE2 4.5Å; R68-F249 HydrophobicContact CG-CD2 4.17Å; R68-F249 HydrophobicContact CG-CE2 3.87Å; L71-F249 HydrophobicContact CD2-CD2 4.24Å; L71-F249 HydrophobicContact CD2-CE2 3.79Å; L71-F249 HydrophobicContact CD2-CZ 3.98Å; L72-F249 HydrophobicContact CD2-CB 4.2Å; L240-F249 HydrophobicContact CB-CE1 4.22Å; L240-F249 HydrophobicContact CB-CZ 3.73Å; L240-F249 WeakPolarHBondContact O-CE2 3.39Å; L240-F249 WeakPolarHBondContact O-CZ 3.34Å; V241-F249 HydrophobicContact CB-CD1 4.15Å; V241-F249 HydrophobicContact CB-CE1 4.45Å; V241-F249 HydrophobicContact CG2-CD1 4.09Å; D242-F249 HydrophobicContact CB-CB 3.9Å; D242-F249 HydrophobicContact CB-CD2 3.98Å; D242-F249 HydrophobicContact CB-CG 4.15Å; R245-F249 WeakPolarHBondContact O-CB 3.22Å; R245-F249 PolarHBondContact O-N 3.27Å; P246-F249 PolarHBondContact O-N 3.3Å; F249-Q251 PolarHBondContact O-N 3.32Å; F249-A252 WeakPolarHBondContact O-CB 3.42Å; F249-A252 PolarHBondContact O-N 3.49Å; F249-A253 PolarHBondContact O-N 3.19Å
250	N	98.8	Very high	98.4	Very high	3 Å²	3	20.9 Å²	20.9	2%	0.016	13%	0.128	C	C	.	.	H	α-helix	trans	-62.1	-44.9	179	-79.9	-27.6	0	0	0	111.2	S196 T203 V205 P246 D248 A252 A253 M254	S196-N250 VanDerWaalsContact CB-ND2 3.27Å; S196-N250 WeakPolarHBondContact CB-ND2 3.39Å; S196-N250 PolarHBondContact OG-ND2 3.39Å; T203-N250 PolarHBondContact O-ND2 3.24Å; V205-N250 HydrophobicContact CG2-CB 3.7Å; V205-N250 PolarHBondContact N-OD1 2.93Å; P246-N250 WeakPolarHBondContact O-CB 3.48Å; P246-N250 PolarHBondContact O-N 3.05Å; P246-N250 PolarHBondContact O-ND2 3.04Å; D248-N250 PolarHBondContact O-N 2.88Å; N250-A252 VanDerWaalsContact C-N 3.34Å; N250-A252 PolarHBondContact O-N 3.04Å; N250-A253 PolarHBondContact O-N 2.7Å; N250-M254 WeakPolarHBondContact O-CG 3.23Å; N250-M254 PolarHBondContact O-N 2.8Å; N250-M254 VanDerWaalsContact O-N 3.15Å
251	Q	98.6	Very high	98.4	Very high	21 Å²	21	21.5 Å²	21.5	10%	0.098	13%	0.132	C	C	.	.	H	α-helix	trans	-65	-36.8	175.1	-70.1	179.9	89.3	0	0	112.7	Y75 I197 G247 D248 F249 M254 E255	Y75-Q251 HydrophobicContact CE1-CB 4.36Å; Y75-Q251 HydrophobicContact CE2-CB 4.13Å; Y75-Q251 VanDerWaalsContact OH-CB 3.24Å; Y75-Q251 WeakPolarHBondContact OH-CB 3.38Å; Y75-Q251 PolarHBondContact OH-OE1 3.48Å; I197-Q251 HydrophobicContact CD1-CG 3.65Å; I197-Q251 HydrophobicContact CG1-CG 4.08Å; G247-Q251 VanDerWaalsContact O-CG 3.32Å; G247-Q251 WeakPolarHBondContact O-CG 3.37Å; G247-Q251 PolarHBondContact O-N 2.89Å; G247-Q251 VanDerWaalsContact O-N 3.12Å; G247-Q251 PolarHBondContact O-NE2 2.98Å; D248-Q251 PolarHBondContact O-N 3.49Å; F249-Q251 PolarHBondContact O-N 3.32Å; Q251-M254 PolarHBondContact O-N 2.92Å; Q251-E255 VanDerWaalsContact O-CB 3.28Å; Q251-E255 WeakPolarHBondContact O-CB 3.48Å; Q251-E255 PolarHBondContact O-N 3.03Å
252	A	98.7	Very high	98.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.8	-42	176.2	0	0	0	0	0	111.9	L71 Y75 D248 F249 N250 E255 L256	L71-A252 HydrophobicContact CD1-CB 4.05Å; L71-A252 HydrophobicContact CD2-CB 4.21Å; L71-A252 HydrophobicContact CG-CB 3.73Å; Y75-A252 VanDerWaalsContact CB-CB 3.48Å; Y75-A252 HydrophobicContact CD1-CB 4.01Å; Y75-A252 VanDerWaalsContact CD2-CA 3.47Å; Y75-A252 HydrophobicContact CD2-CB 3.72Å; Y75-A252 HydrophobicContact CE2-CB 4.45Å; Y75-A252 HydrophobicContact CG-CB 3.47Å; Y75-A252 VanDerWaalsContact CG-CB 3.47Å; D248-A252 WeakPolarHBondContact O-CB 3.06Å; D248-A252 PolarHBondContact O-N 3.2Å; F249-A252 WeakPolarHBondContact O-CB 3.42Å; F249-A252 PolarHBondContact O-N 3.49Å; N250-A252 VanDerWaalsContact C-N 3.34Å; N250-A252 PolarHBondContact O-N 3.04Å; A252-E255 PolarHBondContact O-N 2.95Å; A252-L256 VanDerWaalsContact O-CB 3.31Å; A252-L256 WeakPolarHBondContact O-CB 3.37Å; A252-L256 PolarHBondContact O-N 2.86Å
253	A	98.7	Very high	98.1	Very high	6 Å²	6	25 Å²	25	5%	0.05	16%	0.156	C	C	.	.	H	α-helix	trans	-64.7	-39.4	176.4	0	0	0	0	0	112.1	L71 V210 F249 N250 G257	L71-A253 HydrophobicContact CD2-CB 4.17Å; V210-A253 HydrophobicContact CG1-CB 4.46Å; V210-A253 HydrophobicContact CG2-CB 3.74Å; F249-A253 PolarHBondContact O-N 3.19Å; N250-A253 PolarHBondContact O-N 2.7Å; A253-G257 PolarHBondContact O-N 3.07Å
254	M	98.2	Very high	97.8	Very high	22 Å²	22	26.5 Å²	26.5	11%	0.108	16%	0.156	C	C	.	.	H	α-helix	trans	-65.4	-46.7	172.1	-64	174.5	-152.2	0	0	111.7	Y189 V205 V210 N250 Q251 L256 G257 A258	Y189-M254 HydrophobicContact CE2-CE 3.85Å; Y189-M254 WeakPolarHBondContact OH-CE 3.38Å; Y189-M254 PolarHBondContact OH-SD 3.09Å; V205-M254 HydrophobicContact CG2-CE 3.42Å; V205-M254 VanDerWaalsContact CG2-CE 3.42Å; V210-M254 HydrophobicContact CG2-CG 3.93Å; N250-M254 WeakPolarHBondContact O-CG 3.23Å; N250-M254 PolarHBondContact O-N 2.8Å; N250-M254 VanDerWaalsContact O-N 3.15Å; Q251-M254 PolarHBondContact O-N 2.92Å; M254-L256 PolarHBondContact O-N 3.46Å; M254-G257 PolarHBondContact O-N 2.96Å; M254-A258 WeakPolarHBondContact O-CB 3.29Å; M254-A258 PolarHBondContact O-N 2.7Å
255	E	98.2	Very high	97.6	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.009	16%	0.162	C	C	.	.	H	α-helix	trans	-60	-47.5	-179.4	-164.4	77.6	156.5	0	0	110.3	W74 Y75 R80 R85 Q251 A252 G257 A258 T259	W74-E255 HydrophobicContact CH2-CB 3.94Å; W74-E255 HydrophobicContact CH2-CG 3.75Å; W74-E255 HydrophobicContact CZ3-CB 4.06Å; W74-E255 HydrophobicContact CZ3-CG 4.24Å; Y75-E255 HydrophobicContact CD2-CB 4.09Å; Y75-E255 HydrophobicContact CD2-CG 4.32Å; Y75-E255 HydrophobicContact CE2-CB 4.07Å; Y75-E255 HydrophobicContact CE2-CG 4.32Å; R80-E255 WeakPolarHBondContact CB-OE1 3.49Å; R80-E255 WeakPolarHBondContact CG-OE1 3.27Å; R80-E255 IonicContact CZ-OE1 2.68Å; R80-E255 IonicContact CZ-OE2 2.68Å; R80-E255 PolarHBondContact N-OE1 3.31Å; R80-E255 IonicContact NE-OE1 2.83Å; R80-E255 PolarHBondContact NE-OE1 2.9Å; R80-E255 IonicContact NE-OE2 3.82Å; R80-E255 PolarHBondContact NE-OE2 2.92Å; R80-E255 IonicContact NH2-OE1 3.65Å; R80-E255 IonicContact NH2-OE2 2.77Å; R80-E255 PolarHBondContact NH2-OE2 2.89Å; R85-E255 IonicContact CZ-OE1 3.85Å; R85-E255 IonicContact CZ-OE2 2.71Å; R85-E255 VanDerWaalsContact NH1-CD 3.28Å; R85-E255 IonicContact NH1-OE1 2.97Å; R85-E255 PolarHBondContact NH1-OE1 3.02Å; R85-E255 IonicContact NH1-OE2 3.28Å; R85-E255 PolarHBondContact NH1-OE2 2.76Å; R85-E255 VanDerWaalsContact NH2-CD 3.26Å; R85-E255 IonicContact NH2-OE1 3.28Å; R85-E255 IonicContact NH2-OE2 3.82Å; R85-E255 PolarHBondContact NH2-OE2 2.65Å; Q251-E255 VanDerWaalsContact O-CB 3.28Å; Q251-E255 WeakPolarHBondContact O-CB 3.48Å; Q251-E255 PolarHBondContact O-N 3.03Å; A252-E255 PolarHBondContact O-N 2.95Å; E255-G257 VanDerWaalsContact C-N 3.29Å; E255-G257 PolarHBondContact O-N 2.85Å; E255-A258 CarbonylContact O-C 3.59Å; E255-A258 WeakPolarHBondContact O-CA 3.37Å; E255-A258 PolarHBondContact O-N 3.41Å; E255-T259 HydrophobicContact CG-CG2 4.38Å; E255-T259 PolarHBondContact O-N 2.84Å; E255-T259 PolarHBondContact O-OG1 3.11Å
256	L	98.7	Very high	97.5	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-56	-45	177	-179.6	73.4	0	0	0	111	L71 W74 V213 A252 M254 V260 C261 P272 V273	L71-L256 HydrophobicContact CD1-CB 4.01Å; L71-L256 HydrophobicContact CD1-CD2 3.97Å; L71-L256 HydrophobicContact CD1-CG 4.43Å; W74-L256 VanDerWaalsContact CH2-CA 3.49Å; W74-L256 HydrophobicContact CH2-CB 4.05Å; W74-L256 HydrophobicContact CH2-CD1 4.34Å; W74-L256 HydrophobicContact CZ2-CD1 4.44Å; W74-L256 HydrophobicContact CZ3-CB 3.88Å; W74-L256 HydrophobicContact CZ3-CD1 4.4Å; V213-L256 HydrophobicContact CG1-CD2 3.89Å; V213-L256 HydrophobicContact CG2-CD2 4.16Å; V213-L256 HydrophobicContact CG2-CG 4.34Å; A252-L256 VanDerWaalsContact O-CB 3.31Å; A252-L256 WeakPolarHBondContact O-CB 3.37Å; A252-L256 PolarHBondContact O-N 2.86Å; M254-L256 PolarHBondContact O-N 3.46Å; L256-V260 HydrophobicContact CD1-CB 3.89Å; L256-V260 HydrophobicContact CD1-CG1 4.2Å; L256-V260 HydrophobicContact CD1-CG2 4.23Å; L256-V260 PolarHBondContact O-N 3.46Å; L256-C261 HydrophobicContact CG-CB 4.43Å; L256-C261 PolarHBondContact O-N 3.21Å; L256-P272 HydrophobicContact CD1-CG 3.91Å; L256-V273 HydrophobicContact CD2-CG2 3.67Å
257	G	98.1	Very high	97.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63.9	-40.6	174.7	0	0	0	0	0	112.7	R212 A253 M254 E255 C261	R212-G257 VanDerWaalsContact NH2-C 3.32Å; R212-G257 PolarHBondContact NH2-O 2.74Å; A253-G257 PolarHBondContact O-N 3.07Å; M254-G257 PolarHBondContact O-N 2.96Å; E255-G257 VanDerWaalsContact C-N 3.29Å; E255-G257 PolarHBondContact O-N 2.85Å; G257-C261 CarbonylContact O-C 3.37Å
258	A	96.5	Very high	97.4	Very high	40 Å²	40	34.7 Å²	34.7	33%	0.331	18%	0.18	S	C	.	.	H	α-helix	trans	-71.7	-37	-176.8	0	0	0	0	0	114	M254 E255	M254-A258 WeakPolarHBondContact O-CB 3.29Å; M254-A258 PolarHBondContact O-N 2.7Å; E255-A258 CarbonylContact O-C 3.59Å; E255-A258 WeakPolarHBondContact O-CA 3.37Å; E255-A258 PolarHBondContact O-N 3.41Å
259	T	97.3	Very high	97.3	Very high	8 Å²	8	36.6 Å²	36.6	5%	0.049	20%	0.197	C	C	.	.	H	α-helix	trans	-109.2	-32.6	-170.6	61	0	0	0	0	114.6	E255 F501	E255-T259 HydrophobicContact CG-CG2 4.38Å; E255-T259 PolarHBondContact O-N 2.84Å; E255-T259 PolarHBondContact O-OG1 3.11Å; T259-F501 HydrophobicContact CG2-CE1 4.32Å; T259-F501 HydrophobicContact CG2-CZ 4.13Å
260	V	98.5	Very high	97.1	Very high	9 Å²	9	42.7 Å²	42.7	6%	0.055	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-56.2	-173.8	179.5	0	0	0	0	111.5	W74 L256 T262 P266 L267 C271	W74-V260 HydrophobicContact CZ2-CG2 3.71Å; L256-V260 HydrophobicContact CD1-CB 3.89Å; L256-V260 HydrophobicContact CD1-CG1 4.2Å; L256-V260 HydrophobicContact CD1-CG2 4.23Å; L256-V260 PolarHBondContact O-N 3.46Å; V260-T262 PolarHBondContact O-N 3.08Å; V260-P266 CarbonylContact O-C 3.51Å; V260-P266 VanDerWaalsContact O-CA 3.26Å; V260-P266 WeakPolarHBondContact O-CA 3.45Å; V260-P266 WeakPolarHBondContact O-CB 3.28Å; V260-L267 HydrophobicContact CG1-CB 4.15Å; V260-L267 WeakPolarHBondContact CG1-O 3.49Å; V260-L267 PolarHBondContact O-N 2.91Å; V260-C271 HydrophobicContact CG1-CB 3.87Å
261	C	98.4	Very high	97.1	Very high	13 Å²	13	43.6 Å²	43.6	9%	0.088	23%	0.232	C	C	.	.	S	Bend	trans	-87	51.8	-176.8	-163.4	0	0	0	0	110.7	R212 V213 R216 L256 G257	R212-C261 PolarHBondContact NE-O 3.25Å; V213-C261 HydrophobicContact CG2-CB 3.91Å; R216-C261 WeakPolarHBondContact CD-SG 3.36Å; R216-C261 PolarHBondContact NH1-O 3.1Å; R216-C261 VanDerWaalsContact NH1-O 3.14Å; R216-C261 PolarHBondContact NH1-SG 3.45Å; L256-C261 HydrophobicContact CG-CB 4.43Å; L256-C261 PolarHBondContact O-N 3.21Å; G257-C261 CarbonylContact O-C 3.37Å
262	T	97	Very high	97.1	Very high	27 Å²	27	43.9 Å²	43.9	17%	0.166	24%	0.235	C	C	.	.			trans	-65.4	162	-173.4	58.4	0	0	0	0	113.5	R216 V260 Q264 R265 P266	R216-T262 PolarHBondContact NH1-O 3.21Å; R216-T262 PolarHBondContact NH2-O 3.23Å; V260-T262 PolarHBondContact O-N 3.08Å; T262-Q264 VanDerWaalsContact C-N 3.29Å; T262-Q264 PolarHBondContact O-N 3.09Å; T262-Q264 PolarHBondContact OG1-O 2.82Å; T262-R265 PolarHBondContact OG1-O 2.98Å; T262-P266 WeakPolarHBondContact OG1-CA 3.46Å
263	P	94.4	Very high	97.1	Very high	72 Å²	72	44 Å²	44	47%	0.468	24%	0.236	S	C	.	.	S	Bend	trans	-60	-33.9	-179.5	-26.2	36	0	0	0	114.7	R216	R216-P263 PolarHBondContact NH2-O 3.32Å
264	Q	92.7	Very high	97	Very high	112 Å²	112	46.2 Å²	46.2	52%	0.523	25%	0.245	S	C	.	.	S	Bend	trans	-133.2	141.7	177.6	-59.5	-68.3	19	0	0	108.6	T262	T262-Q264 VanDerWaalsContact C-N 3.29Å; T262-Q264 PolarHBondContact O-N 3.09Å; T262-Q264 PolarHBondContact OG1-O 2.82Å
265	R	93.2	Very high	96.9	Very high	216 Å²	216	48.8 Å²	48.8	82%	0.815	27%	0.265	S	S	*	.	S	Bend	trans	50.3	57.9	-178.6	-58	179.9	177.6	-178.5	-2.9	113.8	T262	T262-R265 PolarHBondContact OG1-O 2.98Å
266	P	96.9	Very high	96.9	Very high	25 Å²	25	49.5 Å²	49.5	16%	0.162	27%	0.269	C	S	.	.			trans	-64.3	142.2	175.9	27.8	-33.5	0	0	0	111.8	V260 T262 C268 V323	V260-P266 CarbonylContact O-C 3.51Å; V260-P266 VanDerWaalsContact O-CA 3.26Å; V260-P266 WeakPolarHBondContact O-CA 3.45Å; V260-P266 WeakPolarHBondContact O-CB 3.28Å; T262-P266 WeakPolarHBondContact OG1-CA 3.46Å; P266-C268 PolarHBondContact O-N 2.77Å; P266-V323 HydrophobicContact CB-CG2 4.46Å; P266-V323 HydrophobicContact CG-CG2 3.35Å
267	L	97.5	Very high	96.8	Very high	68 Å²	68	50 Å²	50	36%	0.356	27%	0.273	S	S	.	.			trans	-80.1	57.9	-177	-57.5	178.6	0	0	0	111.1	V260 S269 H270 C271	V260-L267 HydrophobicContact CG1-CB 4.15Å; V260-L267 WeakPolarHBondContact CG1-O 3.49Å; V260-L267 PolarHBondContact O-N 2.91Å; L267-S269 PolarHBondContact O-N 2.89Å; L267-S269 VanDerWaalsContact O-N 3.11Å; L267-H270 HydrophobicContact CB-CB 4.47Å; L267-H270 PolarHBondContact O-N 3.43Å; L267-C271 PolarHBondContact O-N 3.33Å
268	C	97.4	Very high	96.7	Very high	27 Å²	27	52 Å²	52	18%	0.182	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-55.5	-33	-172.3	-69.7	0	0	0	0	113.9	P266 H270 C271 Q274 Y280	P266-C268 PolarHBondContact O-N 2.77Å; C268-H270 PolarHBondContact O-N 3.44Å; C268-C271 WeakPolarHBondContact O-CB 3.21Å; C268-C271 PolarHBondContact O-N 3.26Å; C268-Q274 PolarHBondContact O-NE2 2.92Å; C268-Y280 HydrophobicContact CB-CD2 3.69Å; C268-Y280 HydrophobicContact CB-CE2 3.69Å
269	S	95.6	Very high	96.7	Very high	90 Å²	90	50.1 Å²	50.1	63%	0.629	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-62.7	-23.3	175.3	47.1	0	0	0	0	114.3	L267	L267-S269 PolarHBondContact O-N 2.89Å; L267-S269 VanDerWaalsContact O-N 3.11Å
270	H	95.8	Very high	96.6	Very high	135 Å²	135	52 Å²	52	63%	0.625	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-106.8	11.1	179.5	-58.7	87.8	0	0	0	112.4	L267 C268	L267-H270 HydrophobicContact CB-CB 4.47Å; L267-H270 PolarHBondContact O-N 3.43Å; C268-H270 PolarHBondContact O-N 3.44Å
271	C	98.3	Very high	96.4	Very high	22 Å²	22	54.2 Å²	54.2	15%	0.149	28%	0.281	C	S	.	.			trans	-84.8	120.7	-175.1	-175.7	0	0	0	0	111.6	V260 L267 C268 V273 Q274	V260-C271 HydrophobicContact CG1-CB 3.87Å; L267-C271 PolarHBondContact O-N 3.33Å; C268-C271 WeakPolarHBondContact O-CB 3.21Å; C268-C271 PolarHBondContact O-N 3.26Å; C271-V273 PolarHBondContact O-N 2.93Å; C271-V273 VanDerWaalsContact O-N 3.17Å; C271-Q274 HydrophobicContact CB-CB 4.17Å; C271-Q274 VanDerWaalsContact O-CB 3.23Å; C271-Q274 WeakPolarHBondContact O-CB 3.38Å; C271-Q274 PolarHBondContact O-N 3.49Å; C271-Q274 VanDerWaalsContact O-N 3.09Å
272	P	98.4	Very high	96.1	Very high	27 Å²	27	54.7 Å²	54.7	18%	0.175	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-23	-178.1	28.8	-39.2	0	0	0	113.7	N70 W74 L256	N70-P272 HydrophobicContact CB-CB 4.33Å; N70-P272 WeakPolarHBondContact CB-O 3.26Å; N70-P272 PolarHBondContact ND2-O 3.47Å; W74-P272 HydrophobicContact CB-CB 3.64Å; W74-P272 HydrophobicContact CB-CG 3.7Å; W74-P272 HydrophobicContact CD2-CG 3.88Å; W74-P272 HydrophobicContact CE3-CG 4.34Å; W74-P272 HydrophobicContact CG-CB 3.96Å; W74-P272 HydrophobicContact CG-CG 3.56Å; L256-P272 HydrophobicContact CD1-CG 3.91Å
273	V	98.3	Very high	95.8	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.006	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	21.3	179.2	-59.9	0	0	0	0	112.2	F67 N70 L71 V217 L256 C271 S275 L276 C277	F67-V273 HydrophobicContact CD2-CB 3.93Å; F67-V273 HydrophobicContact CD2-CG1 3.69Å; F67-V273 HydrophobicContact CE2-CB 3.72Å; F67-V273 HydrophobicContact CE2-CG1 3.67Å; F67-V273 HydrophobicContact CE2-CG2 3.84Å; F67-V273 HydrophobicContact CG-CG1 4.22Å; F67-V273 HydrophobicContact CZ-CG1 4.19Å; F67-V273 HydrophobicContact CZ-CG2 4.39Å; N70-V273 HydrophobicContact CB-CG1 4.36Å; L71-V273 HydrophobicContact CB-CG1 4.32Å; V217-V273 HydrophobicContact CG2-CG2 4.39Å; L256-V273 HydrophobicContact CD2-CG2 3.67Å; C271-V273 PolarHBondContact O-N 2.93Å; C271-V273 VanDerWaalsContact O-N 3.17Å; V273-S275 PolarHBondContact O-N 3.12Å; V273-L276 PolarHBondContact O-N 2.94Å; V273-C277 PolarHBondContact O-N 3.48Å
274	Q	97.8	Very high	95.7	Very high	53 Å²	53	54.7 Å²	54.7	25%	0.248	28%	0.275	C	S	.	.	S	Bend	trans	-55	-47.4	179.6	-176.4	-161.5	96.1	0	0	112.2	C268 C271 L276 C277 Y280	C268-Q274 PolarHBondContact O-NE2 2.92Å; C271-Q274 HydrophobicContact CB-CB 4.17Å; C271-Q274 VanDerWaalsContact O-CB 3.23Å; C271-Q274 WeakPolarHBondContact O-CB 3.38Å; C271-Q274 PolarHBondContact O-N 3.49Å; C271-Q274 VanDerWaalsContact O-N 3.09Å; Q274-L276 PolarHBondContact O-N 2.8Å; Q274-C277 VanDerWaalsContact O-CB 3.29Å; Q274-C277 WeakPolarHBondContact O-CB 3.44Å; Q274-C277 PolarHBondContact O-N 3.07Å; Q274-Y280 HydrophobicContact CG-CD1 3.34Å; Q274-Y280 HydrophobicContact CG-CE1 3.28Å; Q274-Y280 HydrophobicContact CG-CG 4.01Å
275	S	96.3	Very high	95.3	Very high	76 Å²	76	54.6 Å²	54.6	53%	0.531	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-31.6	-178.2	50.9	0	0	0	0	113.2	V273 Q281	V273-S275 PolarHBondContact O-N 3.12Å; S275-Q281 PolarHBondContact O-NE2 3.26Å
276	L	97.2	Very high	94.5	Very high	17 Å²	17	46.7 Å²	46.7	9%	0.089	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	0.1	-179.1	-57.1	176.1	0	0	0	113.4	D63 A66 F67 R218 V273 Q274 R278	D63-L276 WeakPolarHBondContact OD1-CD2 3.41Å; A66-L276 HydrophobicContact CB-CD1 4.14Å; F67-L276 HydrophobicContact CB-CD1 3.71Å; F67-L276 HydrophobicContact CD2-CD1 3.96Å; F67-L276 HydrophobicContact CG-CD1 4.34Å; R218-L276 PolarHBondContact NH2-O 3.17Å; R218-L276 VanDerWaalsContact NH2-O 3.12Å; V273-L276 PolarHBondContact O-N 2.94Å; Q274-L276 PolarHBondContact O-N 2.8Å; L276-R278 PolarHBondContact O-N 3.07Å
277	C	97.6	Very high	93	Very high	12 Å²	12	52.5 Å²	52.5	8%	0.081	28%	0.281	C	S	.	.			trans	-93.6	100.3	-170.8	-175.1	0	0	0	0	112.2	V217 V273 Q274 A279 Y280 Q281	V217-C277 HydrophobicContact CG2-CB 4.38Å; V273-C277 PolarHBondContact O-N 3.48Å; Q274-C277 VanDerWaalsContact O-CB 3.29Å; Q274-C277 WeakPolarHBondContact O-CB 3.44Å; Q274-C277 PolarHBondContact O-N 3.07Å; C277-A279 VanDerWaalsContact C-N 3.32Å; C277-A279 PolarHBondContact O-N 3.31Å; C277-Y280 WeakPolarHBondContact O-CA 3.5Å; C277-Y280 WeakPolarHBondContact O-CB 3.29Å; C277-Y280 PolarHBondContact O-N 3.32Å; C277-Q281 PolarHBondContact O-N 3.47Å
278	R	95.7	Very high	91.3	Very high	43 Å²	43	56.2 Å²	56.2	16%	0.162	30%	0.3	C	S	.	.	H	α-helix	trans	-57.9	-39.1	-178	-63.4	-179.4	-168.5	-116.5	21.2	113.3	P54 Y55 L57 V217 A219 L276 Y280 Q281 R282	P54-R278 PolarHBondContact O-NH2 2.88Å; P54-R278 VanDerWaalsContact O-NH2 3.09Å; Y55-R278 HydrophobicContact CE2-CB 4.41Å; Y55-R278 HydrophobicContact CE2-CG 4.37Å; Y55-R278 WeakPolarHBondContact O-CD 3.37Å; Y55-R278 PolarHBondContact O-NE 2.92Å; Y55-R278 PolarHBondContact O-NH1 3.03Å; Y55-R278 PolarHBondContact O-NH2 3.33Å; L57-R278 PolarHBondContact O-NH2 3.25Å; V217-R278 WeakPolarHBondContact O-CB 3.31Å; V217-R278 WeakPolarHBondContact O-CG 3.28Å; V217-R278 PolarHBondContact O-N 2.97Å; A219-R278 HydrophobicContact CB-CB 3.91Å; L276-R278 PolarHBondContact O-N 3.07Å; R278-Y280 VanDerWaalsContact C-N 3.27Å; R278-Y280 PolarHBondContact O-N 2.92Å; R278-Q281 PolarHBondContact O-N 2.88Å; R278-R282 PolarHBondContact O-N 2.81Å
279	A	95.7	Very high	89.2	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-59.6	-36.2	173.9	0	0	0	0	0	113.2	R216 C277 V283 V323 F326	R216-A279 HydrophobicContact CB-CB 4.08Å; R216-A279 HydrophobicContact CG-CB 4.48Å; R216-A279 WeakPolarHBondContact O-CB 3.49Å; R216-A279 PolarHBondContact O-N 3.34Å; C277-A279 VanDerWaalsContact C-N 3.32Å; C277-A279 PolarHBondContact O-N 3.31Å; A279-V283 WeakPolarHBondContact O-CG2 3.13Å; A279-V283 PolarHBondContact O-N 3.48Å; A279-V323 HydrophobicContact CB-CB 4.04Å; A279-V323 HydrophobicContact CB-CG1 4.11Å; A279-F326 HydrophobicContact CB-CD2 3.47Å; A279-F326 VanDerWaalsContact CB-CD2 3.47Å; A279-F326 HydrophobicContact CB-CE2 3.87Å; A279-F326 HydrophobicContact CB-CG 4.45Å
280	Y	96	Very high	86.8	Confident	46 Å²	46	58.7 Å²	58.7	18%	0.18	32%	0.323	C	S	.	.	H	α-helix	trans	-74.7	-40.6	177.7	-177.3	-104.5	0	0	0	111.5	C268 Q274 C277 R278 R282 V283 Q284 V323	C268-Y280 HydrophobicContact CB-CD2 3.69Å; C268-Y280 HydrophobicContact CB-CE2 3.69Å; Q274-Y280 HydrophobicContact CG-CD1 3.34Å; Q274-Y280 HydrophobicContact CG-CE1 3.28Å; Q274-Y280 HydrophobicContact CG-CG 4.01Å; C277-Y280 WeakPolarHBondContact O-CA 3.5Å; C277-Y280 WeakPolarHBondContact O-CB 3.29Å; C277-Y280 PolarHBondContact O-N 3.32Å; R278-Y280 VanDerWaalsContact C-N 3.27Å; R278-Y280 PolarHBondContact O-N 2.92Å; Y280-R282 VanDerWaalsContact C-N 3.3Å; Y280-R282 PolarHBondContact O-N 3.07Å; Y280-V283 WeakPolarHBondContact O-CB 3.49Å; Y280-V283 PolarHBondContact O-N 3.27Å; Y280-V283 VanDerWaalsContact O-N 3.09Å; Y280-Q284 HydrophobicContact CD1-CG 4.2Å; Y280-Q284 HydrophobicContact CE1-CG 3.8Å; Y280-Q284 VanDerWaalsContact CE1-NE2 3.28Å; Y280-Q284 PolarHBondContact O-N 3.18Å; Y280-Q284 PolarHBondContact OH-NE2 3.39Å; Y280-V323 HydrophobicContact CD2-CG1 4.42Å
281	Q	94.3	Very high	84.2	Confident	56 Å²	56	59.4 Å²	59.4	26%	0.262	33%	0.331	S	S	.	.	H	α-helix	trans	-56.4	-42.8	171.9	-64.5	171.9	-1.7	0	0	111.4	S275 C277 R278 V283 Q284 R285	S275-Q281 PolarHBondContact O-NE2 3.26Å; C277-Q281 PolarHBondContact O-N 3.47Å; R278-Q281 PolarHBondContact O-N 2.88Å; Q281-V283 PolarHBondContact O-N 2.95Å; Q281-Q284 PolarHBondContact O-N 2.91Å; Q281-R285 WeakPolarHBondContact O-CG 3.34Å; Q281-R285 PolarHBondContact O-N 3.3Å
282	R	92.1	Very high	81.4	Confident	23 Å²	23	64.5 Å²	64.5	9%	0.087	36%	0.364	C	S	.	.	H	α-helix	trans	-60.4	-40.9	173.7	-167.7	169.5	174	131.4	-2.6	112.8	R278 Y280 G286 D296 E298 E299 W317	R278-R282 PolarHBondContact O-N 2.81Å; Y280-R282 VanDerWaalsContact C-N 3.3Å; Y280-R282 PolarHBondContact O-N 3.07Å; R282-G286 PolarHBondContact O-N 2.98Å; R282-D296 IonicContact CZ-OD2 3.76Å; R282-D296 IonicContact NE-OD2 3.92Å; R282-D296 PolarHBondContact NE-OD2 3.17Å; R282-D296 IonicContact NH1-OD2 2.87Å; R282-D296 PolarHBondContact NH1-OD2 2.88Å; R282-D296 IonicContact NH2-OD2 3.1Å; R282-D296 PolarHBondContact NH2-OD2 3.43Å; R282-E298 WeakPolarHBondContact CB-OE2 3.42Å; R282-E299 IonicContact CZ-OE1 2.99Å; R282-E299 IonicContact NH1-OE1 2.88Å; R282-E299 IonicContact NH2-OE1 3.86Å; R282-E299 PolarHBondContact NH2-OE1 2.9Å; R282-W317 HydrophobicContact CB-CH2 4.43Å; R282-W317 HydrophobicContact CG-CH2 4.26Å; R282-W317 HydrophobicContact CG-CZ2 4.23Å; R282-W317 HydrophobicContact CG-CZ3 4.46Å
283	V	91.7	Very high	78.8	Confident	26 Å²	26	67 Å²	67	16%	0.158	39%	0.394	C	S	.	.	H	α-helix	trans	-63.4	-47.6	175	174.1	0	0	0	0	111.3	A279 Y280 Q281 R285 G286 Q287 W317 V323	A279-V283 WeakPolarHBondContact O-CG2 3.13Å; A279-V283 PolarHBondContact O-N 3.48Å; Y280-V283 WeakPolarHBondContact O-CB 3.49Å; Y280-V283 PolarHBondContact O-N 3.27Å; Y280-V283 VanDerWaalsContact O-N 3.09Å; Q281-V283 PolarHBondContact O-N 2.95Å; V283-R285 PolarHBondContact O-N 3.04Å; V283-G286 PolarHBondContact O-N 3.06Å; V283-Q287 WeakPolarHBondContact O-CG 3.44Å; V283-Q287 PolarHBondContact O-N 2.95Å; V283-W317 HydrophobicContact CG2-CH2 3.75Å; V283-W317 HydrophobicContact CG2-CZ2 3.92Å; V283-V323 HydrophobicContact CG2-CG1 3.89Å
284	Q	90.5	Very high	76	Confident	74 Å²	74	78.3 Å²	78.3	35%	0.346	44%	0.436	S	S	.	.	H	α-helix	trans	-61.3	-43.1	178.5	-69.7	-177.6	-54.5	0	0	111.6	Y280 Q281 G286 Q287 L288	Y280-Q284 HydrophobicContact CD1-CG 4.2Å; Y280-Q284 HydrophobicContact CE1-CG 3.8Å; Y280-Q284 VanDerWaalsContact CE1-NE2 3.28Å; Y280-Q284 PolarHBondContact O-N 3.18Å; Y280-Q284 PolarHBondContact OH-NE2 3.39Å; Q281-Q284 PolarHBondContact O-N 2.91Å; Q284-G286 PolarHBondContact O-N 3.03Å; Q284-Q287 PolarHBondContact O-N 3.36Å; Q284-L288 WeakPolarHBondContact O-CG 3.23Å; Q284-L288 PolarHBondContact O-N 3.45Å
285	R	85	Confident	73.5	Confident	109 Å²	109	80.4 Å²	80.4	41%	0.411	46%	0.455	S	S	.	.	H	α-helix	trans	-63.3	-40.2	174.6	-71.3	-174	-165.7	150.1	19.2	112.2	Q281 V283 Q287 L288 S289 E298	Q281-R285 WeakPolarHBondContact O-CG 3.34Å; Q281-R285 PolarHBondContact O-N 3.3Å; V283-R285 PolarHBondContact O-N 3.04Å; R285-Q287 VanDerWaalsContact C-N 3.28Å; R285-Q287 PolarHBondContact O-N 3.03Å; R285-L288 CarbonylContact O-C 3.6Å; R285-L288 PolarHBondContact O-N 3Å; R285-S289 WeakPolarHBondContact O-CB 3.37Å; R285-S289 PolarHBondContact O-N 3.1Å; R285-S289 PolarHBondContact O-OG 3.01Å; R285-E298 IonicContact CZ-OE1 3.91Å; R285-E298 VanDerWaalsContact NH1-CG 3.35Å; R285-E298 IonicContact NH1-OE1 3.15Å; R285-E298 PolarHBondContact NH1-OE1 3.42Å; R285-E298 IonicContact NH2-OE1 3.35Å; R285-E298 PolarHBondContact NH2-OE1 2.89Å
286	G	76.3	Confident	71.4	Confident	51 Å²	51	79.2 Å²	79.2	53%	0.526	44%	0.442	S	S	.	.	H	α-helix	trans	-61.9	-33.2	175	0	0	0	0	0	113.5	R282 V283 Q284	R282-G286 PolarHBondContact O-N 2.98Å; V283-G286 PolarHBondContact O-N 3.06Å; Q284-G286 PolarHBondContact O-N 3.03Å
287	Q	66	Low	69.3	Low	147 Å²	147	85.3 Å²	85.3	69%	0.687	47%	0.474	S	S	*	.	H	α-helix	trans	-73.2	-35	173.8	-69.6	171.2	-14.3	0	0	112.6	V283 Q284 R285	V283-Q287 WeakPolarHBondContact O-CG 3.44Å; V283-Q287 PolarHBondContact O-N 2.95Å; Q284-Q287 PolarHBondContact O-N 3.36Å; R285-Q287 VanDerWaalsContact C-N 3.28Å; R285-Q287 PolarHBondContact O-N 3.03Å
288	L	61.1	Low	67.3	Low	145 Å²	145	85.2 Å²	85.2	76%	0.759	47%	0.472	S	S	*	.	H	α-helix	trans	-81.2	-24.2	177.9	-68.1	164.9	0	0	0	113.6	Q284 R285	Q284-L288 WeakPolarHBondContact O-CG 3.23Å; Q284-L288 PolarHBondContact O-N 3.45Å; R285-L288 CarbonylContact O-C 3.6Å; R285-L288 PolarHBondContact O-N 3Å
289	S	53.7	Low	65.4	Low	75 Å²	75	86.9 Å²	86.9	52%	0.524	48%	0.481	S	S	.	.			trans	-105.5	42.5	-169.1	-47.8	0	0	0	0	113	R285 L291	R285-S289 WeakPolarHBondContact O-CB 3.37Å; R285-S289 PolarHBondContact O-N 3.1Å; R285-S289 PolarHBondContact O-OG 3.01Å; S289-L291 PolarHBondContact O-N 3.36Å
290	A	46	Very low	63.7	Low	94 Å²	94	87.2 Å²	87.2	78%	0.777	48%	0.484	S	S	*	.			trans	-65.3	0.3	169.3	0	0	0	0	0	113.6
291	L	41.2	Very low	61.6	Low	150 Å²	150	87.1 Å²	87.1	79%	0.785	49%	0.492	S	S	*	.	S	Bend	trans	-87.2	117.8	169.7	-67.7	171.1	0	0	0	110.1	S289	S289-L291 PolarHBondContact O-N 3.36Å
292	P	39.1	Very low	59.5	Low	130 Å²	130	89 Å²	89	84%	0.844	50%	0.504	S	S	*	.	S	Bend	trans	-70.2	141.4	177	29.5	-34	0	0	0	111.2
293	G	44.2	Very low	57.5	Low	78 Å²	78	94.7 Å²	94.7	80%	0.804	54%	0.536	S	S	*	.			trans	125.7	8	161.4	0	0	0	0	0	118.8
294	R	39.3	Very low	55.8	Low	239 Å²	239	96.9 Å²	96.9	90%	0.902	55%	0.549	S	S	*	.			trans	-108.7	130.6	166.6	-73.5	-170.9	176.2	-170.6	-0.7	111.2
295	P	45.5	Very low	54.2	Low	98 Å²	98	104.3 Å²	104.3	64%	0.636	57%	0.574	S	S	*	*			trans	-61	137.5	173.5	-14.9	26.3	0	0	0	110.6	I297 L302	P295-I297 PolarHBondContact O-N 2.95Å; P295-L302 HydrophobicContact CB-CD1 3.68Å
296	D	52.1	Low	53.5	Low	50 Å²	50	106.6 Å²	106.6	27%	0.267	59%	0.59	S	S	.	*			trans	-72.2	101.7	176.9	-175.4	4.3	0	0	0	109.9	R282 E298 E299 L302	R282-D296 IonicContact CZ-OD2 3.76Å; R282-D296 IonicContact NE-OD2 3.92Å; R282-D296 PolarHBondContact NE-OD2 3.17Å; R282-D296 IonicContact NH1-OD2 2.87Å; R282-D296 PolarHBondContact NH1-OD2 2.88Å; R282-D296 IonicContact NH2-OD2 3.1Å; R282-D296 PolarHBondContact NH2-OD2 3.43Å; D296-E298 PolarHBondContact O-N 3.31Å; D296-E298 WeakPolarHBondContact OD1-CB 3.36Å; D296-E298 PolarHBondContact OD1-N 2.93Å; D296-E298 VanDerWaalsContact OD1-N 3.15Å; D296-E299 PolarHBondContact O-N 3.47Å; D296-L302 WeakPolarHBondContact O-CD1 3.49Å
297	I	52.3	Low	53.8	Low	146 Å²	146	105 Å²	105	75%	0.749	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.1	-19.8	-180	-66.9	171.8	0	0	0	112.3	P295	P295-I297 PolarHBondContact O-N 2.95Å
298	E	55.1	Low	54.8	Low	9 Å²	9	103.3 Å²	103.3	4%	0.042	56%	0.563	C	S	.	*	T	Hydrogen-bonded Turn	trans	-81.3	-15.3	178.4	-56.3	-161	156	0	0	114.2	Y55 R282 R285 D296 C300	Y55-E298 HydrophobicContact CE1-CB 4.38Å; Y55-E298 HydrophobicContact CE2-CB 3.74Å; Y55-E298 HydrophobicContact CE2-CG 3.66Å; Y55-E298 VanDerWaalsContact OH-CD 3.3Å; Y55-E298 PolarHBondContact OH-OE2 3.01Å; R282-E298 WeakPolarHBondContact CB-OE2 3.42Å; R285-E298 IonicContact CZ-OE1 3.91Å; R285-E298 VanDerWaalsContact NH1-CG 3.35Å; R285-E298 IonicContact NH1-OE1 3.15Å; R285-E298 PolarHBondContact NH1-OE1 3.42Å; R285-E298 IonicContact NH2-OE1 3.35Å; R285-E298 PolarHBondContact NH2-OE1 2.89Å; D296-E298 PolarHBondContact O-N 3.31Å; D296-E298 WeakPolarHBondContact OD1-CB 3.36Å; D296-E298 PolarHBondContact OD1-N 2.93Å; D296-E298 VanDerWaalsContact OD1-N 3.15Å; E298-C300 VanDerWaalsContact C-N 3.35Å; E298-C300 PolarHBondContact O-N 3.44Å
299	E	56.8	Low	56.2	Low	78 Å²	78	96.5 Å²	96.5	36%	0.364	53%	0.527	S	S	.	.			trans	-76	91.7	167	-72.2	-171.1	-175.3	0	0	109.5	R282 D296 A301 L302	R282-E299 IonicContact CZ-OE1 2.99Å; R282-E299 IonicContact NH1-OE1 2.88Å; R282-E299 IonicContact NH2-OE1 3.86Å; R282-E299 PolarHBondContact NH2-OE1 2.9Å; D296-E299 PolarHBondContact O-N 3.47Å; E299-A301 PolarHBondContact O-N 3.45Å; E299-L302 HydrophobicContact CB-CD1 4.24Å; E299-L302 HydrophobicContact CB-CG 4.18Å; E299-L302 WeakPolarHBondContact O-CB 3.46Å; E299-L302 PolarHBondContact O-N 3.28Å
300	C	59	Low	57.8	Low	8 Å²	8	93.8 Å²	93.8	5%	0.054	51%	0.508	C	S	.	.	H	α-helix	trans	-53	-25.3	172.2	-58.1	0	0	0	0	111.6	S53 Y55 E298 L302 N303 T304 C307	S53-C300 WeakPolarHBondContact CB-SG 3.32Å; S53-C300 PolarHBondContact OG-SG 3.1Å; Y55-C300 VanDerWaalsContact CB-SG 3.58Å; E298-C300 VanDerWaalsContact C-N 3.35Å; E298-C300 PolarHBondContact O-N 3.44Å; C300-L302 PolarHBondContact O-N 3.07Å; C300-N303 PolarHBondContact O-N 3Å; C300-T304 PolarHBondContact O-N 3.25Å; C300-T304 PolarHBondContact O-OG1 3.29Å; C300-C307 HydrophobicContact CB-CB 3.73Å
301	A	51.5	Low	59.7	Low	43 Å²	43	90.8 Å²	90.8	36%	0.355	48%	0.478	S	S	.	.	H	α-helix	trans	-52.9	-31.4	170.5	0	0	0	0	0	114.2	E299 R305	E299-A301 PolarHBondContact O-N 3.45Å; A301-R305 VanDerWaalsContact O-CA 3.22Å; A301-R305 WeakPolarHBondContact O-CA 3.41Å; A301-R305 VanDerWaalsContact O-CG 3.31Å; A301-R305 WeakPolarHBondContact O-CG 3.27Å; A301-R305 PolarHBondContact O-N 3.12Å
302	L	50.3	Low	61.5	Low	97 Å²	97	86.8 Å²	86.8	51%	0.508	46%	0.46	S	S	.	.	H	α-helix	trans	-69.7	-34.6	176	-66.2	173.1	0	0	0	112.6	P295 D296 E299 C300	P295-L302 HydrophobicContact CB-CD1 3.68Å; D296-L302 WeakPolarHBondContact O-CD1 3.49Å; E299-L302 HydrophobicContact CB-CD1 4.24Å; E299-L302 HydrophobicContact CB-CG 4.18Å; E299-L302 WeakPolarHBondContact O-CB 3.46Å; E299-L302 PolarHBondContact O-N 3.28Å; C300-L302 PolarHBondContact O-N 3.07Å
303	N	51.5	Low	63.4	Low	141 Å²	141	86.4 Å²	86.4	75%	0.754	46%	0.461	S	S	*	.	H	α-helix	trans	-96.1	-22.4	-179.6	-73.2	-9.7	0	0	0	114	C300	C300-N303 PolarHBondContact O-N 3Å
304	T	55.8	Low	65.1	Low	72 Å²	72	87.3 Å²	87.3	44%	0.442	46%	0.455	S	S	.	.	H	α-helix	trans	-131	-15.9	-175.3	65.3	0	0	0	0	115.6	C300 Q306	C300-T304 PolarHBondContact O-N 3.25Å; C300-T304 PolarHBondContact O-OG1 3.29Å; T304-Q306 WeakPolarHBondContact O-CB 3.44Å; T304-Q306 VanDerWaalsContact O-CG 3.32Å; T304-Q306 WeakPolarHBondContact O-CG 3.37Å; T304-Q306 PolarHBondContact O-N 2.94Å
305	R	56.1	Low	67.1	Low	230 Å²	230	78.2 Å²	78.2	87%	0.868	43%	0.428	S	S	*	.	S	Bend	trans	49.1	-2.5	-172	-69.6	-167	-178.4	-163.8	3.2	117.5	A301	A301-R305 VanDerWaalsContact O-CA 3.22Å; A301-R305 WeakPolarHBondContact O-CA 3.41Å; A301-R305 VanDerWaalsContact O-CG 3.31Å; A301-R305 WeakPolarHBondContact O-CG 3.27Å; A301-R305 PolarHBondContact O-N 3.12Å
306	Q	71	Confident	68.9	Low	158 Å²	158	77.7 Å²	77.7	74%	0.738	42%	0.424	S	S	*	.			trans	-129.2	4.8	-164.7	-64.9	175.5	8.5	0	0	112.8	T304 Q308	T304-Q306 WeakPolarHBondContact O-CB 3.44Å; T304-Q306 VanDerWaalsContact O-CG 3.32Å; T304-Q306 WeakPolarHBondContact O-CG 3.37Å; T304-Q306 PolarHBondContact O-N 2.94Å; Q306-Q308 WeakPolarHBondContact O-CG 3.21Å; Q306-Q308 PolarHBondContact O-N 3.03Å
307	C	82.3	Confident	70.6	Confident	18 Å²	18	77.6 Å²	77.6	12%	0.122	42%	0.42	C	S	.	.			trans	-63.9	108.6	-178.1	-170.8	0	0	0	0	111.5	H56 C300 L309 C310	H56-C307 VanDerWaalsContact CD2-SG 3.55Å; H56-C307 PolarHBondContact NE2-SG 3.32Å; H56-C307 VanDerWaalsContact NE2-SG 3.43Å; C300-C307 HydrophobicContact CB-CB 3.73Å; C307-L309 PolarHBondContact O-N 3.02Å; C307-C310 HydrophobicContact CB-CB 4.44Å; C307-C310 VanDerWaalsContact SG-SG 3.69Å
308	Q	86.9	Confident	72.3	Confident	111 Å²	111	73.6 Å²	73.6	52%	0.519	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	2.1	-174.4	-56.4	-177.4	23	0	0	114	A222 L228 Q306	A222-Q308 WeakPolarHBondContact CB-O 3.46Å; L228-Q308 HydrophobicContact CD2-CB 3.4Å; L228-Q308 VanDerWaalsContact CD2-CB 3.4Å; L228-Q308 HydrophobicContact CD2-CG 4.4Å; Q306-Q308 WeakPolarHBondContact O-CG 3.21Å; Q306-Q308 PolarHBondContact O-N 3.03Å
309	L	90.2	Very high	73.9	Confident	1 Å²	1	78 Å²	78	1%	0.005	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-16	179.5	-62.1	-171.8	0	0	0	114.2	V52 H56 I220 G221 A222 L228 V229 H232 C307	V52-L309 HydrophobicContact CB-CD1 4.43Å; V52-L309 HydrophobicContact CG1-CD1 3.5Å; V52-L309 HydrophobicContact CG1-CG 4.48Å; V52-L309 HydrophobicContact CG2-CD1 4.06Å; H56-L309 HydrophobicContact CB-CD1 3.71Å; I220-L309 CarbonylContact C-O 3.59Å; I220-L309 WeakPolarHBondContact CA-O 3.45Å; I220-L309 HydrophobicContact CG2-CB 4.24Å; I220-L309 HydrophobicContact CG2-CD2 4.27Å; G221-L309 PolarHBondContact N-O 2.83Å; A222-L309 PolarHBondContact N-O 2.92Å; A222-L309 VanDerWaalsContact N-O 3.17Å; L228-L309 HydrophobicContact CD2-CD2 3.92Å; L228-L309 HydrophobicContact CG-CD2 4.27Å; V229-L309 HydrophobicContact CG2-CD2 3.69Å; H232-L309 HydrophobicContact CB-CD1 4.47Å; C307-L309 PolarHBondContact O-N 3.02Å
310	C	88	Confident	75.5	Confident	18 Å²	18	79.1 Å²	79.1	12%	0.122	45%	0.446	C	S	.	.	S	Bend	trans	-65.3	169.5	177	-75.9	0	0	0	0	112.2	H56 G221 A222 C307	H56-C310 PolarHBondContact NE2-SG 3.39Å; H56-C310 VanDerWaalsContact NE2-SG 3.39Å; G221-C310 CarbonylContact C-O 3.51Å; A222-C310 PolarHBondContact N-O 2.84Å; A222-C310 VanDerWaalsContact N-O 3.17Å; C307-C310 HydrophobicContact CB-CB 4.44Å; C307-C310 VanDerWaalsContact SG-SG 3.69Å
311	L	85.4	Confident	77	Confident	32 Å²	32	82.2 Å²	82.2	17%	0.168	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-58.6	137.7	162.7	-71.9	168.7	0	0	0	109.5	W317 F326 R328	L311-W317 HydrophobicContact CD1-CB 4.03Å; L311-W317 HydrophobicContact CD1-CE3 4.08Å; L311-F326 HydrophobicContact CD1-CE1 4.1Å; L311-F326 HydrophobicContact CD1-CZ 4.05Å; L311-F326 HydrophobicContact CD2-CE1 4.2Å; L311-F326 HydrophobicContact CG-CE1 3.83Å; L311-F326 HydrophobicContact CG-CZ 4.27Å; L311-R328 HydrophobicContact CD2-CG 3.65Å
312	T	79.8	Confident	78.9	Confident	65 Å²	65	80.8 Å²	80.8	40%	0.399	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-76.5	153.1	176.5	57.8	0	0	0	0	110.7	S314 S315	T312-S314 WeakPolarHBondContact CB-OG 3.47Å; T312-S314 PolarHBondContact O-N 3.49Å; T312-S314 VanDerWaalsContact O-N 3.16Å; T312-S314 PolarHBondContact OG1-OG 2.95Å; T312-S315 CarbonylContact O-C 3.41Å; T312-S315 VanDerWaalsContact O-C 3.25Å; T312-S315 PolarHBondContact O-N 3.42Å
313	S	77.6	Confident	81.1	Confident	123 Å²	123	76.8 Å²	76.8	86%	0.86	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-24.2	172.8	51.3	0	0	0	0	113.3	S315	S313-S315 VanDerWaalsContact C-N 3.27Å; S313-S315 PolarHBondContact O-N 3.15Å
314	S	80.2	Confident	83.1	Confident	97 Å²	97	70.8 Å²	70.8	68%	0.678	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-5.5	172.5	59.3	0	0	0	0	114.7	T312	T312-S314 WeakPolarHBondContact CB-OG 3.47Å; T312-S314 PolarHBondContact O-N 3.49Å; T312-S314 VanDerWaalsContact O-N 3.16Å; T312-S314 PolarHBondContact OG1-OG 2.95Å
315	S	81.1	Confident	84.8	Confident	47 Å²	47	67.3 Å²	67.3	33%	0.329	38%	0.379	S	S	.	.	S	Bend	trans	-149.2	58.7	179.7	-70.2	0	0	0	0	110.7	T312 S313 R328	T312-S315 CarbonylContact O-C 3.41Å; T312-S315 VanDerWaalsContact O-C 3.25Å; T312-S315 PolarHBondContact O-N 3.42Å; S313-S315 VanDerWaalsContact C-N 3.27Å; S313-S315 PolarHBondContact O-N 3.15Å; S315-R328 PolarHBondContact O-NE 3.46Å; S315-R328 PolarHBondContact O-NH2 3.29Å
316	P	84.4	Confident	86.7	Confident	88 Å²	88	56.6 Å²	56.6	57%	0.571	34%	0.338	S	S	*	.			trans	-63.4	157	-173.8	30.8	-37.5	0	0	0	111.7	D318 R328	P316-D318 PolarHBondContact O-N 2.88Å; P316-R328 PolarHBondContact O-NH2 3.09Å
317	W	87.3	Confident	87.7	Confident	48 Å²	48	50.3 Å²	50.3	18%	0.182	31%	0.311	C	S	.	.			trans	-51.2	126.8	-177.6	171.9	-95.2	0	0	0	112.9	R282 V283 L311 G322 N325 F326	R282-W317 HydrophobicContact CB-CH2 4.43Å; R282-W317 HydrophobicContact CG-CH2 4.26Å; R282-W317 HydrophobicContact CG-CZ2 4.23Å; R282-W317 HydrophobicContact CG-CZ3 4.46Å; V283-W317 HydrophobicContact CG2-CH2 3.75Å; V283-W317 HydrophobicContact CG2-CZ2 3.92Å; L311-W317 HydrophobicContact CD1-CB 4.03Å; L311-W317 HydrophobicContact CD1-CE3 4.08Å; W317-G322 WeakPolarHBondContact CH2-O 3.43Å; W317-G322 WeakPolarHBondContact CZ3-O 3.46Å; W317-N325 HydrophobicContact CE3-CB 3.68Å; W317-N325 VanDerWaalsContact CE3-CG 3.48Å; W317-N325 VanDerWaalsContact CE3-ND2 3.34Å; W317-N325 HydrophobicContact CZ3-CB 3.6Å; W317-N325 VanDerWaalsContact CZ3-ND2 3.31Å; W317-N325 WeakPolarHBondContact CZ3-ND2 3.34Å; W317-F326 HydrophobicContact CE3-CE2 4.13Å; W317-F326 HydrophobicContact CE3-CZ 4.45Å; W317-F326 HydrophobicContact CZ3-CD2 4.14Å; W317-F326 AromaticContact CZ3-CE2 3.55Å; W317-F326 HydrophobicContact CZ3-CE2 3.55Å; W317-F326 HydrophobicContact CZ3-CZ 4.31Å
318	D	88.9	Confident	87.8	Confident	61 Å²	61	51.5 Å²	51.5	33%	0.326	31%	0.313	S	S	.	.			trans	-106.3	108.4	174.6	176.8	-8.4	0	0	0	109.4	P316 S320 M321 N325	P316-D318 PolarHBondContact O-N 2.88Å; D318-S320 PolarHBondContact O-N 3.01Å; D318-S320 VanDerWaalsContact O-N 3.14Å; D318-S320 VanDerWaalsContact OD1-CB 3.27Å; D318-S320 WeakPolarHBondContact OD1-CB 3.45Å; D318-S320 PolarHBondContact OD1-N 2.88Å; D318-S320 PolarHBondContact OD1-OG 3.32Å; D318-S320 PolarHBondContact OD2-OG 3.34Å; D318-S320 VanDerWaalsContact OD2-OG 3.13Å; D318-M321 HydrophobicContact CB-CB 4.46Å; D318-M321 HydrophobicContact CB-CG 4.1Å; D318-M321 HydrophobicContact CB-SD 4.16Å; D318-M321 PolarHBondContact O-N 2.84Å; D318-M321 VanDerWaalsContact O-N 3.15Å; D318-N325 PolarHBondContact N-OD1 3.33Å; D318-N325 PolarHBondContact O-ND2 3.46Å
319	P	88.4	Confident	87.2	Confident	101 Å²	101	54 Å²	54	66%	0.656	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-55.3	-30.6	179.5	-26.5	35.1	0	0	0	114.2	M321 G322	P319-M321 VanDerWaalsContact C-N 3.28Å; P319-M321 PolarHBondContact O-N 2.67Å; P319-G322 PolarHBondContact O-N 3.23Å
320	S	89.5	Confident	86.3	Confident	103 Å²	103	55.9 Å²	55.9	72%	0.72	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-68.2	-27.2	-178.1	77.5	0	0	0	0	113.1	D318	D318-S320 PolarHBondContact O-N 3.01Å; D318-S320 VanDerWaalsContact O-N 3.14Å; D318-S320 VanDerWaalsContact OD1-CB 3.27Å; D318-S320 WeakPolarHBondContact OD1-CB 3.45Å; D318-S320 PolarHBondContact OD1-N 2.88Å; D318-S320 PolarHBondContact OD1-OG 3.32Å; D318-S320 PolarHBondContact OD2-OG 3.34Å; D318-S320 VanDerWaalsContact OD2-OG 3.13Å
321	M	90.6	Very high	85.6	Confident	73 Å²	73	61 Å²	61	36%	0.36	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-80.5	-18.1	176.3	-65.4	-175.7	75.6	0	0	112.9	D318 P319 V323 A324 R328	D318-M321 HydrophobicContact CB-CB 4.46Å; D318-M321 HydrophobicContact CB-CG 4.1Å; D318-M321 HydrophobicContact CB-SD 4.16Å; D318-M321 PolarHBondContact O-N 2.84Å; D318-M321 VanDerWaalsContact O-N 3.15Å; P319-M321 VanDerWaalsContact C-N 3.28Å; P319-M321 PolarHBondContact O-N 2.67Å; M321-V323 PolarHBondContact O-N 2.94Å; M321-A324 HydrophobicContact CB-CB 4.5Å; M321-A324 WeakPolarHBondContact CE-O 3.26Å; M321-A324 WeakPolarHBondContact O-CA 3.25Å; M321-A324 WeakPolarHBondContact O-CB 3.35Å; M321-A324 PolarHBondContact O-N 3.27Å; M321-R328 PolarHBondContact SD-NH1 3.07Å
322	G	92.8	Very high	85	Confident	13 Å²	13	70.6 Å²	70.6	13%	0.134	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	50.4	-131.4	-173.7	0	0	0	0	0	112.4	W317 P319 A324 N325	W317-G322 WeakPolarHBondContact CH2-O 3.43Å; W317-G322 WeakPolarHBondContact CZ3-O 3.46Å; P319-G322 PolarHBondContact O-N 3.23Å; G322-A324 PolarHBondContact O-N 3.02Å; G322-A324 VanDerWaalsContact O-N 3.09Å; G322-N325 PolarHBondContact O-N 3.28Å; G322-N325 PolarHBondContact O-ND2 2.84Å
323	V	95	Very high	85.3	Confident	12 Å²	12	78.7 Å²	78.7	7%	0.073	43%	0.431	C	S	.	.	G	3₁₀ helix	trans	-64.9	-13.8	178.3	-49.4	0	0	0	0	113.7	R216 P266 A279 Y280 V283 M321 N325 F326	R216-V323 PolarHBondContact NE-O 3.38Å; P266-V323 HydrophobicContact CB-CG2 4.46Å; P266-V323 HydrophobicContact CG-CG2 3.35Å; A279-V323 HydrophobicContact CB-CB 4.04Å; A279-V323 HydrophobicContact CB-CG1 4.11Å; Y280-V323 HydrophobicContact CD2-CG1 4.42Å; V283-V323 HydrophobicContact CG2-CG1 3.89Å; M321-V323 PolarHBondContact O-N 2.94Å; V323-N325 PolarHBondContact O-N 3.5Å; V323-F326 PolarHBondContact O-N 3.37Å; V323-F326 VanDerWaalsContact O-N 3.13Å
324	A	93.6	Very high	85.7	Confident	15 Å²	15	78.4 Å²	78.4	12%	0.124	43%	0.427	C	S	.	.	G	3₁₀ helix	trans	-75.8	-2	177.8	0	0	0	0	0	113.9	M321 G322 F326	M321-A324 HydrophobicContact CB-CB 4.5Å; M321-A324 WeakPolarHBondContact CE-O 3.26Å; M321-A324 WeakPolarHBondContact O-CA 3.25Å; M321-A324 WeakPolarHBondContact O-CB 3.35Å; M321-A324 PolarHBondContact O-N 3.27Å; G322-A324 PolarHBondContact O-N 3.02Å; G322-A324 VanDerWaalsContact O-N 3.09Å; A324-F326 PolarHBondContact O-N 2.78Å
325	N	92.8	Very high	86.1	Confident	0 Å²	0	76.5 Å²	76.5	0%	0	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-56.6	-26.8	159.7	-76.9	-78.8	0	0	0	112.2	W317 D318 G322 V323 P327 R328	W317-N325 HydrophobicContact CE3-CB 3.68Å; W317-N325 VanDerWaalsContact CE3-CG 3.48Å; W317-N325 VanDerWaalsContact CE3-ND2 3.34Å; W317-N325 HydrophobicContact CZ3-CB 3.6Å; W317-N325 VanDerWaalsContact CZ3-ND2 3.31Å; W317-N325 WeakPolarHBondContact CZ3-ND2 3.34Å; D318-N325 PolarHBondContact N-OD1 3.33Å; D318-N325 PolarHBondContact O-ND2 3.46Å; G322-N325 PolarHBondContact O-N 3.28Å; G322-N325 PolarHBondContact O-ND2 2.84Å; V323-N325 PolarHBondContact O-N 3.5Å; N325-P327 CarbonylContact O-C 3.6Å; N325-R328 PolarHBondContact O-N 2.99Å; N325-R328 VanDerWaalsContact OD1-CZ 3.28Å; N325-R328 PolarHBondContact OD1-NH1 2.82Å; N325-R328 VanDerWaalsContact OD1-NH1 3.07Å; N325-R328 PolarHBondContact OD1-NH2 3.17Å
326	F	94.5	Very high	86.7	Confident	5 Å²	5	81.1 Å²	81.1	2%	0.022	42%	0.422	C	S	.	.	S	Bend	trans	-113.3	131.9	-177.2	-57.3	-73	0	0	0	112.1	R216 A219 I220 A279 L311 W317 V323 A324	R216-F326 HydrophobicContact CG-CB 3.83Å; R216-F326 VanDerWaalsContact CG-O 3.29Å; R216-F326 WeakPolarHBondContact CG-O 3.49Å; R216-F326 PolarHBondContact NE-O 2.9Å; A219-F326 VanDerWaalsContact C-CE1 3.44Å; A219-F326 HydrophobicContact CB-CE1 4.13Å; A219-F326 HydrophobicContact CB-CE2 4Å; A219-F326 HydrophobicContact CB-CZ 3.74Å; A219-F326 VanDerWaalsContact O-CE1 3.28Å; A219-F326 WeakPolarHBondContact O-CE1 3.35Å; I220-F326 WeakPolarHBondContact O-CD1 3.44Å; A279-F326 HydrophobicContact CB-CD2 3.47Å; A279-F326 VanDerWaalsContact CB-CD2 3.47Å; A279-F326 HydrophobicContact CB-CE2 3.87Å; A279-F326 HydrophobicContact CB-CG 4.45Å; L311-F326 HydrophobicContact CD1-CE1 4.1Å; L311-F326 HydrophobicContact CD1-CZ 4.05Å; L311-F326 HydrophobicContact CD2-CE1 4.2Å; L311-F326 HydrophobicContact CG-CE1 3.83Å; L311-F326 HydrophobicContact CG-CZ 4.27Å; W317-F326 HydrophobicContact CE3-CE2 4.13Å; W317-F326 HydrophobicContact CE3-CZ 4.45Å; W317-F326 HydrophobicContact CZ3-CD2 4.14Å; W317-F326 AromaticContact CZ3-CE2 3.55Å; W317-F326 HydrophobicContact CZ3-CE2 3.55Å; W317-F326 HydrophobicContact CZ3-CZ 4.31Å; V323-F326 PolarHBondContact O-N 3.37Å; V323-F326 VanDerWaalsContact O-N 3.13Å; A324-F326 PolarHBondContact O-N 2.78Å
327	P	92.5	Very high	87.1	Confident	25 Å²	25	82 Å²	82	16%	0.162	42%	0.419	C	S	.	.	S	Bend	cis	-69.8	156.8	-19.4	32.2	-35	0	0	0	111.1	L211 C215 P224 N325 K329	L211-P327 HydrophobicContact CD2-CB 4.49Å; L211-P327 HydrophobicContact CD2-CG 3.96Å; C215-P327 HydrophobicContact CB-CB 3.97Å; C215-P327 HydrophobicContact CB-CG 4.39Å; P224-P327 HydrophobicContact CB-CB 4.4Å; P224-P327 HydrophobicContact CG-CB 4.09Å; N325-P327 CarbonylContact O-C 3.6Å; P327-K329 PolarHBondContact O-N 3.37Å
328	R	83.6	Confident	87.4	Confident	43 Å²	43	81.8 Å²	81.8	16%	0.162	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-64.3	135.5	166.1	-73.3	-63.9	-166.9	-160.7	-2	109.7	L311 S315 P316 M321 N325 A330	L311-R328 HydrophobicContact CD2-CG 3.65Å; S315-R328 PolarHBondContact O-NE 3.46Å; S315-R328 PolarHBondContact O-NH2 3.29Å; P316-R328 PolarHBondContact O-NH2 3.09Å; M321-R328 PolarHBondContact SD-NH1 3.07Å; N325-R328 PolarHBondContact O-N 2.99Å; N325-R328 VanDerWaalsContact OD1-CZ 3.28Å; N325-R328 PolarHBondContact OD1-NH1 2.82Å; N325-R328 VanDerWaalsContact OD1-NH1 3.07Å; N325-R328 PolarHBondContact OD1-NH2 3.17Å; R328-A330 PolarHBondContact O-N 2.83Å
329	K	75.5	Confident	87.5	Confident	163 Å²	163	82.3 Å²	82.3	71%	0.709	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-73.3	119.6	177.5	-69.7	179.5	-175.2	169.6	0	109.4	P327	P327-K329 PolarHBondContact O-N 3.37Å
330	A	72.2	Confident	87.8	Confident	42 Å²	42	77.7 Å²	77.7	35%	0.347	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-58.6	139.5	165.9	0	0	0	0	0	110.4	T225 R328	T225-A330 HydrophobicContact CG2-CB 4.08Å; R328-A330 PolarHBondContact O-N 2.83Å
331	S	71.6	Confident	88	Confident	125 Å²	125	72.8 Å²	72.8	87%	0.874	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-65.7	134.1	174.3	55.5	0	0	0	0	110.1
332	R	74	Confident	88.2	Confident	234 Å²	234	69.3 Å²	69.3	88%	0.883	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-102.4	133.3	176.8	-65.8	-174.8	178.5	-167.8	-1.8	109.3
333	R	84.9	Confident	88.4	Confident	235 Å²	235	68.7 Å²	68.7	89%	0.887	33%	0.33	S	S	*	.	P	Polyproline II helix	trans	-65.9	146.7	169.4	-64.3	-176.8	-176.5	-178	0.4	109.5
334	P	87	Confident	88.4	Confident	117 Å²	117	68.1 Å²	68.1	76%	0.76	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-61.8	150.9	173.3	26.8	-34.3	0	0	0	111
335	P	89.2	Confident	88.4	Confident	57 Å²	57	67.4 Å²	67.4	37%	0.37	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-58	146.7	169.1	-21.8	33.8	0	0	0	111.1
336	R	92.6	Very high	88.3	Confident	143 Å²	143	68.2 Å²	68.2	54%	0.54	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	146.3	171.7	77.2	-161	-172	-159.8	1.9	110	E338 H417 I418 K419	R336-E338 IonicContact CZ-OE1 3.86Å; R336-E338 IonicContact NE-OE1 2.67Å; R336-E338 PolarHBondContact NE-OE1 3.49Å; R336-E338 IonicContact NH2-OE1 2.95Å; R336-E338 PolarHBondContact NH2-OE1 2.81Å; R336-H417 WeakPolarHBondContact CG-O 3.3Å; R336-H417 PolarHBondContact N-O 2.93Å; R336-I418 HydrophobicContact CG-CB 4.48Å; R336-I418 HydrophobicContact CG-CG1 4.28Å; R336-I418 HydrophobicContact CG-CG2 4.29Å; R336-I418 CarbonylContact O-C 3.52Å; R336-I418 VanDerWaalsContact O-CA 3.3Å; R336-I418 WeakPolarHBondContact O-CA 3.37Å; R336-K419 PolarHBondContact O-N 2.88Å
337	E	92.9	Very high	87.9	Confident	107 Å²	107	68.5 Å²	68.5	50%	0.5	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	137.2	176.2	-55.6	-160.2	134.5	0	0	110.2	K419	E337-K419 WeakPolarHBondContact CA-O 3.22Å; E337-K419 HydrophobicContact CG-CD 4.39Å; E337-K419 WeakPolarHBondContact OE1-CD 3.47Å; E337-K419 WeakPolarHBondContact OE1-CE 3.36Å; E337-K419 IonicContact OE1-NZ 3.8Å; E337-K419 PolarHBondContact OE1-NZ 3.43Å
338	E	93.1	Very high	87.4	Confident	43 Å²	43	70.7 Å²	70.7	20%	0.201	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	150.8	176.6	-74.9	178.6	-153.7	0	0	109.7	R336 I418 K419 L420 T421	R336-E338 IonicContact CZ-OE1 3.86Å; R336-E338 IonicContact NE-OE1 2.67Å; R336-E338 PolarHBondContact NE-OE1 3.49Å; R336-E338 IonicContact NH2-OE1 2.95Å; R336-E338 PolarHBondContact NH2-OE1 2.81Å; E338-I418 HydrophobicContact CB-CG2 3.87Å; E338-I418 HydrophobicContact CG-CG2 3.71Å; E338-I418 WeakPolarHBondContact OE1-CG2 3.42Å; E338-K419 PolarHBondContact N-O 3.11Å; E338-L420 HydrophobicContact CB-CD1 3.72Å; E338-L420 WeakPolarHBondContact O-CA 3.37Å; E338-T421 PolarHBondContact O-N 3.19Å
339	Y	92.4	Very high	86.9	Confident	72 Å²	72	69.7 Å²	69.7	28%	0.282	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	145.9	179.5	-62.5	-93.4	0	0	0	110.3	L378 P380 T421	Y339-L378 PolarHBondContact O-N 3.19Å; Y339-P380 HydrophobicContact CD2-CG 4.33Å; Y339-P380 HydrophobicContact CE2-CG 4.27Å; Y339-T421 WeakPolarHBondContact CA-O 3.45Å; Y339-T421 HydrophobicContact CD1-CG2 4.33Å; Y339-T421 HydrophobicContact CE1-CG2 4.49Å
340	S	93.7	Very high	86.2	Confident	4 Å²	4	67 Å²	67	3%	0.028	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	140.7	175	178.6	0	0	0	0	110.5	V376 T421 Y422 Q423	S340-V376 CarbonylContact C-O 3.42Å; S340-V376 WeakPolarHBondContact CA-O 3.46Å; S340-V376 WeakPolarHBondContact CB-O 3.21Å; S340-V376 PolarHBondContact OG-O 2.83Å; S340-T421 PolarHBondContact N-O 3.22Å; S340-Y422 CarbonylContact O-C 3.49Å; S340-Y422 VanDerWaalsContact O-CA 3.28Å; S340-Y422 WeakPolarHBondContact O-CA 3.39Å; S340-Q423 PolarHBondContact O-N 3.3Å
341	A	93.8	Very high	85.8	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	132.4	164.6	0	0	0	0	0	108.9	S375 V376 L378 L389 Q423 Y425	A341-S375 CarbonylContact O-C 3.25Å; A341-S375 WeakPolarHBondContact O-CA 3.44Å; A341-S375 WeakPolarHBondContact O-CB 3.13Å; A341-V376 HydrophobicContact CB-CG2 3.97Å; A341-V376 PolarHBondContact N-O 3.22Å; A341-V376 PolarHBondContact O-N 3.21Å; A341-L378 HydrophobicContact CB-CD1 3.82Å; A341-L378 HydrophobicContact CB-CD2 4.34Å; A341-L378 HydrophobicContact CB-CG 4.3Å; A341-L389 HydrophobicContact CB-CB 4.38Å; A341-L389 HydrophobicContact CB-CD1 4.41Å; A341-L389 HydrophobicContact CB-CD2 4.24Å; A341-Q423 WeakPolarHBondContact CA-O 3.31Å; A341-Y425 HydrophobicContact CB-CD2 4.38Å; A341-Y425 HydrophobicContact CB-CE2 3.97Å
342	T	95.7	Very high	85.5	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	145.9	179.7	-172.5	0	0	0	0	110.4	F373 P374 Y422 Q423 V424 Y425 V461	T342-F373 WeakPolarHBondContact OG1-CB 3.34Å; T342-P374 WeakPolarHBondContact CA-O 3.48Å; T342-P374 PolarHBondContact OG1-O 3.05Å; T342-Y422 HydrophobicContact CG2-CD1 3.9Å; T342-Y422 HydrophobicContact CG2-CG 4.37Å; T342-Q423 PolarHBondContact N-O 3.24Å; T342-V424 HydrophobicContact CG2-CG2 4.19Å; T342-Y425 PolarHBondContact O-N 2.78Å; T342-V461 HydrophobicContact CG2-CG1 3.98Å; T342-V461 HydrophobicContact CG2-CG2 4.12Å
343	C	95.3	Very high	85.6	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	125.1	-175.8	-178	0	0	0	0	112.7	V345 P374 L389 L393 L405 Y425	C343-V345 PolarHBondContact O-N 3.29Å; C343-P374 PolarHBondContact N-O 3.07Å; C343-L389 HydrophobicContact CB-CD1 4.04Å; C343-L389 HydrophobicContact CB-CD2 4.17Å; C343-L389 HydrophobicContact CB-CG 4.42Å; C343-L393 HydrophobicContact CB-CD1 3.93Å; C343-L393 HydrophobicContact CB-CD2 3.98Å; C343-L393 HydrophobicContact CB-CG 4.45Å; C343-L405 HydrophobicContact CB-CD2 4.4Å; C343-Y425 VanDerWaalsContact CA-O 3.32Å; C343-Y425 WeakPolarHBondContact CA-O 3.25Å
344	V	95.5	Very high	85.7	Confident	0 Å²	0	51 Å²	51	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	101.6	167.2	-173.4	0	0	0	0	108.5	V356 F373 Y425 S426 L427 V461 Y465	V344-V356 HydrophobicContact CG1-CG1 3.98Å; V344-F373 HydrophobicContact CB-CD1 4.39Å; V344-F373 HydrophobicContact CB-CE1 4.42Å; V344-F373 HydrophobicContact CG1-CD1 4.3Å; V344-F373 HydrophobicContact CG1-CE1 3.92Å; V344-F373 HydrophobicContact CG1-CZ 4.39Å; V344-F373 HydrophobicContact CG2-CD1 4.09Å; V344-F373 HydrophobicContact CG2-CD2 4.09Å; V344-F373 HydrophobicContact CG2-CE1 4.09Å; V344-F373 HydrophobicContact CG2-CE2 4.08Å; V344-F373 HydrophobicContact CG2-CG 4.11Å; V344-F373 HydrophobicContact CG2-CZ 4.1Å; V344-Y425 PolarHBondContact N-O 3.45Å; V344-S426 WeakPolarHBondContact O-CA 3.49Å; V344-L427 PolarHBondContact O-N 3.12Å; V344-V461 HydrophobicContact CG2-CG1 3.98Å; V344-Y465 HydrophobicContact CB-CD1 4.29Å; V344-Y465 HydrophobicContact CB-CD2 3.97Å; V344-Y465 HydrophobicContact CB-CE2 4.29Å; V344-Y465 HydrophobicContact CB-CG 3.95Å; V344-Y465 HydrophobicContact CG1-CD1 3.6Å; V344-Y465 HydrophobicContact CG1-CD2 4.09Å; V344-Y465 HydrophobicContact CG1-CE1 3.67Å; V344-Y465 HydrophobicContact CG1-CE2 4.17Å; V344-Y465 HydrophobicContact CG1-CG 3.79Å; V344-Y465 HydrophobicContact CG2-CD2 4.46Å; V344-Y465 HydrophobicContact CG2-CG 4.12Å
345	V	93	Very high	85.9	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	124.7	171.5	-167.8	0	0	0	0	108.8	C343 V356 L357 L393 L427 L429 W443	C343-V345 PolarHBondContact O-N 3.29Å; V345-V356 VanDerWaalsContact O-CA 3.29Å; V345-V356 WeakPolarHBondContact O-CA 3.27Å; V345-L357 HydrophobicContact CB-CB 4.01Å; V345-L357 HydrophobicContact CB-CD2 4.46Å; V345-L357 HydrophobicContact CG2-CD2 4.35Å; V345-L357 PolarHBondContact O-N 3.06Å; V345-L393 HydrophobicContact CG2-CD2 3.43Å; V345-L393 VanDerWaalsContact CG2-CD2 3.43Å; V345-L427 WeakPolarHBondContact CA-O 3.42Å; V345-L427 HydrophobicContact CG1-CB 4.46Å; V345-L427 HydrophobicContact CG1-CD2 4.3Å; V345-L427 HydrophobicContact CG1-CG 4.41Å; V345-L427 HydrophobicContact CG2-CB 4.49Å; V345-L429 HydrophobicContact CG1-CD1 3.99Å; V345-L429 HydrophobicContact CG1-CD2 4.24Å; V345-L429 HydrophobicContact CG1-CG 3.95Å; V345-W443 HydrophobicContact CB-CH2 4.46Å; V345-W443 HydrophobicContact CG1-CH2 3.9Å; V345-W443 HydrophobicContact CG1-CZ3 4.4Å
346	E	91.3	Very high	86.1	Confident	17 Å²	17	44.4 Å²	44.4	8%	0.079	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	140.6	175.7	-172.8	-171.3	84.2	0	0	110.9	P354 L355 L427 L429 Y465 R469	E346-P354 HydrophobicContact CG-CB 3.67Å; E346-P354 VanDerWaalsContact OE2-CB 3.22Å; E346-P354 WeakPolarHBondContact OE2-CB 3.19Å; E346-L355 WeakPolarHBondContact CA-O 3.33Å; E346-L427 PolarHBondContact N-O 3.34Å; E346-L429 PolarHBondContact O-N 3.07Å; E346-Y465 WeakPolarHBondContact CB-OH 3.33Å; E346-Y465 PolarHBondContact OE2-OH 3.39Å; E346-Y465 VanDerWaalsContact OE2-OH 3.12Å; E346-R469 IonicContact OE1-CZ 3.42Å; E346-R469 IonicContact OE1-NH1 3.02Å; E346-R469 PolarHBondContact OE1-NH1 2.88Å; E346-R469 IonicContact OE1-NH2 2.7Å; E346-R469 PolarHBondContact OE1-NH2 3.3Å; E346-R469 IonicContact OE2-CZ 3.16Å; E346-R469 IonicContact OE2-NE 2.94Å; E346-R469 PolarHBondContact OE2-NE 3.46Å; E346-R469 IonicContact OE2-NH1 2.95Å; E346-R469 PolarHBondContact OE2-NH1 3.02Å; E346-R469 VanDerWaalsContact OE2-NH1 3.16Å; E346-R469 IonicContact OE2-NH2 3.23Å; E346-R469 PolarHBondContact OE2-NH2 2.99Å
347	Q	86.8	Confident	86.2	Confident	11 Å²	11	37.6 Å²	37.6	5%	0.051	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	156.8	166.5	66.7	177	-6.9	0	0	111	G349 L355 L429 A432 W443	Q347-G349 PolarHBondContact O-N 2.95Å; Q347-L355 HydrophobicContact CG-CB 3.74Å; Q347-L355 HydrophobicContact CG-CD1 4.45Å; Q347-L355 PolarHBondContact N-O 2.69Å; Q347-L355 VanDerWaalsContact NE2-CD1 3.32Å; Q347-L355 PolarHBondContact O-N 3.39Å; Q347-L429 HydrophobicContact CB-CB 4.43Å; Q347-L429 HydrophobicContact CB-CD1 4.43Å; Q347-A432 VanDerWaalsContact OE1-CB 3.28Å; Q347-W443 HydrophobicContact CB-CH2 4.26Å; Q347-W443 HydrophobicContact CB-CZ3 4.05Å; Q347-W443 HydrophobicContact CG-CD2 4.24Å; Q347-W443 HydrophobicContact CG-CE3 3.7Å; Q347-W443 HydrophobicContact CG-CH2 4.22Å; Q347-W443 HydrophobicContact CG-CZ3 3.68Å; Q347-W443 VanDerWaalsContact NE2-CG 3.27Å
348	P	81.2	Confident	86.3	Confident	71 Å²	71	32.5 Å²	32.5	46%	0.461	22%	0.215	S	C	.	.			trans	-60.3	123.1	163.8	-18.6	31.8	0	0	0	109.8	L429	P348-L429 WeakPolarHBondContact CD-O 3.25Å
349	G	72.6	Confident	86.4	Confident	22 Å²	22	30.7 Å²	30.7	23%	0.227	21%	0.206	C	C	.	.			trans	-87.7	144.6	169.9	0	0	0	0	0	111.3	Q347 G353	Q347-G349 PolarHBondContact O-N 2.95Å; G349-G353 VanDerWaalsContact CA-O 3.24Å; G349-G353 WeakPolarHBondContact CA-O 3.5Å; G349-G353 PolarHBondContact N-O 2.67Å
350	A	62.1	Low	86.5	Confident	108 Å²	108	30.8 Å²	30.8	89%	0.893	21%	0.209	S	C	*	.	S	Bend	trans	-71.3	-36.4	-177.6	0	0	0	0	0	113.1
351	I	63.7	Low	86.5	Confident	161 Å²	161	32.9 Å²	32.9	83%	0.826	22%	0.217	S	C	*	.	S	Bend	trans	-147.5	130.5	178.9	-54.2	178.7	0	0	0	106.6
352	G	63.9	Low	86.3	Confident	63 Å²	63	37.2 Å²	37.2	65%	0.649	25%	0.245	S	C	*	.	S	Bend	trans	101.5	2.7	178.2	0	0	0	0	0	116.7
353	G	77.7	Confident	85.9	Confident	36 Å²	36	42.2 Å²	42.2	37%	0.371	27%	0.272	S	S	.	.	S	Bend	trans	95.5	-169	177	0	0	0	0	0	114	G349	G349-G353 VanDerWaalsContact CA-O 3.24Å; G349-G353 WeakPolarHBondContact CA-O 3.5Å; G349-G353 PolarHBondContact N-O 2.67Å
354	P	85.7	Confident	85.4	Confident	40 Å²	40	46.6 Å²	46.6	26%	0.26	30%	0.302	S	S	.	.			trans	-61.9	141	-179.2	23.6	-32.9	0	0	0	112.5	E346 W446	E346-P354 HydrophobicContact CG-CB 3.67Å; E346-P354 VanDerWaalsContact OE2-CB 3.22Å; E346-P354 WeakPolarHBondContact OE2-CB 3.19Å; P354-W446 HydrophobicContact CG-CD2 4.34Å; P354-W446 HydrophobicContact CG-CZ2 3.88Å
355	L	91.1	Very high	85	Confident	34 Å²	34	49.8 Å²	49.8	18%	0.178	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	136.5	175.6	-61	171.4	0	0	0	109.9	E346 Q347 W443 L444 T445	E346-L355 WeakPolarHBondContact CA-O 3.33Å; Q347-L355 HydrophobicContact CG-CB 3.74Å; Q347-L355 HydrophobicContact CG-CD1 4.45Å; Q347-L355 PolarHBondContact N-O 2.69Å; Q347-L355 VanDerWaalsContact NE2-CD1 3.32Å; Q347-L355 PolarHBondContact O-N 3.39Å; L355-W443 HydrophobicContact CB-CB 4.29Å; L355-W443 HydrophobicContact CB-CE3 4.24Å; L355-W443 HydrophobicContact CD1-CB 4.44Å; L355-L444 CarbonylContact C-O 3.57Å; L355-L444 VanDerWaalsContact CA-O 3.29Å; L355-L444 WeakPolarHBondContact CA-O 3.24Å; L355-T445 HydrophobicContact CD2-CG2 3.58Å
356	V	93.8	Very high	84.7	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	143.1	175.5	-65	0	0	0	0	111.9	V344 V345 F373 W443 L444 F449 F462	V344-V356 HydrophobicContact CG1-CG1 3.98Å; V345-V356 VanDerWaalsContact O-CA 3.29Å; V345-V356 WeakPolarHBondContact O-CA 3.27Å; V356-F373 HydrophobicContact CB-CE1 4.23Å; V356-F373 HydrophobicContact CG2-CE1 4.22Å; V356-W443 WeakPolarHBondContact O-CA 3.21Å; V356-L444 PolarHBondContact N-O 3.29Å; V356-L444 PolarHBondContact O-N 3.48Å; V356-F449 HydrophobicContact CG2-CB 4.4Å; V356-F462 HydrophobicContact CG1-CE2 4.15Å
357	L	94.3	Very high	84.6	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	125.1	177.5	-177.5	61.9	0	0	0	110.9	V345 F373 P374 W396 C397 A441 W443	V345-L357 HydrophobicContact CB-CB 4.01Å; V345-L357 HydrophobicContact CB-CD2 4.46Å; V345-L357 HydrophobicContact CG2-CD2 4.35Å; V345-L357 PolarHBondContact O-N 3.06Å; L357-F373 WeakPolarHBondContact O-CD1 3Å; L357-P374 HydrophobicContact CD2-CG 3.82Å; L357-P374 HydrophobicContact CG-CG 4.14Å; L357-W396 HydrophobicContact CD2-CB 3.87Å; L357-C397 VanDerWaalsContact CD2-SG 3.52Å; L357-A441 HydrophobicContact CD1-CB 4.12Å; L357-W443 HydrophobicContact CB-CD2 4.37Å; L357-W443 HydrophobicContact CB-CE3 3.92Å; L357-W443 HydrophobicContact CB-CH2 3.84Å; L357-W443 HydrophobicContact CB-CZ2 4.26Å; L357-W443 HydrophobicContact CB-CZ3 3.66Å; L357-W443 HydrophobicContact CD1-CD2 4.22Å; L357-W443 HydrophobicContact CD1-CZ2 4.21Å; L357-W443 HydrophobicContact CD2-CZ2 4.49Å
358	L	95.8	Very high	84.7	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	150.4	162.8	-60.5	-175.3	0	0	0	111.1	W371 E372 F373 A441 R442 L444 F449 V454	L358-W371 HydrophobicContact CB-CB 4.3Å; L358-W371 HydrophobicContact CB-CE3 3.97Å; L358-W371 HydrophobicContact CD1-CB 3.8Å; L358-E372 CarbonylContact C-O 3.51Å; L358-E372 VanDerWaalsContact CA-O 3.27Å; L358-E372 WeakPolarHBondContact CA-O 3.35Å; L358-F373 HydrophobicContact CD2-CD1 3.61Å; L358-F373 HydrophobicContact CD2-CE1 3.58Å; L358-F373 HydrophobicContact CD2-CG 4.16Å; L358-F373 HydrophobicContact CD2-CZ 4.12Å; L358-A441 CarbonylContact O-C 3.53Å; L358-A441 VanDerWaalsContact O-CA 3.3Å; L358-A441 WeakPolarHBondContact O-CA 3.41Å; L358-R442 PolarHBondContact N-O 2.98Å; L358-R442 PolarHBondContact O-N 3.48Å; L358-L444 HydrophobicContact CD1-CD1 3.57Å; L358-L444 HydrophobicContact CD1-CG 4.37Å; L358-L444 HydrophobicContact CG-CD1 4.39Å; L358-F449 HydrophobicContact CD1-CD2 3.96Å; L358-F449 HydrophobicContact CD1-CE2 4.5Å; L358-F449 HydrophobicContact CD2-CD2 3.98Å; L358-F449 HydrophobicContact CD2-CE2 4.06Å; L358-F449 HydrophobicContact CG-CD2 4.39Å; L358-V454 HydrophobicContact CD1-CG1 3.79Å
359	V	95.3	Very high	85	Confident	5 Å²	5	49.6 Å²	49.6	3%	0.03	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	148.9	173.1	-58.5	0	0	0	0	109.3	W371 E372 P374 W396 G440 A441	V359-W371 WeakPolarHBondContact O-CA 3.27Å; V359-E372 HydrophobicContact CG2-CG 4.06Å; V359-E372 PolarHBondContact N-O 3.45Å; V359-E372 PolarHBondContact O-N 3.19Å; V359-P374 HydrophobicContact CG1-CG 3.96Å; V359-W396 HydrophobicContact CB-CD2 4.45Å; V359-W396 HydrophobicContact CB-CH2 4.32Å; V359-W396 HydrophobicContact CB-CZ2 3.94Å; V359-W396 HydrophobicContact CG1-CD2 3.49Å; V359-W396 VanDerWaalsContact CG1-CD2 3.49Å; V359-W396 VanDerWaalsContact CG1-CE2 3.45Å; V359-W396 HydrophobicContact CG1-CE3 3.98Å; V359-W396 HydrophobicContact CG1-CG 3.76Å; V359-W396 HydrophobicContact CG1-CH2 4.32Å; V359-W396 HydrophobicContact CG1-CZ2 3.88Å; V359-W396 HydrophobicContact CG1-CZ3 4.37Å; V359-G440 CarbonylContact C-O 3.54Å; V359-G440 WeakPolarHBondContact CA-O 3.33Å; V359-A441 HydrophobicContact CG1-CB 4.13Å
360	Q	94	Very high	86	Confident	74 Å²	74	48.6 Å²	48.6	35%	0.346	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	129.7	-179.9	-163.9	174.2	20.2	0	0	110.2	G369 W371 G440	Q360-G369 PolarHBondContact NE2-O 2.96Å; Q360-G369 VanDerWaalsContact NE2-O 3.16Å; Q360-W371 HydrophobicContact CB-CD2 4.31Å; Q360-W371 HydrophobicContact CB-CE3 3.98Å; Q360-W371 HydrophobicContact CB-CH2 4.06Å; Q360-W371 HydrophobicContact CB-CZ2 4.37Å; Q360-W371 HydrophobicContact CB-CZ3 3.84Å; Q360-G440 PolarHBondContact N-O 3.25Å
361	R	93.3	Very high	87.5	Confident	48 Å²	48	44.3 Å²	44.3	18%	0.181	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-67.4	148.8	173.7	-66.2	-173.9	65.4	78.6	4.4	110.6	L366 L367 G369 L370 E372	R361-L366 VanDerWaalsContact CZ-O 3.31Å; R361-L366 PolarHBondContact NE-O 2.88Å; R361-L366 PolarHBondContact NH2-O 3.44Å; R361-L367 WeakPolarHBondContact CD-O 3.43Å; R361-G369 WeakPolarHBondContact O-CA 3.4Å; R361-G369 PolarHBondContact O-N 3.17Å; R361-L370 WeakPolarHBondContact CB-O 3.31Å; R361-L370 WeakPolarHBondContact CG-O 3.22Å; R361-L370 PolarHBondContact N-O 3.13Å; R361-E372 VanDerWaalsContact CD-OE2 3.27Å; R361-E372 WeakPolarHBondContact CD-OE2 3.48Å; R361-E372 HydrophobicContact CG-CG 3.74Å; R361-E372 WeakPolarHBondContact CG-OE1 3.35Å; R361-E372 IonicContact CZ-OE1 3.55Å; R361-E372 IonicContact CZ-OE2 3.32Å; R361-E372 IonicContact NE-OE2 2.83Å; R361-E372 IonicContact NH1-OE1 2.83Å; R361-E372 PolarHBondContact NH1-OE1 3.01Å; R361-E372 IonicContact NH1-OE2 3.88Å; R361-E372 PolarHBondContact NH1-OE2 2.9Å
362	P	90.7	Very high	89.1	Confident	91 Å²	91	37.3 Å²	37.3	59%	0.591	25%	0.249	S	C	*	.	P	Polyproline II helix	trans	-51.8	154	177	-26.8	34.5	0	0	0	113.6	S364 A368 G369	P362-S364 PolarHBondContact O-N 2.99Å; P362-A368 CarbonylContact O-C 3.52Å; P362-A368 WeakPolarHBondContact O-CA 3.18Å; P362-A368 WeakPolarHBondContact O-CB 3.25Å; P362-G369 PolarHBondContact O-N 3.14Å
363	D	86.1	Confident	90.6	Very high	105 Å²	105	34.3 Å²	34.3	56%	0.561	22%	0.218	S	C	*	.	S	Bend	trans	-69.7	12.7	178.6	-64.9	-46.2	0	0	0	114.6	R155	R155-D363 PolarHBondContact NH1-O 3.46Å
364	S	85.4	Confident	91.5	Very high	92 Å²	92	32.6 Å²	32.6	64%	0.643	20%	0.2	S	C	*	.	S	Bend	trans	-149.3	161.9	174.6	64.6	0	0	0	0	111.9	P362	P362-S364 PolarHBondContact O-N 2.99Å
365	G	87	Confident	91.9	Very high	67 Å²	67	31.7 Å²	31.7	69%	0.691	20%	0.195	S	C	*	.	S	Bend	trans	85.8	-156.4	-178.4	0	0	0	0	0	114.2	L367	G365-L367 PolarHBondContact O-N 3.49Å
366	L	87.9	Confident	92	Very high	49 Å²	49	31 Å²	31	26%	0.257	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	127.4	-176.3	-178.8	64.4	0	0	0	110.6	R361 A368 F415 I418	R361-L366 VanDerWaalsContact CZ-O 3.31Å; R361-L366 PolarHBondContact NE-O 2.88Å; R361-L366 PolarHBondContact NH2-O 3.44Å; L366-A368 PolarHBondContact O-N 3.28Å; L366-F415 HydrophobicContact CD1-CD1 4.22Å; L366-F415 HydrophobicContact CD1-CE1 4.02Å; L366-F415 HydrophobicContact CD1-CZ 4.21Å; L366-F415 HydrophobicContact CD2-CE2 4.13Å; L366-F415 HydrophobicContact CD2-CZ 4.18Å; L366-F415 HydrophobicContact CG-CZ 4.49Å; L366-I418 HydrophobicContact CD1-CD1 4.34Å; L366-I418 HydrophobicContact CD2-CD1 3.87Å
367	L	88.7	Confident	91.9	Very high	21 Å²	21	36.6 Å²	36.6	11%	0.11	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	37.3	178.6	-60.7	172.9	0	0	0	113.6	Y151 R361 G365 G369 L370 F415	Y151-L367 HydrophobicContact CD2-CD2 3.85Å; Y151-L367 HydrophobicContact CE2-CD2 3.95Å; R361-L367 WeakPolarHBondContact CD-O 3.43Å; G365-L367 PolarHBondContact O-N 3.49Å; L367-G369 PolarHBondContact O-N 3.38Å; L367-L370 HydrophobicContact CB-CD1 4.03Å; L367-L370 HydrophobicContact CB-CG 4.44Å; L367-L370 HydrophobicContact CD2-CD1 3.85Å; L367-L370 HydrophobicContact CG-CD1 4.44Å; L367-L370 WeakPolarHBondContact O-CB 3.26Å; L367-L370 PolarHBondContact O-N 2.98Å; L367-F415 HydrophobicContact CD1-CE1 4.15Å; L367-F415 HydrophobicContact CD1-CZ 3.96Å; L367-F415 HydrophobicContact CD2-CE1 4.28Å; L367-F415 HydrophobicContact CG-CE1 4.28Å; L367-F415 HydrophobicContact CG-CZ 4.48Å
368	A	87.7	Confident	91.4	Very high	24 Å²	24	37.4 Å²	37.4	20%	0.198	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	134.2	-176	0	0	0	0	0	114.1	P362 L366 L370	P362-A368 CarbonylContact O-C 3.52Å; P362-A368 WeakPolarHBondContact O-CA 3.18Å; P362-A368 WeakPolarHBondContact O-CB 3.25Å; L366-A368 PolarHBondContact O-N 3.28Å; A368-L370 PolarHBondContact O-N 3.31Å
369	G	89	Confident	90.3	Very high	2 Å²	2	44.6 Å²	44.6	2%	0.021	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.2	0.8	177.5	0	0	0	0	0	116.4	Q360 R361 P362 L367	Q360-G369 PolarHBondContact NE2-O 2.96Å; Q360-G369 VanDerWaalsContact NE2-O 3.16Å; R361-G369 WeakPolarHBondContact O-CA 3.4Å; R361-G369 PolarHBondContact O-N 3.17Å; P362-G369 PolarHBondContact O-N 3.14Å; L367-G369 PolarHBondContact O-N 3.38Å
370	L	92.3	Very high	88.8	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.005	29%	0.291	C	S	.	.			trans	-78.1	159.3	173.6	-62.4	-167.4	0	0	0	112.1	N142 Y151 R361 L367 A368 A453	N142-L370 HydrophobicContact CB-CD2 3.82Å; Y151-L370 HydrophobicContact CD1-CD1 4.09Å; Y151-L370 HydrophobicContact CD1-CD2 3.69Å; Y151-L370 HydrophobicContact CD1-CG 4.37Å; Y151-L370 HydrophobicContact CD2-CD1 3.77Å; Y151-L370 HydrophobicContact CE1-CD1 3.89Å; Y151-L370 HydrophobicContact CE1-CD2 3.78Å; Y151-L370 HydrophobicContact CE1-CG 4.47Å; Y151-L370 HydrophobicContact CE2-CD1 3.58Å; Y151-L370 HydrophobicContact CG-CD1 4.01Å; Y151-L370 HydrophobicContact CG-CD2 4.19Å; Y151-L370 HydrophobicContact CG-CG 4.42Å; R361-L370 WeakPolarHBondContact CB-O 3.31Å; R361-L370 WeakPolarHBondContact CG-O 3.22Å; R361-L370 PolarHBondContact N-O 3.13Å; L367-L370 HydrophobicContact CB-CD1 4.03Å; L367-L370 HydrophobicContact CB-CG 4.44Å; L367-L370 HydrophobicContact CD2-CD1 3.85Å; L367-L370 HydrophobicContact CG-CD1 4.44Å; L367-L370 WeakPolarHBondContact O-CB 3.26Å; L367-L370 PolarHBondContact O-N 2.98Å; A368-L370 PolarHBondContact O-N 3.31Å; L370-A453 WeakPolarHBondContact CB-O 3.38Å; L370-A453 HydrophobicContact CD2-CB 4.19Å
371	W	94.5	Very high	87.3	Confident	18 Å²	18	48.8 Å²	48.8	7%	0.068	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	143.1	171	-63.9	93.8	0	0	0	111.3	E139 L358 V359 Q360 R442 A453 V454	E139-W371 PolarHBondContact OE1-NE1 3.06Å; L358-W371 HydrophobicContact CB-CB 4.3Å; L358-W371 HydrophobicContact CB-CE3 3.97Å; L358-W371 HydrophobicContact CD1-CB 3.8Å; V359-W371 WeakPolarHBondContact O-CA 3.27Å; Q360-W371 HydrophobicContact CB-CD2 4.31Å; Q360-W371 HydrophobicContact CB-CE3 3.98Å; Q360-W371 HydrophobicContact CB-CH2 4.06Å; Q360-W371 HydrophobicContact CB-CZ2 4.37Å; Q360-W371 HydrophobicContact CB-CZ3 3.84Å; W371-R442 VanDerWaalsContact CD1-NH2 3.3Å; W371-R442 HydrophobicContact CE3-CG 3.98Å; W371-R442 HydrophobicContact CH2-CB 4.32Å; W371-R442 HydrophobicContact CH2-CG 3.84Å; W371-R442 HydrophobicContact CZ2-CG 4.37Å; W371-R442 HydrophobicContact CZ3-CB 4.28Å; W371-R442 HydrophobicContact CZ3-CG 3.62Å; W371-R442 VanDerWaalsContact NE1-CZ 3.3Å; W371-R442 VanDerWaalsContact NE1-NH2 3.13Å; W371-A453 PolarHBondContact N-O 2.86Å; W371-V454 HydrophobicContact CB-CG1 3.94Å; W371-V454 WeakPolarHBondContact O-CA 3.38Å; W371-V454 WeakPolarHBondContact O-CG1 3.32Å
372	E	96.1	Very high	85.8	Confident	14 Å²	14	53.9 Å²	53.9	7%	0.065	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	166.1	175.3	65.2	178	-177	0	0	112.4	L358 V359 R361 S375 M458	L358-E372 CarbonylContact C-O 3.51Å; L358-E372 VanDerWaalsContact CA-O 3.27Å; L358-E372 WeakPolarHBondContact CA-O 3.35Å; V359-E372 HydrophobicContact CG2-CG 4.06Å; V359-E372 PolarHBondContact N-O 3.45Å; V359-E372 PolarHBondContact O-N 3.19Å; R361-E372 VanDerWaalsContact CD-OE2 3.27Å; R361-E372 WeakPolarHBondContact CD-OE2 3.48Å; R361-E372 HydrophobicContact CG-CG 3.74Å; R361-E372 WeakPolarHBondContact CG-OE1 3.35Å; R361-E372 IonicContact CZ-OE1 3.55Å; R361-E372 IonicContact CZ-OE2 3.32Å; R361-E372 IonicContact NE-OE2 2.83Å; R361-E372 IonicContact NH1-OE1 2.83Å; R361-E372 PolarHBondContact NH1-OE1 3.01Å; R361-E372 IonicContact NH1-OE2 3.88Å; R361-E372 PolarHBondContact NH1-OE2 2.9Å; E372-S375 PolarHBondContact OE1-OG 3.08Å; E372-M458 HydrophobicContact CB-CE 3.81Å; E372-M458 HydrophobicContact CB-CG 3.79Å; E372-M458 HydrophobicContact CB-SD 3.74Å
373	F	96.9	Very high	84.4	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	34%	0.338	C	S	.	.			trans	-69	145.4	166.3	-63.5	-65.3	0	0	0	109.6	T342 V344 V356 L357 L358 S375 F449 M458 V461 F462	T342-F373 WeakPolarHBondContact OG1-CB 3.34Å; V344-F373 HydrophobicContact CB-CD1 4.39Å; V344-F373 HydrophobicContact CB-CE1 4.42Å; V344-F373 HydrophobicContact CG1-CD1 4.3Å; V344-F373 HydrophobicContact CG1-CE1 3.92Å; V344-F373 HydrophobicContact CG1-CZ 4.39Å; V344-F373 HydrophobicContact CG2-CD1 4.09Å; V344-F373 HydrophobicContact CG2-CD2 4.09Å; V344-F373 HydrophobicContact CG2-CE1 4.09Å; V344-F373 HydrophobicContact CG2-CE2 4.08Å; V344-F373 HydrophobicContact CG2-CG 4.11Å; V344-F373 HydrophobicContact CG2-CZ 4.1Å; V356-F373 HydrophobicContact CB-CE1 4.23Å; V356-F373 HydrophobicContact CG2-CE1 4.22Å; L357-F373 WeakPolarHBondContact O-CD1 3Å; L358-F373 HydrophobicContact CD2-CD1 3.61Å; L358-F373 HydrophobicContact CD2-CE1 3.58Å; L358-F373 HydrophobicContact CD2-CG 4.16Å; L358-F373 HydrophobicContact CD2-CZ 4.12Å; F373-S375 PolarHBondContact O-N 3.09Å; F373-F449 HydrophobicContact CE1-CD2 4.4Å; F373-F449 HydrophobicContact CE1-CE2 4.16Å; F373-F449 AromaticContact CE2-CE2 3.68Å; F373-F449 HydrophobicContact CE2-CE2 3.68Å; F373-F449 AromaticContact CE2-CZ 3.95Å; F373-F449 HydrophobicContact CE2-CZ 3.95Å; F373-F449 AromaticContact CZ-CD2 3.87Å; F373-F449 HydrophobicContact CZ-CD2 3.87Å; F373-F449 AromaticContact CZ-CE2 3.32Å; F373-F449 HydrophobicContact CZ-CE2 3.32Å; F373-F449 AromaticContact CZ-CZ 3.84Å; F373-F449 HydrophobicContact CZ-CZ 3.84Å; F373-M458 HydrophobicContact CB-SD 4.29Å; F373-M458 HydrophobicContact CD2-SD 3.74Å; F373-M458 HydrophobicContact CE2-CB 4.49Å; F373-M458 HydrophobicContact CG-SD 4.44Å; F373-V461 HydrophobicContact CD2-CB 4.27Å; F373-V461 HydrophobicContact CD2-CG1 3.73Å; F373-V461 HydrophobicContact CE2-CB 4.39Å; F373-V461 HydrophobicContact CE2-CG1 4.08Å; F373-F462 HydrophobicContact CE1-CD2 4.44Å; F373-F462 HydrophobicContact CE2-CB 3.9Å; F373-F462 HydrophobicContact CE2-CD2 4.44Å; F373-F462 HydrophobicContact CZ-CB 3.9Å; F373-F462 AromaticContact CZ-CD2 3.64Å; F373-F462 HydrophobicContact CZ-CD2 3.64Å; F373-F462 HydrophobicContact CZ-CG 4.14Å
374	P	95.5	Very high	83.6	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	34%	0.337	C	S	.	.			trans	-45.5	127.7	175.1	-27.1	31.7	0	0	0	111.5	T342 C343 L357 V359 L393	T342-P374 WeakPolarHBondContact CA-O 3.48Å; T342-P374 PolarHBondContact OG1-O 3.05Å; C343-P374 PolarHBondContact N-O 3.07Å; L357-P374 HydrophobicContact CD2-CG 3.82Å; L357-P374 HydrophobicContact CG-CG 4.14Å; V359-P374 HydrophobicContact CG1-CG 3.96Å; P374-L393 HydrophobicContact CB-CD2 3.65Å; P374-L393 HydrophobicContact CG-CD2 3.98Å
375	S	94.6	Very high	83.2	Confident	20 Å²	20	55.5 Å²	55.5	14%	0.14	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	151.7	-174.2	77	0	0	0	0	112.8	A341 E372 F373	A341-S375 CarbonylContact O-C 3.25Å; A341-S375 WeakPolarHBondContact O-CA 3.44Å; A341-S375 WeakPolarHBondContact O-CB 3.13Å; E372-S375 PolarHBondContact OE1-OG 3.08Å; F373-S375 PolarHBondContact O-N 3.09Å
376	V	93.1	Very high	82.9	Confident	21 Å²	21	56.1 Å²	56.1	13%	0.127	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	134.9	171.6	-69.2	0	0	0	0	109.2	S340 A341 L378 A388 L389 E392	S340-V376 CarbonylContact C-O 3.42Å; S340-V376 WeakPolarHBondContact CA-O 3.46Å; S340-V376 WeakPolarHBondContact CB-O 3.21Å; S340-V376 PolarHBondContact OG-O 2.83Å; A341-V376 HydrophobicContact CB-CG2 3.97Å; A341-V376 PolarHBondContact N-O 3.22Å; A341-V376 PolarHBondContact O-N 3.21Å; V376-L378 HydrophobicContact CG2-CD2 3.9Å; V376-A388 HydrophobicContact CG2-CB 4.24Å; V376-L389 HydrophobicContact CG2-CB 4.16Å; V376-L389 HydrophobicContact CG2-CD1 4.45Å; V376-E392 HydrophobicContact CG1-CB 3.46Å; V376-E392 VanDerWaalsContact CG1-CB 3.46Å; V376-E392 HydrophobicContact CG1-CG 3.78Å
377	T	90.9	Very high	82.7	Confident	116 Å²	116	60.2 Å²	60.2	71%	0.712	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.4	140	167.4	-57	0	0	0	0	108.8
378	L	83.5	Confident	82.6	Confident	17 Å²	17	60.8 Å²	60.8	9%	0.089	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	140.8	-175.5	-59.5	175.7	0	0	0	110.9	Y339 A341 V376 Q385	Y339-L378 PolarHBondContact O-N 3.19Å; A341-L378 HydrophobicContact CB-CD1 3.82Å; A341-L378 HydrophobicContact CB-CD2 4.34Å; A341-L378 HydrophobicContact CB-CG 4.3Å; V376-L378 HydrophobicContact CG2-CD2 3.9Å; L378-Q385 HydrophobicContact CD1-CB 4.09Å; L378-Q385 VanDerWaalsContact CD1-CD 3.44Å; L378-Q385 HydrophobicContact CD1-CG 3.53Å; L378-Q385 HydrophobicContact CD2-CB 4.02Å; L378-Q385 HydrophobicContact CD2-CG 3.82Å; L378-Q385 HydrophobicContact CG-CG 4.18Å
379	E	73.4	Confident	82.7	Confident	151 Å²	151	59.7 Å²	59.7	71%	0.706	31%	0.31	S	S	*	.			trans	-72.5	155.9	155.7	-67.2	-58.8	149.9	0	0	109.6	S381	E379-S381 PolarHBondContact O-N 3.47Å
380	P	63.7	Low	82.7	Confident	92 Å²	92	60.7 Å²	60.7	60%	0.597	32%	0.315	S	S	*	.	S	Bend	trans	-60.5	-8	-175.6	-26.9	35.9	0	0	0	116.8	Y339	Y339-P380 HydrophobicContact CD2-CG 4.33Å; Y339-P380 HydrophobicContact CE2-CG 4.27Å
381	S	64	Low	82.5	Confident	76 Å²	76	66.1 Å²	66.1	53%	0.531	34%	0.341	S	S	.	.			trans	-86.7	119.3	-179.7	61.3	0	0	0	0	112.7	E379 Q383	E379-S381 PolarHBondContact O-N 3.47Å; S381-Q383 VanDerWaalsContact C-N 3.33Å; S381-Q383 PolarHBondContact O-N 3.29Å
382	E	61	Low	82.3	Confident	155 Å²	155	66.7 Å²	66.7	72%	0.724	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-66.6	-26	-169.3	-62.8	-177	140	0	0	115.6	H384 Q385	E382-H384 PolarHBondContact O-N 3.29Å; E382-Q385 WeakPolarHBondContact O-CG 3.38Å; E382-Q385 PolarHBondContact O-N 2.83Å
383	Q	60.7	Low	82	Confident	181 Å²	181	66 Å²	66	85%	0.846	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-62	-16.6	-163.5	-73	177.6	-20.8	0	0	115.9	S381	S381-Q383 VanDerWaalsContact C-N 3.33Å; S381-Q383 PolarHBondContact O-N 3.29Å
384	H	69.5	Low	81.7	Confident	120 Å²	120	69.6 Å²	69.6	56%	0.556	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-115	-4.4	-176	-65.1	97.1	0	0	0	115	E382 H386 K387 A388	E382-H384 PolarHBondContact O-N 3.29Å; H384-H386 PolarHBondContact O-N 3.23Å; H384-K387 PolarHBondContact O-N 2.98Å; H384-A388 PolarHBondContact O-N 2.98Å
385	Q	76.9	Confident	81.3	Confident	21 Å²	21	77 Å²	77	10%	0.098	39%	0.385	C	S	.	.	H	α-helix	trans	-58.1	-51.4	-171.7	-59.6	-178.1	2.4	0	0	112.6	L378 E382 K387 A388 L389	L378-Q385 HydrophobicContact CD1-CB 4.09Å; L378-Q385 VanDerWaalsContact CD1-CD 3.44Å; L378-Q385 HydrophobicContact CD1-CG 3.53Å; L378-Q385 HydrophobicContact CD2-CB 4.02Å; L378-Q385 HydrophobicContact CD2-CG 3.82Å; L378-Q385 HydrophobicContact CG-CG 4.18Å; E382-Q385 WeakPolarHBondContact O-CG 3.38Å; E382-Q385 PolarHBondContact O-N 2.83Å; Q385-K387 VanDerWaalsContact C-N 3.33Å; Q385-K387 PolarHBondContact O-N 2.84Å; Q385-A388 PolarHBondContact O-N 3.45Å; Q385-L389 WeakPolarHBondContact O-CB 3.24Å; Q385-L389 PolarHBondContact O-N 2.9Å
386	H	80.2	Confident	81	Confident	79 Å²	79	77.8 Å²	77.8	37%	0.366	39%	0.385	S	S	.	.	H	α-helix	trans	-61.3	-38.8	-178.2	-172.8	-93.2	0	0	0	112.7	H384 L390 L405	H384-H386 PolarHBondContact O-N 3.23Å; H386-L390 WeakPolarHBondContact O-CB 3.32Å; H386-L390 PolarHBondContact O-N 3.5Å; H386-L405 VanDerWaalsContact NE2-CB 3.34Å; H386-L405 WeakPolarHBondContact NE2-CB 3.16Å
387	K	83.7	Confident	80.6	Confident	136 Å²	136	77.7 Å²	77.7	59%	0.591	39%	0.385	S	S	*	.	H	α-helix	trans	-70.3	-43.9	179.5	-174.1	-179.6	178.3	-178.8	0	111.6	H384 Q385 L390 Q391	H384-K387 PolarHBondContact O-N 2.98Å; Q385-K387 VanDerWaalsContact C-N 3.33Å; Q385-K387 PolarHBondContact O-N 2.84Å; K387-L390 PolarHBondContact O-N 3.29Å; K387-Q391 VanDerWaalsContact O-CG 3.31Å; K387-Q391 WeakPolarHBondContact O-CG 3.32Å; K387-Q391 PolarHBondContact O-N 3.49Å
388	A	88.1	Confident	80.2	Confident	33 Å²	33	73.5 Å²	73.5	27%	0.273	37%	0.365	S	S	.	.	H	α-helix	trans	-63.4	-44.9	176.9	0	0	0	0	0	111.4	V376 H384 Q385 Q391 E392	V376-A388 HydrophobicContact CG2-CB 4.24Å; H384-A388 PolarHBondContact O-N 2.98Å; Q385-A388 PolarHBondContact O-N 3.45Å; A388-Q391 PolarHBondContact O-N 3.27Å; A388-E392 PolarHBondContact O-N 2.94Å
389	L	89.8	Confident	80	Confident	0 Å²	0	79 Å²	79	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-61.4	-46.6	176.3	-179.4	65.4	0	0	0	111.8	A341 C343 V376 Q385 Q391 E392 L393 L405 Y425	A341-L389 HydrophobicContact CB-CB 4.38Å; A341-L389 HydrophobicContact CB-CD1 4.41Å; A341-L389 HydrophobicContact CB-CD2 4.24Å; C343-L389 HydrophobicContact CB-CD1 4.04Å; C343-L389 HydrophobicContact CB-CD2 4.17Å; C343-L389 HydrophobicContact CB-CG 4.42Å; V376-L389 HydrophobicContact CG2-CB 4.16Å; V376-L389 HydrophobicContact CG2-CD1 4.45Å; Q385-L389 WeakPolarHBondContact O-CB 3.24Å; Q385-L389 PolarHBondContact O-N 2.9Å; L389-Q391 VanDerWaalsContact C-N 3.31Å; L389-Q391 PolarHBondContact O-N 3.27Å; L389-E392 PolarHBondContact O-N 2.8Å; L389-L393 HydrophobicContact CD1-CD1 4.29Å; L389-L393 HydrophobicContact CD1-CG 4.35Å; L389-L393 HydrophobicContact CG-CD1 3.93Å; L389-L393 HydrophobicContact CG-CG 4.41Å; L389-L393 WeakPolarHBondContact O-CB 3.21Å; L389-L393 VanDerWaalsContact O-CG 3.24Å; L389-L393 WeakPolarHBondContact O-CG 3.08Å; L389-L393 PolarHBondContact O-N 3.39Å; L389-L405 HydrophobicContact CD2-CD2 3.9Å; L389-Y425 HydrophobicContact CD2-CD1 4.29Å; L389-Y425 HydrophobicContact CD2-CD2 3.42Å; L389-Y425 VanDerWaalsContact CD2-CD2 3.42Å; L389-Y425 HydrophobicContact CD2-CE2 3.93Å; L389-Y425 HydrophobicContact CD2-CG 3.63Å
390	L	87.7	Confident	80.1	Confident	23 Å²	23	72.6 Å²	72.6	12%	0.12	37%	0.372	C	S	.	.	H	α-helix	trans	-61.3	-38.6	178.1	-177.5	63.1	0	0	0	112.3	H386 K387 L393 Q394 L400 A402 L405	H386-L390 WeakPolarHBondContact O-CB 3.32Å; H386-L390 PolarHBondContact O-N 3.5Å; K387-L390 PolarHBondContact O-N 3.29Å; L390-L393 PolarHBondContact O-N 2.95Å; L390-Q394 HydrophobicContact CD1-CG 4.48Å; L390-Q394 WeakPolarHBondContact O-CB 3.37Å; L390-Q394 VanDerWaalsContact O-CG 3.24Å; L390-Q394 WeakPolarHBondContact O-CG 3.33Å; L390-Q394 PolarHBondContact O-N 2.76Å; L390-L400 HydrophobicContact CD1-CB 4.22Å; L390-A402 HydrophobicContact CD2-CB 3.76Å; L390-L405 HydrophobicContact CB-CD1 4.12Å; L390-L405 HydrophobicContact CD1-CD1 4.06Å
391	Q	88.4	Confident	80.3	Confident	116 Å²	116	72 Å²	72	54%	0.542	37%	0.368	S	S	.	.	H	α-helix	trans	-64.9	-42.9	175.5	-74.8	175.9	-19.3	0	0	112.4	K387 A388 L389 Q394 R395	K387-Q391 VanDerWaalsContact O-CG 3.31Å; K387-Q391 WeakPolarHBondContact O-CG 3.32Å; K387-Q391 PolarHBondContact O-N 3.49Å; A388-Q391 PolarHBondContact O-N 3.27Å; L389-Q391 VanDerWaalsContact C-N 3.31Å; L389-Q391 PolarHBondContact O-N 3.27Å; Q391-Q394 PolarHBondContact O-N 3.09Å; Q391-R395 PolarHBondContact O-N 3.23Å
392	E	91	Very high	80.2	Confident	29 Å²	29	71 Å²	71	14%	0.136	37%	0.365	C	S	.	.	H	α-helix	trans	-64	-43.1	175.5	178.7	62.9	-163.4	0	0	111.2	V376 A388 L389 Q394 R395 W396	V376-E392 HydrophobicContact CG1-CB 3.46Å; V376-E392 VanDerWaalsContact CG1-CB 3.46Å; V376-E392 HydrophobicContact CG1-CG 3.78Å; A388-E392 PolarHBondContact O-N 2.94Å; L389-E392 PolarHBondContact O-N 2.8Å; E392-Q394 VanDerWaalsContact C-N 3.34Å; E392-Q394 PolarHBondContact O-N 3.31Å; E392-R395 VanDerWaalsContact CD-NH2 3.29Å; E392-R395 VanDerWaalsContact O-CB 3.27Å; E392-R395 WeakPolarHBondContact O-CB 3.32Å; E392-R395 PolarHBondContact O-N 3.33Å; E392-R395 VanDerWaalsContact O-N 3.15Å; E392-R395 IonicContact OE1-CZ 3.45Å; E392-R395 VanDerWaalsContact OE1-CZ 3.3Å; E392-R395 IonicContact OE1-NE 3.98Å; E392-R395 IonicContact OE1-NH1 3.16Å; E392-R395 IonicContact OE1-NH2 2.83Å; E392-R395 PolarHBondContact OE1-NH2 2.96Å; E392-R395 IonicContact OE2-CZ 2.7Å; E392-R395 IonicContact OE2-NE 3.07Å; E392-R395 IonicContact OE2-NH1 2.7Å; E392-R395 PolarHBondContact OE2-NH1 3.36Å; E392-R395 VanDerWaalsContact OE2-NH1 3.07Å; E392-R395 IonicContact OE2-NH2 3.7Å; E392-R395 PolarHBondContact OE2-NH2 3.48Å; E392-R395 VanDerWaalsContact OE2-NH2 3.15Å; E392-W396 PolarHBondContact OE1-NE1 3.48Å
393	L	90.3	Very high	80.2	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-62.1	-40.6	175.4	-69.1	170.3	0	0	0	112.4	C343 V345 P374 L389 L390 R395 W396 C397 L400 L405 L427	C343-L393 HydrophobicContact CB-CD1 3.93Å; C343-L393 HydrophobicContact CB-CD2 3.98Å; C343-L393 HydrophobicContact CB-CG 4.45Å; V345-L393 HydrophobicContact CG2-CD2 3.43Å; V345-L393 VanDerWaalsContact CG2-CD2 3.43Å; P374-L393 HydrophobicContact CB-CD2 3.65Å; P374-L393 HydrophobicContact CG-CD2 3.98Å; L389-L393 HydrophobicContact CD1-CD1 4.29Å; L389-L393 HydrophobicContact CD1-CG 4.35Å; L389-L393 HydrophobicContact CG-CD1 3.93Å; L389-L393 HydrophobicContact CG-CG 4.41Å; L389-L393 WeakPolarHBondContact O-CB 3.21Å; L389-L393 VanDerWaalsContact O-CG 3.24Å; L389-L393 WeakPolarHBondContact O-CG 3.08Å; L389-L393 PolarHBondContact O-N 3.39Å; L390-L393 PolarHBondContact O-N 2.95Å; L393-R395 PolarHBondContact O-N 2.68Å; L393-W396 PolarHBondContact O-N 2.94Å; L393-W396 VanDerWaalsContact O-N 3.07Å; L393-C397 PolarHBondContact O-N 2.96Å; L393-L400 HydrophobicContact CB-CD1 3.62Å; L393-L405 HydrophobicContact CD1-CD1 4.18Å; L393-L405 HydrophobicContact CD1-CD2 3.91Å; L393-L405 HydrophobicContact CD1-CG 4.42Å; L393-L427 HydrophobicContact CD1-CD2 4.45Å
394	Q	89	Confident	80.9	Confident	75 Å²	75	67.8 Å²	67.8	35%	0.35	35%	0.349	S	S	.	.	H	α-helix	trans	-64.3	-25.7	176.6	-75.8	173.8	-8	0	0	113.1	L390 Q391 E392 W396 G398 L400	L390-Q394 HydrophobicContact CD1-CG 4.48Å; L390-Q394 WeakPolarHBondContact O-CB 3.37Å; L390-Q394 VanDerWaalsContact O-CG 3.24Å; L390-Q394 WeakPolarHBondContact O-CG 3.33Å; L390-Q394 PolarHBondContact O-N 2.76Å; Q391-Q394 PolarHBondContact O-N 3.09Å; E392-Q394 VanDerWaalsContact C-N 3.34Å; E392-Q394 PolarHBondContact O-N 3.31Å; Q394-W396 VanDerWaalsContact C-N 3.29Å; Q394-W396 PolarHBondContact O-N 3.29Å; Q394-G398 VanDerWaalsContact CA-O 3.26Å; Q394-G398 WeakPolarHBondContact CA-O 3.11Å; Q394-G398 CarbonylContact O-C 3.56Å; Q394-G398 VanDerWaalsContact O-CA 3.3Å; Q394-G398 WeakPolarHBondContact O-CA 3.29Å; Q394-G398 PolarHBondContact O-N 2.78Å; Q394-G398 VanDerWaalsContact O-N 3.08Å; Q394-L400 HydrophobicContact CG-CB 4.08Å; Q394-L400 HydrophobicContact CG-CD1 4.38Å; Q394-L400 HydrophobicContact CG-CG 4.35Å; Q394-L400 PolarHBondContact NE2-O 2.86Å
395	R	88.8	Confident	81.7	Confident	156 Å²	156	63.3 Å²	63.3	59%	0.589	33%	0.329	S	S	*	.	H	α-helix	trans	-66.1	-31.1	172.7	-168.2	176.7	73.7	-166	4.5	112.7	Q391 E392 L393	Q391-R395 PolarHBondContact O-N 3.23Å; E392-R395 VanDerWaalsContact CD-NH2 3.29Å; E392-R395 VanDerWaalsContact O-CB 3.27Å; E392-R395 WeakPolarHBondContact O-CB 3.32Å; E392-R395 PolarHBondContact O-N 3.33Å; E392-R395 VanDerWaalsContact O-N 3.15Å; E392-R395 IonicContact OE1-CZ 3.45Å; E392-R395 VanDerWaalsContact OE1-CZ 3.3Å; E392-R395 IonicContact OE1-NE 3.98Å; E392-R395 IonicContact OE1-NH1 3.16Å; E392-R395 IonicContact OE1-NH2 2.83Å; E392-R395 PolarHBondContact OE1-NH2 2.96Å; E392-R395 IonicContact OE2-CZ 2.7Å; E392-R395 IonicContact OE2-NE 3.07Å; E392-R395 IonicContact OE2-NH1 2.7Å; E392-R395 PolarHBondContact OE2-NH1 3.36Å; E392-R395 VanDerWaalsContact OE2-NH1 3.07Å; E392-R395 IonicContact OE2-NH2 3.7Å; E392-R395 PolarHBondContact OE2-NH2 3.48Å; E392-R395 VanDerWaalsContact OE2-NH2 3.15Å; L393-R395 PolarHBondContact O-N 2.68Å
396	W	88.4	Confident	82.3	Confident	37 Å²	37	66.9 Å²	66.9	14%	0.14	35%	0.346	C	S	.	.	H	α-helix	trans	-100.1	-34.6	-175.1	-59	114.4	0	0	0	113.9	L357 V359 E392 L393 Q394 P438 A441	L357-W396 HydrophobicContact CD2-CB 3.87Å; V359-W396 HydrophobicContact CB-CD2 4.45Å; V359-W396 HydrophobicContact CB-CH2 4.32Å; V359-W396 HydrophobicContact CB-CZ2 3.94Å; V359-W396 HydrophobicContact CG1-CD2 3.49Å; V359-W396 VanDerWaalsContact CG1-CD2 3.49Å; V359-W396 VanDerWaalsContact CG1-CE2 3.45Å; V359-W396 HydrophobicContact CG1-CE3 3.98Å; V359-W396 HydrophobicContact CG1-CG 3.76Å; V359-W396 HydrophobicContact CG1-CH2 4.32Å; V359-W396 HydrophobicContact CG1-CZ2 3.88Å; V359-W396 HydrophobicContact CG1-CZ3 4.37Å; E392-W396 PolarHBondContact OE1-NE1 3.48Å; L393-W396 PolarHBondContact O-N 2.94Å; L393-W396 VanDerWaalsContact O-N 3.07Å; Q394-W396 VanDerWaalsContact C-N 3.29Å; Q394-W396 PolarHBondContact O-N 3.29Å; W396-P438 HydrophobicContact CE3-CG 3.75Å; W396-P438 HydrophobicContact CZ3-CG 4.27Å; W396-A441 HydrophobicContact CD2-CB 4.45Å; W396-A441 HydrophobicContact CE3-CB 3.61Å; W396-A441 HydrophobicContact CZ3-CB 3.87Å
397	C	83.8	Confident	82.8	Confident	19 Å²	19	67.4 Å²	67.4	13%	0.128	35%	0.348	C	S	.	.	H	α-helix	trans	-101.7	-10.5	-177.5	-57.9	0	0	0	0	114.3	L357 L393 L400	L357-C397 VanDerWaalsContact CD2-SG 3.52Å; L393-C397 PolarHBondContact O-N 2.96Å; C397-L400 HydrophobicContact CB-CD1 3.88Å; C397-L400 HydrophobicContact CB-CD2 3.83Å; C397-L400 HydrophobicContact CB-CG 3.97Å
398	G	81.6	Confident	83.3	Confident	27 Å²	27	62.4 Å²	62.4	28%	0.278	33%	0.328	S	S	.	.	S	Bend	trans	78.8	-164.9	-165	0	0	0	0	0	112.4	Q394 L400	Q394-G398 VanDerWaalsContact CA-O 3.26Å; Q394-G398 WeakPolarHBondContact CA-O 3.11Å; Q394-G398 CarbonylContact O-C 3.56Å; Q394-G398 VanDerWaalsContact O-CA 3.3Å; Q394-G398 WeakPolarHBondContact O-CA 3.29Å; Q394-G398 PolarHBondContact O-N 2.78Å; Q394-G398 VanDerWaalsContact O-N 3.08Å; G398-L400 PolarHBondContact O-N 3.44Å
399	P	79.9	Confident	83.5	Confident	132 Å²	132	61.8 Å²	61.8	86%	0.857	32%	0.324	S	S	*	.	S	Bend	trans	-59.1	122.7	-178.3	-24.5	35.1	0	0	0	112.7
400	L	76.5	Confident	83.7	Confident	17 Å²	17	66.9 Å²	66.9	9%	0.089	35%	0.348	C	S	.	.			trans	-115.4	138.4	-179.5	-70.4	171.4	0	0	0	111.2	L390 L393 Q394 C397 G398 A402 L427 L429	L390-L400 HydrophobicContact CD1-CB 4.22Å; L393-L400 HydrophobicContact CB-CD1 3.62Å; Q394-L400 HydrophobicContact CG-CB 4.08Å; Q394-L400 HydrophobicContact CG-CD1 4.38Å; Q394-L400 HydrophobicContact CG-CG 4.35Å; Q394-L400 PolarHBondContact NE2-O 2.86Å; C397-L400 HydrophobicContact CB-CD1 3.88Å; C397-L400 HydrophobicContact CB-CD2 3.83Å; C397-L400 HydrophobicContact CB-CG 3.97Å; G398-L400 PolarHBondContact O-N 3.44Å; L400-A402 PolarHBondContact O-N 2.86Å; L400-L427 HydrophobicContact CD1-CD2 3.66Å; L400-L427 HydrophobicContact CD2-CD2 4.1Å; L400-L427 HydrophobicContact CG-CD2 4.38Å; L400-L429 HydrophobicContact CD2-CD2 3.54Å
401	P	66.9	Low	84.1	Confident	79 Å²	79	66.2 Å²	66.2	51%	0.513	35%	0.345	S	S	.	.			trans	-68.4	124.8	172.6	28.9	-33.2	0	0	0	110.1	I403	P401-I403 PolarHBondContact O-N 3.02Å
402	A	62.4	Low	84.4	Confident	56 Å²	56	63.7 Å²	63.7	46%	0.463	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-65.3	-8.5	-173.1	0	0	0	0	0	115.4	L390 L400 R404	L390-A402 HydrophobicContact CD2-CB 3.76Å; L400-A402 PolarHBondContact O-N 2.86Å; A402-R404 PolarHBondContact O-N 3.48Å
403	I	61.2	Low	84.6	Confident	166 Å²	166	63.4 Å²	63.4	85%	0.851	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-87.2	0.4	-165.9	-62.8	160	0	0	0	112.9	P401	P401-I403 PolarHBondContact O-N 3.02Å
404	R	74.5	Confident	84.6	Confident	103 Å²	103	69 Å²	69	39%	0.389	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-122	7.4	-166.3	-68.6	-168.3	176.2	-162.5	5.8	117.6	A402 Q406 L427 A428 D430	A402-R404 PolarHBondContact O-N 3.48Å; R404-Q406 PolarHBondContact O-N 3.34Å; R404-L427 HydrophobicContact CB-CD1 3.47Å; R404-L427 VanDerWaalsContact CB-CD1 3.47Å; R404-A428 PolarHBondContact NH1-O 3.02Å; R404-D430 IonicContact CZ-OD1 3.24Å; R404-D430 IonicContact CZ-OD2 2.78Å; R404-D430 VanDerWaalsContact CZ-OD2 3.24Å; R404-D430 IonicContact NH1-OD1 3.37Å; R404-D430 PolarHBondContact NH1-OD1 3.34Å; R404-D430 IonicContact NH1-OD2 3.53Å; R404-D430 PolarHBondContact NH1-OD2 3.43Å; R404-D430 VanDerWaalsContact NH1-OD2 3.16Å; R404-D430 VanDerWaalsContact NH2-CG 3.34Å; R404-D430 IonicContact NH2-OD1 2.68Å; R404-D430 PolarHBondContact NH2-OD1 2.93Å; R404-D430 IonicContact NH2-OD2 3.64Å; R404-D430 PolarHBondContact NH2-OD2 3.35Å
405	L	85.8	Confident	84.6	Confident	26 Å²	26	67 Å²	67	14%	0.136	35%	0.352	C	S	.	.			trans	-77.6	111.3	173	-93	159.4	0	0	0	110	C343 H386 L389 L390 L393 Y425	C343-L405 HydrophobicContact CB-CD2 4.4Å; H386-L405 VanDerWaalsContact NE2-CB 3.34Å; H386-L405 WeakPolarHBondContact NE2-CB 3.16Å; L389-L405 HydrophobicContact CD2-CD2 3.9Å; L390-L405 HydrophobicContact CB-CD1 4.12Å; L390-L405 HydrophobicContact CD1-CD1 4.06Å; L393-L405 HydrophobicContact CD1-CD1 4.18Å; L393-L405 HydrophobicContact CD1-CD2 3.91Å; L393-L405 HydrophobicContact CD1-CG 4.42Å; L405-Y425 HydrophobicContact CD2-CD1 4.24Å; L405-Y425 HydrophobicContact CD2-CG 4.23Å
406	Q	89.8	Confident	84.4	Confident	95 Å²	95	63.8 Å²	63.8	44%	0.444	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	124.5	174.8	-176.1	176.7	26.6	0	0	109.8	R404 L408 Y425 S426 H468	R404-Q406 PolarHBondContact O-N 3.34Å; Q406-L408 HydrophobicContact CG-CD2 4.08Å; Q406-Y425 CarbonylContact O-C 3.57Å; Q406-Y425 WeakPolarHBondContact O-CA 3.43Å; Q406-S426 PolarHBondContact N-O 3.35Å; Q406-S426 PolarHBondContact O-N 2.83Å; Q406-H468 VanDerWaalsContact CD-NE2 3.3Å; Q406-H468 PolarHBondContact NE2-NE2 3.15Å; Q406-H468 PolarHBondContact OE1-NE2 3.12Å
407	H	91.7	Very high	84.4	Confident	91 Å²	91	67 Å²	67	42%	0.421	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	137.6	168.8	-178.1	-107.7	0	0	0	110.3	G409 Q423 V424 Y425	H407-G409 PolarHBondContact CE1-N 2.97Å; H407-G409 PolarHBondContact NE2-O 3.47Å; H407-Q423 PolarHBondContact NE2-OE1 3.12Å; H407-V424 PolarHBondContact CD2-O 2.83Å; H407-Y425 HydrophobicContact CB-CD1 3.95Å; H407-Y425 HydrophobicContact CB-CE1 3.76Å; H407-Y425 AromaticContact CD2-CE1 3.94Å; H407-Y425 AromaticContact CD2-CZ 3.75Å
408	L	93.1	Very high	84.7	Confident	31 Å²	31	66.1 Å²	66.1	16%	0.162	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	-22.5	-176.3	-56.3	-169.8	0	0	0	113.7	Q406 V424 M464 Y465 H468	Q406-L408 HydrophobicContact CG-CD2 4.08Å; L408-V424 HydrophobicContact CB-CB 4.43Å; L408-V424 HydrophobicContact CB-CG1 4.26Å; L408-V424 HydrophobicContact CD1-CG1 4.08Å; L408-V424 HydrophobicContact CG-CG1 4.44Å; L408-V424 PolarHBondContact N-O 3.29Å; L408-M464 HydrophobicContact CB-CG 4.28Å; L408-M464 HydrophobicContact CB-SD 4.08Å; L408-Y465 HydrophobicContact CD1-CD2 4Å; L408-H468 HydrophobicContact CD2-CB 4.43Å; L408-H468 VanDerWaalsContact CD2-CD2 3.42Å; L408-H468 WeakPolarHBondContact CD2-CD2 3.12Å; L408-H468 WeakPolarHBondContact CD2-NE2 3.34Å
409	G	93.3	Very high	85.3	Confident	19 Å²	19	68.1 Å²	68.1	20%	0.196	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	134.1	-162.6	-173.8	0	0	0	0	0	112.6	H407 V424	H407-G409 PolarHBondContact CE1-N 2.97Å; H407-G409 PolarHBondContact NE2-O 3.47Å; G409-V424 PolarHBondContact O-N 3.5Å
410	E	94.5	Very high	85.9	Confident	107 Å²	107	62.3 Å²	62.3	50%	0.5	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	144.2	-176.7	60.1	167.2	-146.5	0	0	114.1	T421 Y422 M464	E410-T421 HydrophobicContact CB-CG2 4.23Å; E410-Y422 CarbonylContact C-O 3.47Å; E410-Y422 VanDerWaalsContact CA-O 3.28Å; E410-Y422 WeakPolarHBondContact CA-O 3.46Å; E410-M464 WeakPolarHBondContact O-CE 3.43Å
411	V	96.1	Very high	86.8	Confident	10 Å²	10	62 Å²	62	6%	0.061	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	109.8	173.5	172	0	0	0	0	109.4	Y422 V424 K460 V461 M464	V411-Y422 PolarHBondContact N-O 2.93Å; V411-Y422 WeakPolarHBondContact O-CB 3.49Å; V411-Y422 PolarHBondContact O-N 3.26Å; V411-V424 HydrophobicContact CB-CG2 4.21Å; V411-V424 HydrophobicContact CG2-CG2 3.79Å; V411-K460 HydrophobicContact CG1-CB 3.63Å; V411-K460 HydrophobicContact CG1-CD 3.88Å; V411-K460 HydrophobicContact CG1-CG 4.46Å; V411-V461 HydrophobicContact CB-CG2 4.18Å; V411-V461 HydrophobicContact CG1-CG2 4.21Å; V411-V461 HydrophobicContact CG2-CG2 4.24Å; V411-M464 HydrophobicContact CG2-CE 3.74Å; V411-M464 HydrophobicContact CG2-SD 4.02Å
412	I	94.9	Very high	88.2	Confident	63 Å²	63	58.3 Å²	58.3	32%	0.323	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	130.4	175.2	-56.7	176.2	0	0	0	110.3	I414 K419 T421 K460	I412-I414 HydrophobicContact CG2-CG1 4.33Å; I412-K419 HydrophobicContact CG2-CG 4.16Å; I412-T421 HydrophobicContact CG1-CG2 4.3Å; I412-K460 PolarHBondContact O-NZ 2.89Å
413	H	93.8	Very high	89.7	Confident	22 Å²	22	57.2 Å²	57.2	10%	0.102	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	126.1	174	-164.2	83.5	0	0	0	111.3	F415 L420 Y422 T456 A457	H413-F415 AromaticContact CD2-CD2 3.97Å; H413-F415 AromaticContact CD2-CE1 3.74Å; H413-F415 AromaticContact CD2-CE2 3.63Å; H413-F415 AromaticContact CD2-CZ 3.51Å; H413-F415 AromaticContact NE2-CE1 3.89Å; H413-L420 PolarHBondContact N-O 3.22Å; H413-L420 PolarHBondContact O-N 3.38Å; H413-Y422 HydrophobicContact CB-CE2 4.16Å; H413-T456 PolarHBondContact CE1-OG1 3.41Å; H413-T456 VanDerWaalsContact CE1-OG1 3.25Å; H413-A457 HydrophobicContact CB-CB 3.9Å
414	I	91.1	Very high	91.3	Very high	119 Å²	119	49.3 Å²	49.3	61%	0.61	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-107.6	115	-176.8	-58.6	175	0	0	0	109.4	I412 K419	I412-I414 HydrophobicContact CG2-CG1 4.33Å; I414-K419 HydrophobicContact CG1-CG 4.38Å
415	F	89.1	Confident	92.2	Very high	32 Å²	32	45.6 Å²	45.6	14%	0.14	23%	0.232	C	C	.	.			trans	-92.2	164.8	162.6	-52.2	-88.8	0	0	0	109.5	L366 L367 H413 H417 I418 L420	L366-F415 HydrophobicContact CD1-CD1 4.22Å; L366-F415 HydrophobicContact CD1-CE1 4.02Å; L366-F415 HydrophobicContact CD1-CZ 4.21Å; L366-F415 HydrophobicContact CD2-CE2 4.13Å; L366-F415 HydrophobicContact CD2-CZ 4.18Å; L366-F415 HydrophobicContact CG-CZ 4.49Å; L367-F415 HydrophobicContact CD1-CE1 4.15Å; L367-F415 HydrophobicContact CD1-CZ 3.96Å; L367-F415 HydrophobicContact CD2-CE1 4.28Å; L367-F415 HydrophobicContact CG-CE1 4.28Å; L367-F415 HydrophobicContact CG-CZ 4.48Å; H413-F415 AromaticContact CD2-CD2 3.97Å; H413-F415 AromaticContact CD2-CE1 3.74Å; H413-F415 AromaticContact CD2-CE2 3.63Å; H413-F415 AromaticContact CD2-CZ 3.51Å; H413-F415 AromaticContact NE2-CE1 3.89Å; F415-H417 PolarHBondContact O-N 2.94Å; F415-I418 CarbonylContact C-O 3.49Å; F415-I418 WeakPolarHBondContact CA-O 3.47Å; F415-I418 HydrophobicContact CB-CB 4.22Å; F415-I418 HydrophobicContact CD2-CB 3.96Å; F415-I418 PolarHBondContact N-O 3.05Å; F415-I418 PolarHBondContact O-N 2.83Å; F415-I418 VanDerWaalsContact O-O 3.05Å; F415-L420 HydrophobicContact CD2-CB 4.44Å; F415-L420 HydrophobicContact CE2-CB 4Å; F415-L420 HydrophobicContact CE2-CD2 3.98Å
416	S	84.3	Confident	92.6	Very high	89 Å²	89	44.9 Å²	44.9	62%	0.622	23%	0.229	S	C	*	.	S	Bend	trans	-63.4	-13.7	-177.4	-49	0	0	0	0	115.7	Y150	Y150-S416 PolarHBondContact OH-OG 3.16Å
417	H	87.4	Confident	92.7	Very high	103 Å²	103	40.5 Å²	40.5	48%	0.477	21%	0.209	S	C	.	.	S	Bend	trans	-132.9	-1.4	179.3	59.9	-74.7	0	0	0	113.7	R336 F415	R336-H417 WeakPolarHBondContact CG-O 3.3Å; R336-H417 PolarHBondContact N-O 2.93Å; F415-H417 PolarHBondContact O-N 2.94Å
418	I	90.5	Very high	92.6	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	131.9	-176.2	-44.1	173.6	0	0	0	109.7	R336 E338 L366 F415 L420	R336-I418 HydrophobicContact CG-CB 4.48Å; R336-I418 HydrophobicContact CG-CG1 4.28Å; R336-I418 HydrophobicContact CG-CG2 4.29Å; R336-I418 CarbonylContact O-C 3.52Å; R336-I418 VanDerWaalsContact O-CA 3.3Å; R336-I418 WeakPolarHBondContact O-CA 3.37Å; E338-I418 HydrophobicContact CB-CG2 3.87Å; E338-I418 HydrophobicContact CG-CG2 3.71Å; E338-I418 WeakPolarHBondContact OE1-CG2 3.42Å; L366-I418 HydrophobicContact CD1-CD1 4.34Å; L366-I418 HydrophobicContact CD2-CD1 3.87Å; F415-I418 CarbonylContact C-O 3.49Å; F415-I418 WeakPolarHBondContact CA-O 3.47Å; F415-I418 HydrophobicContact CB-CB 4.22Å; F415-I418 HydrophobicContact CD2-CB 3.96Å; F415-I418 PolarHBondContact N-O 3.05Å; F415-I418 PolarHBondContact O-N 2.83Å; F415-I418 VanDerWaalsContact O-O 3.05Å; I418-L420 HydrophobicContact CG2-CB 4.28Å
419	K	93.8	Very high	92.2	Very high	70 Å²	70	38.2 Å²	38.2	30%	0.304	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	105.2	161.4	173.1	-174.9	160.4	-158.7	0	107	R336 E337 E338 I412 I414	R336-K419 PolarHBondContact O-N 2.88Å; E337-K419 WeakPolarHBondContact CA-O 3.22Å; E337-K419 HydrophobicContact CG-CD 4.39Å; E337-K419 WeakPolarHBondContact OE1-CD 3.47Å; E337-K419 WeakPolarHBondContact OE1-CE 3.36Å; E337-K419 IonicContact OE1-NZ 3.8Å; E337-K419 PolarHBondContact OE1-NZ 3.43Å; E338-K419 PolarHBondContact N-O 3.11Å; I412-K419 HydrophobicContact CG2-CG 4.16Å; I414-K419 HydrophobicContact CG1-CG 4.38Å
420	L	94	Very high	91.5	Very high	10 Å²	10	42.7 Å²	42.7	5%	0.052	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	120.8	-177.1	178.4	56.3	0	0	0	110.1	E338 H413 F415 I418 Y422	E338-L420 HydrophobicContact CB-CD1 3.72Å; E338-L420 WeakPolarHBondContact O-CA 3.37Å; H413-L420 PolarHBondContact N-O 3.22Å; H413-L420 PolarHBondContact O-N 3.38Å; F415-L420 HydrophobicContact CD2-CB 4.44Å; F415-L420 HydrophobicContact CE2-CB 4Å; F415-L420 HydrophobicContact CE2-CD2 3.98Å; I418-L420 HydrophobicContact CG2-CB 4.28Å; L420-Y422 HydrophobicContact CD2-CD2 4.47Å; L420-Y422 HydrophobicContact CD2-CE1 4.06Å; L420-Y422 HydrophobicContact CD2-CE2 3.6Å; L420-Y422 VanDerWaalsContact CD2-OH 3.29Å; L420-Y422 WeakPolarHBondContact CD2-OH 3.39Å; L420-Y422 HydrophobicContact CG-CD2 4.17Å; L420-Y422 HydrophobicContact CG-CE1 4.49Å; L420-Y422 HydrophobicContact CG-CE2 3.75Å
421	T	94.9	Very high	90.5	Very high	9 Å²	9	45.1 Å²	45.1	6%	0.055	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	115.6	175.1	-60.5	0	0	0	0	109.6	E338 Y339 S340 E410 I412	E338-T421 PolarHBondContact O-N 3.19Å; Y339-T421 WeakPolarHBondContact CA-O 3.45Å; Y339-T421 HydrophobicContact CD1-CG2 4.33Å; Y339-T421 HydrophobicContact CE1-CG2 4.49Å; S340-T421 PolarHBondContact N-O 3.22Å; E410-T421 HydrophobicContact CB-CG2 4.23Å; I412-T421 HydrophobicContact CG1-CG2 4.3Å
422	Y	95.1	Very high	89.3	Confident	3 Å²	3	47.4 Å²	47.4	1%	0.012	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	116.4	173.7	-68.2	-86.2	0	0	0	110.3	S340 T342 E410 V411 H413 L420 A457 M458	S340-Y422 CarbonylContact O-C 3.49Å; S340-Y422 VanDerWaalsContact O-CA 3.28Å; S340-Y422 WeakPolarHBondContact O-CA 3.39Å; T342-Y422 HydrophobicContact CG2-CD1 3.9Å; T342-Y422 HydrophobicContact CG2-CG 4.37Å; E410-Y422 CarbonylContact C-O 3.47Å; E410-Y422 VanDerWaalsContact CA-O 3.28Å; E410-Y422 WeakPolarHBondContact CA-O 3.46Å; V411-Y422 PolarHBondContact N-O 2.93Å; V411-Y422 WeakPolarHBondContact O-CB 3.49Å; V411-Y422 PolarHBondContact O-N 3.26Å; H413-Y422 HydrophobicContact CB-CE2 4.16Å; L420-Y422 HydrophobicContact CD2-CD2 4.47Å; L420-Y422 HydrophobicContact CD2-CE1 4.06Å; L420-Y422 HydrophobicContact CD2-CE2 3.6Å; L420-Y422 VanDerWaalsContact CD2-OH 3.29Å; L420-Y422 WeakPolarHBondContact CD2-OH 3.39Å; L420-Y422 HydrophobicContact CG-CD2 4.17Å; L420-Y422 HydrophobicContact CG-CE1 4.49Å; L420-Y422 HydrophobicContact CG-CE2 3.75Å; Y422-A457 HydrophobicContact CD2-CB 4.4Å; Y422-A457 HydrophobicContact CE2-CB 3.61Å; Y422-M458 HydrophobicContact CD1-CE 4.27Å; Y422-M458 HydrophobicContact CE1-CE 3.48Å; Y422-M458 VanDerWaalsContact CE1-CE 3.48Å
423	Q	94.2	Very high	87.8	Confident	33 Å²	33	46 Å²	46	15%	0.154	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	115.8	162.5	-66.3	-58.1	-24.5	0	0	108.4	S340 A341 T342 H407 Y425	S340-Q423 PolarHBondContact O-N 3.3Å; A341-Q423 WeakPolarHBondContact CA-O 3.31Å; T342-Q423 PolarHBondContact N-O 3.24Å; H407-Q423 PolarHBondContact NE2-OE1 3.12Å; Q423-Y425 HydrophobicContact CB-CE2 4Å
424	V	95.5	Very high	86	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	128.5	-172	-177.3	0	0	0	0	110.4	T342 H407 L408 G409 V411 V461 M464	T342-V424 HydrophobicContact CG2-CG2 4.19Å; H407-V424 PolarHBondContact CD2-O 2.83Å; L408-V424 HydrophobicContact CB-CB 4.43Å; L408-V424 HydrophobicContact CB-CG1 4.26Å; L408-V424 HydrophobicContact CD1-CG1 4.08Å; L408-V424 HydrophobicContact CG-CG1 4.44Å; L408-V424 PolarHBondContact N-O 3.29Å; G409-V424 PolarHBondContact O-N 3.5Å; V411-V424 HydrophobicContact CB-CG2 4.21Å; V411-V424 HydrophobicContact CG2-CG2 3.79Å; V424-V461 HydrophobicContact CG1-CG1 3.87Å; V424-V461 HydrophobicContact CG2-CB 4.48Å; V424-V461 HydrophobicContact CG2-CG1 4.11Å; V424-V461 HydrophobicContact CG2-CG2 4.01Å; V424-M464 HydrophobicContact CB-SD 3.74Å; V424-M464 HydrophobicContact CG1-SD 4.07Å; V424-M464 HydrophobicContact CG2-SD 3.84Å
425	Y	94.2	Very high	84.5	Confident	25 Å²	25	48.8 Å²	48.8	10%	0.098	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	163.4	173.1	-63.9	-99.6	0	0	0	110.9	A341 T342 C343 V344 L389 L405 Q406 H407 Q423	A341-Y425 HydrophobicContact CB-CD2 4.38Å; A341-Y425 HydrophobicContact CB-CE2 3.97Å; T342-Y425 PolarHBondContact O-N 2.78Å; C343-Y425 VanDerWaalsContact CA-O 3.32Å; C343-Y425 WeakPolarHBondContact CA-O 3.25Å; V344-Y425 PolarHBondContact N-O 3.45Å; L389-Y425 HydrophobicContact CD2-CD1 4.29Å; L389-Y425 HydrophobicContact CD2-CD2 3.42Å; L389-Y425 VanDerWaalsContact CD2-CD2 3.42Å; L389-Y425 HydrophobicContact CD2-CE2 3.93Å; L389-Y425 HydrophobicContact CD2-CG 3.63Å; L405-Y425 HydrophobicContact CD2-CD1 4.24Å; L405-Y425 HydrophobicContact CD2-CG 4.23Å; Q406-Y425 CarbonylContact O-C 3.57Å; Q406-Y425 WeakPolarHBondContact O-CA 3.43Å; H407-Y425 HydrophobicContact CB-CD1 3.95Å; H407-Y425 HydrophobicContact CB-CE1 3.76Å; H407-Y425 AromaticContact CD2-CE1 3.94Å; H407-Y425 AromaticContact CD2-CZ 3.75Å; Q423-Y425 HydrophobicContact CB-CE2 4Å
426	S	93.7	Very high	83.8	Confident	10 Å²	10	53.4 Å²	53.4	7%	0.07	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	155.6	165.3	65.2	0	0	0	0	112.1	V344 Q406	V344-S426 WeakPolarHBondContact O-CA 3.49Å; Q406-S426 PolarHBondContact N-O 3.35Å; Q406-S426 PolarHBondContact O-N 2.83Å
427	L	91.2	Very high	83.6	Confident	3 Å²	3	50.5 Å²	50.5	2%	0.016	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	118	174.8	176.4	61.7	0	0	0	109.3	V344 V345 E346 L393 L400 R404 L429	V344-L427 PolarHBondContact O-N 3.12Å; V345-L427 WeakPolarHBondContact CA-O 3.42Å; V345-L427 HydrophobicContact CG1-CB 4.46Å; V345-L427 HydrophobicContact CG1-CD2 4.3Å; V345-L427 HydrophobicContact CG1-CG 4.41Å; V345-L427 HydrophobicContact CG2-CB 4.49Å; E346-L427 PolarHBondContact N-O 3.34Å; L393-L427 HydrophobicContact CD1-CD2 4.45Å; L400-L427 HydrophobicContact CD1-CD2 3.66Å; L400-L427 HydrophobicContact CD2-CD2 4.1Å; L400-L427 HydrophobicContact CG-CD2 4.38Å; R404-L427 HydrophobicContact CB-CD1 3.47Å; R404-L427 VanDerWaalsContact CB-CD1 3.47Å; L427-L429 HydrophobicContact CD2-CD2 4.11Å; L427-L429 HydrophobicContact CG-CD2 4.08Å
428	A	88.9	Confident	83.5	Confident	48 Å²	48	47.6 Å²	47.6	40%	0.397	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	120.7	172.7	0	0	0	0	0	110.4	R404	R404-A428 PolarHBondContact NH1-O 3.02Å
429	L	85.5	Confident	83.4	Confident	26 Å²	26	53.7 Å²	53.7	14%	0.136	33%	0.334	C	S	.	.			trans	-83.7	140.6	172.5	-51.8	-175.9	0	0	0	109.6	V345 E346 Q347 P348 L400 L427 Q431 P433 W443	V345-L429 HydrophobicContact CG1-CD1 3.99Å; V345-L429 HydrophobicContact CG1-CD2 4.24Å; V345-L429 HydrophobicContact CG1-CG 3.95Å; E346-L429 PolarHBondContact O-N 3.07Å; Q347-L429 HydrophobicContact CB-CB 4.43Å; Q347-L429 HydrophobicContact CB-CD1 4.43Å; P348-L429 WeakPolarHBondContact CD-O 3.25Å; L400-L429 HydrophobicContact CD2-CD2 3.54Å; L427-L429 HydrophobicContact CD2-CD2 4.11Å; L427-L429 HydrophobicContact CG-CD2 4.08Å; L429-Q431 VanDerWaalsContact C-N 3.32Å; L429-P433 HydrophobicContact CD1-CG 4.24Å; L429-W443 HydrophobicContact CD1-CH2 3.85Å; L429-W443 HydrophobicContact CD1-CZ2 4.32Å
430	D	78.9	Confident	83.3	Confident	113 Å²	113	51.9 Å²	51.9	60%	0.604	34%	0.335	S	S	*	.	S	Bend	trans	-75.1	-25.7	176.1	-68.7	-32.2	0	0	0	112.8	R404	R404-D430 IonicContact CZ-OD1 3.24Å; R404-D430 IonicContact CZ-OD2 2.78Å; R404-D430 VanDerWaalsContact CZ-OD2 3.24Å; R404-D430 IonicContact NH1-OD1 3.37Å; R404-D430 PolarHBondContact NH1-OD1 3.34Å; R404-D430 IonicContact NH1-OD2 3.53Å; R404-D430 PolarHBondContact NH1-OD2 3.43Å; R404-D430 VanDerWaalsContact NH1-OD2 3.16Å; R404-D430 VanDerWaalsContact NH2-CG 3.34Å; R404-D430 IonicContact NH2-OD1 2.68Å; R404-D430 PolarHBondContact NH2-OD1 2.93Å; R404-D430 IonicContact NH2-OD2 3.64Å; R404-D430 PolarHBondContact NH2-OD2 3.35Å
431	Q	73.3	Confident	83.3	Confident	159 Å²	159	52 Å²	52	74%	0.743	34%	0.337	S	S	*	.	S	Bend	trans	-138.9	150.3	-173	-60.3	-178.5	11	0	0	108.6	L429	L429-Q431 VanDerWaalsContact C-N 3.32Å
432	A	70.1	Confident	83.1	Confident	57 Å²	57	54.1 Å²	54.1	47%	0.471	34%	0.344	S	S	.	.			trans	-65	140.8	168.9	0	0	0	0	0	110	Q347 A434	Q347-A432 VanDerWaalsContact OE1-CB 3.28Å; A432-A434 PolarHBondContact O-N 2.91Å
433	P	63.7	Low	83	Confident	34 Å²	34	56.1 Å²	56.1	22%	0.221	35%	0.352	C	S	.	.			trans	-56.7	140.8	172.9	-23.2	34.1	0	0	0	111	L429 S435 W443	L429-P433 HydrophobicContact CD1-CG 4.24Å; P433-S435 PolarHBondContact O-N 3.38Å; P433-S435 VanDerWaalsContact O-N 3.08Å; P433-W443 HydrophobicContact CG-CZ2 3.85Å
434	A	56.5	Low	82.9	Confident	119 Å²	119	55 Å²	55	98%	0.983	35%	0.347	S	S	*	.	S	Bend	trans	-65.1	-12	179.4	0	0	0	0	0	114	A432	A432-A434 PolarHBondContact O-N 2.91Å
435	S	60.4	Low	82.7	Confident	80 Å²	80	56.2 Å²	56.2	56%	0.559	35%	0.354	S	S	*	.	S	Bend	trans	-110.6	149.9	177.4	61.6	0	0	0	0	111.8	P433	P433-S435 PolarHBondContact O-N 3.38Å; P433-S435 VanDerWaalsContact O-N 3.08Å
436	T	73.9	Confident	82.5	Confident	130 Å²	130	58.1 Å²	58.1	80%	0.798	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-53	155	159.8	46.5	0	0	0	0	110.9
437	A	80.1	Confident	82.3	Confident	27 Å²	27	64.7 Å²	64.7	22%	0.223	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-58	137.9	174.6	0	0	0	0	0	110.2	A441	A437-A441 HydrophobicContact CB-CB 4.09Å; A437-A441 WeakPolarHBondContact CB-O 3.4Å
438	P	86.2	Confident	82.3	Confident	43 Å²	43	69 Å²	69	28%	0.279	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-66.1	162.7	179.5	30.4	-38.5	0	0	0	111.3	W396 G440 A441	W396-P438 HydrophobicContact CE3-CG 3.75Å; W396-P438 HydrophobicContact CZ3-CG 4.27Å; P438-G440 PolarHBondContact O-N 3.42Å; P438-A441 HydrophobicContact CG-CB 4.14Å; P438-A441 PolarHBondContact O-N 2.96Å
439	P	87.9	Confident	82.4	Confident	129 Å²	129	66.9 Å²	66.9	84%	0.838	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	129.6	178.3	-26.8	35.3	0	0	0	112.4
440	G	91.1	Very high	82.5	Confident	31 Å²	31	68.8 Å²	68.8	32%	0.32	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.2	2.5	-173.4	0	0	0	0	0	114.8	V359 Q360 P438	V359-G440 CarbonylContact C-O 3.54Å; V359-G440 WeakPolarHBondContact CA-O 3.33Å; Q360-G440 PolarHBondContact N-O 3.25Å; P438-G440 PolarHBondContact O-N 3.42Å
441	A	93.3	Very high	82.8	Confident	12 Å²	12	68.8 Å²	68.8	10%	0.099	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	154.3	171.3	0	0	0	0	0	111.9	L357 L358 V359 W396 A437 P438	L357-A441 HydrophobicContact CD1-CB 4.12Å; L358-A441 CarbonylContact O-C 3.53Å; L358-A441 VanDerWaalsContact O-CA 3.3Å; L358-A441 WeakPolarHBondContact O-CA 3.41Å; V359-A441 HydrophobicContact CG1-CB 4.13Å; W396-A441 HydrophobicContact CD2-CB 4.45Å; W396-A441 HydrophobicContact CE3-CB 3.61Å; W396-A441 HydrophobicContact CZ3-CB 3.87Å; A437-A441 HydrophobicContact CB-CB 4.09Å; A437-A441 WeakPolarHBondContact CB-O 3.4Å; P438-A441 HydrophobicContact CG-CB 4.14Å; P438-A441 PolarHBondContact O-N 2.96Å
442	R	92.1	Very high	83.5	Confident	55 Å²	55	61.4 Å²	61.4	21%	0.208	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	149.9	171.7	68.3	-174.4	-176.1	-171.6	2.9	112.1	E139 L358 W371 L444	E139-R442 IonicContact OE1-CZ 3.04Å; E139-R442 VanDerWaalsContact OE1-CZ 3.28Å; E139-R442 IonicContact OE1-NH1 3.82Å; E139-R442 PolarHBondContact OE1-NH1 3.16Å; E139-R442 IonicContact OE1-NH2 3.3Å; E139-R442 PolarHBondContact OE1-NH2 3.39Å; E139-R442 IonicContact OE2-NH1 3.62Å; E139-R442 PolarHBondContact OE2-NH1 2.92Å; L358-R442 PolarHBondContact N-O 2.98Å; L358-R442 PolarHBondContact O-N 3.48Å; W371-R442 VanDerWaalsContact CD1-NH2 3.3Å; W371-R442 HydrophobicContact CE3-CG 3.98Å; W371-R442 HydrophobicContact CH2-CB 4.32Å; W371-R442 HydrophobicContact CH2-CG 3.84Å; W371-R442 HydrophobicContact CZ2-CG 4.37Å; W371-R442 HydrophobicContact CZ3-CB 4.28Å; W371-R442 HydrophobicContact CZ3-CG 3.62Å; W371-R442 VanDerWaalsContact NE1-CZ 3.3Å; W371-R442 VanDerWaalsContact NE1-NH2 3.13Å; R442-L444 HydrophobicContact CG-CD2 3.95Å; R442-L444 HydrophobicContact CG-CG 4.05Å
443	W	92	Very high	84.6	Confident	44 Å²	44	58.7 Å²	58.7	17%	0.167	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	128.2	168.9	-67.5	102.4	0	0	0	108.9	V345 Q347 L355 V356 L357 L429 P433	V345-W443 HydrophobicContact CB-CH2 4.46Å; V345-W443 HydrophobicContact CG1-CH2 3.9Å; V345-W443 HydrophobicContact CG1-CZ3 4.4Å; Q347-W443 HydrophobicContact CB-CH2 4.26Å; Q347-W443 HydrophobicContact CB-CZ3 4.05Å; Q347-W443 HydrophobicContact CG-CD2 4.24Å; Q347-W443 HydrophobicContact CG-CE3 3.7Å; Q347-W443 HydrophobicContact CG-CH2 4.22Å; Q347-W443 HydrophobicContact CG-CZ3 3.68Å; Q347-W443 VanDerWaalsContact NE2-CG 3.27Å; L355-W443 HydrophobicContact CB-CB 4.29Å; L355-W443 HydrophobicContact CB-CE3 4.24Å; L355-W443 HydrophobicContact CD1-CB 4.44Å; V356-W443 WeakPolarHBondContact O-CA 3.21Å; L357-W443 HydrophobicContact CB-CD2 4.37Å; L357-W443 HydrophobicContact CB-CE3 3.92Å; L357-W443 HydrophobicContact CB-CH2 3.84Å; L357-W443 HydrophobicContact CB-CZ2 4.26Å; L357-W443 HydrophobicContact CB-CZ3 3.66Å; L357-W443 HydrophobicContact CD1-CD2 4.22Å; L357-W443 HydrophobicContact CD1-CZ2 4.21Å; L357-W443 HydrophobicContact CD2-CZ2 4.49Å; L429-W443 HydrophobicContact CD1-CH2 3.85Å; L429-W443 HydrophobicContact CD1-CZ2 4.32Å; P433-W443 HydrophobicContact CG-CZ2 3.85Å
444	L	91.8	Very high	85.9	Confident	10 Å²	10	57.1 Å²	57.1	5%	0.052	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	145.2	178.5	-65.8	-169	0	0	0	110.9	L355 V356 L358 R442 E448 A452	L355-L444 CarbonylContact C-O 3.57Å; L355-L444 VanDerWaalsContact CA-O 3.29Å; L355-L444 WeakPolarHBondContact CA-O 3.24Å; V356-L444 PolarHBondContact N-O 3.29Å; V356-L444 PolarHBondContact O-N 3.48Å; L358-L444 HydrophobicContact CD1-CD1 3.57Å; L358-L444 HydrophobicContact CD1-CG 4.37Å; L358-L444 HydrophobicContact CG-CD1 4.39Å; R442-L444 HydrophobicContact CG-CD2 3.95Å; R442-L444 HydrophobicContact CG-CG 4.05Å; L444-E448 HydrophobicContact CB-CB 3.94Å; L444-E448 HydrophobicContact CD1-CB 4.19Å; L444-E448 HydrophobicContact CD2-CB 3.97Å; L444-E448 HydrophobicContact CG-CB 4.25Å; L444-A452 HydrophobicContact CD1-CB 3.89Å
445	T	91.8	Very high	87.6	Confident	25 Å²	25	51.7 Å²	51.7	15%	0.153	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	164.2	159.6	60.2	0	0	0	0	110.7	L355 E447 E448 F449	L355-T445 HydrophobicContact CD2-CG2 3.58Å; T445-E447 PolarHBondContact O-N 3.14Å; T445-E448 WeakPolarHBondContact CB-OE2 3.41Å; T445-E448 WeakPolarHBondContact CG2-OE2 3.42Å; T445-E448 PolarHBondContact N-OE2 3.27Å; T445-E448 PolarHBondContact O-N 3.02Å; T445-E448 WeakPolarHBondContact OG1-CB 3.35Å; T445-E448 VanDerWaalsContact OG1-CD 3.31Å; T445-E448 VanDerWaalsContact OG1-CG 3.24Å; T445-E448 WeakPolarHBondContact OG1-CG 3.34Å; T445-E448 PolarHBondContact OG1-N 3.5Å; T445-E448 PolarHBondContact OG1-OE2 2.97Å; T445-F449 PolarHBondContact O-N 3.08Å
446	W	90.3	Very high	89.1	Confident	66 Å²	66	51 Å²	51	25%	0.25	29%	0.289	C	S	.	.	H	α-helix	trans	-62.5	-31.8	176.6	-67.9	16.4	0	0	0	112.1	P354 C450 F462 Y465 E466	P354-W446 HydrophobicContact CG-CD2 4.34Å; P354-W446 HydrophobicContact CG-CZ2 3.88Å; W446-C450 PolarHBondContact O-N 3.23Å; W446-C450 PolarHBondContact O-SG 2.84Å; W446-F462 HydrophobicContact CB-CZ 4.02Å; W446-F462 AromaticContact CD1-CZ 3.86Å; W446-F462 HydrophobicContact CD2-CE1 4.49Å; W446-F462 HydrophobicContact CD2-CE2 4.45Å; W446-F462 AromaticContact CD2-CZ 3.63Å; W446-F462 HydrophobicContact CD2-CZ 3.63Å; W446-F462 AromaticContact CE2-CZ 3.95Å; W446-F462 HydrophobicContact CE3-CZ 4.09Å; W446-F462 HydrophobicContact CG-CE1 4.49Å; W446-F462 HydrophobicContact CG-CE2 4.42Å; W446-F462 AromaticContact CG-CZ 3.59Å; W446-F462 HydrophobicContact CG-CZ 3.59Å; W446-Y465 HydrophobicContact CZ2-CE1 4.25Å; W446-E466 HydrophobicContact CE3-CG 4.39Å; W446-E466 HydrophobicContact CH2-CG 4.25Å; W446-E466 HydrophobicContact CZ3-CG 3.94Å
447	E	88.9	Confident	90.1	Very high	148 Å²	148	44.9 Å²	44.9	69%	0.692	25%	0.251	S	S	*	.	H	α-helix	trans	-70	-46.8	175.2	-176.7	171.9	-175.4	0	0	111.8	T445 F449 C450 N451	T445-E447 PolarHBondContact O-N 3.14Å; E447-F449 VanDerWaalsContact C-N 3.3Å; E447-F449 PolarHBondContact O-N 3.31Å; E447-C450 WeakPolarHBondContact O-CB 3.29Å; E447-C450 PolarHBondContact O-N 2.74Å; E447-C450 VanDerWaalsContact O-N 3.14Å; E447-N451 PolarHBondContact O-N 3Å; E447-N451 PolarHBondContact O-ND2 3.17Å
448	E	91.4	Very high	90.8	Very high	93 Å²	93	43.6 Å²	43.6	44%	0.435	24%	0.24	S	C	.	.	H	α-helix	trans	-62.1	-37.7	174.8	-70.4	164.5	126.2	0	0	111.8	L444 T445 C450 N451 A452	L444-E448 HydrophobicContact CB-CB 3.94Å; L444-E448 HydrophobicContact CD1-CB 4.19Å; L444-E448 HydrophobicContact CD2-CB 3.97Å; L444-E448 HydrophobicContact CG-CB 4.25Å; T445-E448 WeakPolarHBondContact CB-OE2 3.41Å; T445-E448 WeakPolarHBondContact CG2-OE2 3.42Å; T445-E448 PolarHBondContact N-OE2 3.27Å; T445-E448 PolarHBondContact O-N 3.02Å; T445-E448 WeakPolarHBondContact OG1-CB 3.35Å; T445-E448 VanDerWaalsContact OG1-CD 3.31Å; T445-E448 VanDerWaalsContact OG1-CG 3.24Å; T445-E448 WeakPolarHBondContact OG1-CG 3.34Å; T445-E448 PolarHBondContact OG1-N 3.5Å; T445-E448 PolarHBondContact OG1-OE2 2.97Å; E448-C450 VanDerWaalsContact C-N 3.32Å; E448-C450 PolarHBondContact O-N 3.48Å; E448-N451 CarbonylContact O-C 3.56Å; E448-N451 PolarHBondContact O-N 3.47Å; E448-A452 WeakPolarHBondContact O-CB 3.11Å; E448-A452 PolarHBondContact O-N 3.04Å
449	F	91.5	Very high	91.2	Very high	3 Å²	3	45 Å²	45	1%	0.013	24%	0.242	C	C	.	.	H	α-helix	trans	-57.4	-43.6	172.5	170.7	-90.5	0	0	0	112.1	V356 L358 F373 T445 E447 N451 A452 V454 F462	V356-F449 HydrophobicContact CG2-CB 4.4Å; L358-F449 HydrophobicContact CD1-CD2 3.96Å; L358-F449 HydrophobicContact CD1-CE2 4.5Å; L358-F449 HydrophobicContact CD2-CD2 3.98Å; L358-F449 HydrophobicContact CD2-CE2 4.06Å; L358-F449 HydrophobicContact CG-CD2 4.39Å; F373-F449 HydrophobicContact CE1-CD2 4.4Å; F373-F449 HydrophobicContact CE1-CE2 4.16Å; F373-F449 AromaticContact CE2-CE2 3.68Å; F373-F449 HydrophobicContact CE2-CE2 3.68Å; F373-F449 AromaticContact CE2-CZ 3.95Å; F373-F449 HydrophobicContact CE2-CZ 3.95Å; F373-F449 AromaticContact CZ-CD2 3.87Å; F373-F449 HydrophobicContact CZ-CD2 3.87Å; F373-F449 AromaticContact CZ-CE2 3.32Å; F373-F449 HydrophobicContact CZ-CE2 3.32Å; F373-F449 AromaticContact CZ-CZ 3.84Å; F373-F449 HydrophobicContact CZ-CZ 3.84Å; T445-F449 PolarHBondContact O-N 3.08Å; E447-F449 VanDerWaalsContact C-N 3.3Å; E447-F449 PolarHBondContact O-N 3.31Å; F449-N451 VanDerWaalsContact C-N 3.26Å; F449-N451 PolarHBondContact O-N 2.97Å; F449-A452 PolarHBondContact O-N 3.11Å; F449-V454 HydrophobicContact CD2-CG1 4.31Å; F449-V454 HydrophobicContact CE2-CB 4.44Å; F449-V454 HydrophobicContact CE2-CG1 3.99Å; F449-V454 HydrophobicContact CE2-CG2 4.26Å; F449-V454 HydrophobicContact CZ-CG2 4.13Å; F449-F462 HydrophobicContact CD1-CB 4.35Å; F449-F462 AromaticContact CD1-CD1 3.57Å; F449-F462 HydrophobicContact CD1-CD1 3.57Å; F449-F462 HydrophobicContact CD1-CD2 4.36Å; F449-F462 AromaticContact CD1-CE1 3.86Å; F449-F462 HydrophobicContact CD1-CE1 3.86Å; F449-F462 AromaticContact CD1-CG 3.83Å; F449-F462 HydrophobicContact CD1-CG 3.83Å; F449-F462 HydrophobicContact CD1-CZ 4.37Å; F449-F462 HydrophobicContact CE1-CB 3.47Å; F449-F462 VanDerWaalsContact CE1-CB 3.47Å; F449-F462 AromaticContact CE1-CD1 3.4Å; F449-F462 HydrophobicContact CE1-CD1 3.4Å; F449-F462 HydrophobicContact CE1-CD2 4.26Å; F449-F462 HydrophobicContact CE1-CE1 4.18Å; F449-F462 AromaticContact CE1-CG 3.43Å; F449-F462 HydrophobicContact CE1-CG 3.43Å; F449-F462 VanDerWaalsContact CE1-CG 3.43Å; F449-F462 HydrophobicContact CE2-CB 4.36Å; F449-F462 HydrophobicContact CZ-CB 3.49Å; F449-F462 VanDerWaalsContact CZ-CB 3.49Å; F449-F462 HydrophobicContact CZ-CD1 4.27Å; F449-F462 HydrophobicContact CZ-CD2 4.48Å; F449-F462 AromaticContact CZ-CG 3.84Å; F449-F462 HydrophobicContact CZ-CG 3.84Å
450	C	86.2	Confident	91.5	Very high	67 Å²	67	43.4 Å²	43.4	45%	0.453	22%	0.222	S	C	.	.	H	α-helix	trans	-63	-35.4	-179.3	-71.1	0	0	0	0	112.7	W446 E447 E448 K459	W446-C450 PolarHBondContact O-N 3.23Å; W446-C450 PolarHBondContact O-SG 2.84Å; E447-C450 WeakPolarHBondContact O-CB 3.29Å; E447-C450 PolarHBondContact O-N 2.74Å; E447-C450 VanDerWaalsContact O-N 3.14Å; E448-C450 VanDerWaalsContact C-N 3.32Å; E448-C450 PolarHBondContact O-N 3.48Å; C450-K459 PolarHBondContact O-NZ 3.34Å; C450-K459 VanDerWaalsContact O-NZ 3.1Å
451	N	86	Confident	91.8	Very high	113 Å²	113	42 Å²	42	60%	0.604	21%	0.207	S	C	*	.	H	α-helix	trans	-88.1	-14	179.9	-66.8	-42.6	0	0	0	113.9	E447 E448 F449	E447-N451 PolarHBondContact O-N 3Å; E447-N451 PolarHBondContact O-ND2 3.17Å; E448-N451 CarbonylContact O-C 3.56Å; E448-N451 PolarHBondContact O-N 3.47Å; F449-N451 VanDerWaalsContact C-N 3.26Å; F449-N451 PolarHBondContact O-N 2.97Å
452	A	89.2	Confident	91.9	Very high	3 Å²	3	41.6 Å²	41.6	3%	0.025	20%	0.203	C	C	.	.	S	Bend	trans	-68.2	158.7	-179.3	0	0	0	0	0	113.4	L444 E448 F449 V454	L444-A452 HydrophobicContact CD1-CB 3.89Å; E448-A452 WeakPolarHBondContact O-CB 3.11Å; E448-A452 PolarHBondContact O-N 3.04Å; F449-A452 PolarHBondContact O-N 3.11Å; A452-V454 HydrophobicContact CB-CG1 3.94Å; A452-V454 PolarHBondContact O-N 3.17Å
453	A	91.6	Very high	92	Very high	1 Å²	1	46 Å²	46	1%	0.008	22%	0.22	C	C	.	.	S	Bend	trans	-72.5	64.7	171.3	0	0	0	0	0	112.1	N142 Q143 L370 W371	N142-A453 HydrophobicContact CB-CB 3.73Å; Q143-A453 HydrophobicContact CG-CB 4.01Å; L370-A453 WeakPolarHBondContact CB-O 3.38Å; L370-A453 HydrophobicContact CD2-CB 4.19Å; W371-A453 PolarHBondContact N-O 2.86Å
454	V	92.5	Very high	92.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-105.2	150.1	178.5	-60.6	0	0	0	0	111.3	S146 L358 W371 F449 A452 M458 K459	S146-V454 PolarHBondContact OG-O 3Å; L358-V454 HydrophobicContact CD1-CG1 3.79Å; W371-V454 HydrophobicContact CB-CG1 3.94Å; W371-V454 WeakPolarHBondContact O-CA 3.38Å; W371-V454 WeakPolarHBondContact O-CG1 3.32Å; F449-V454 HydrophobicContact CD2-CG1 4.31Å; F449-V454 HydrophobicContact CE2-CB 4.44Å; F449-V454 HydrophobicContact CE2-CG1 3.99Å; F449-V454 HydrophobicContact CE2-CG2 4.26Å; F449-V454 HydrophobicContact CZ-CG2 4.13Å; A452-V454 HydrophobicContact CB-CG1 3.94Å; A452-V454 PolarHBondContact O-N 3.17Å; V454-M458 HydrophobicContact CB-CB 4.19Å; V454-K459 HydrophobicContact CG2-CD 4.24Å; V454-K459 HydrophobicContact CG2-CG 3.75Å
455	S	92.4	Very high	92.3	Very high	5 Å²	5	46 Å²	46	4%	0.035	22%	0.222	C	C	.	.			trans	-70.7	159.4	177.6	79.3	0	0	0	0	112.4	A457 M458 K459	S455-A457 PolarHBondContact O-N 2.99Å; S455-A457 WeakPolarHBondContact OG-CB 3.25Å; S455-A457 PolarHBondContact OG-N 3.13Å; S455-M458 PolarHBondContact O-N 3.1Å; S455-M458 VanDerWaalsContact O-N 3.07Å; S455-M458 PolarHBondContact OG-N 3.19Å; S455-K459 PolarHBondContact O-N 2.79Å; S455-K459 VanDerWaalsContact O-N 3.08Å
456	T	91.8	Very high	92.3	Very high	67 Å²	67	47.2 Å²	47.2	41%	0.411	23%	0.225	S	C	.	.	H	α-helix	trans	-65	-19.7	172.7	48.5	0	0	0	0	112.7	H413 K460	H413-T456 PolarHBondContact CE1-OG1 3.41Å; H413-T456 VanDerWaalsContact CE1-OG1 3.25Å; T456-K460 WeakPolarHBondContact O-CG 3.37Å; T456-K460 PolarHBondContact O-N 2.95Å
457	A	93.9	Very high	92.3	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-67.2	-48.2	168	0	0	0	0	0	111.2	H413 Y422 S455 K459 K460 V461	H413-A457 HydrophobicContact CB-CB 3.9Å; Y422-A457 HydrophobicContact CD2-CB 4.4Å; Y422-A457 HydrophobicContact CE2-CB 3.61Å; S455-A457 PolarHBondContact O-N 2.99Å; S455-A457 WeakPolarHBondContact OG-CB 3.25Å; S455-A457 PolarHBondContact OG-N 3.13Å; A457-K459 VanDerWaalsContact C-N 3.3Å; A457-K459 PolarHBondContact O-N 3.01Å; A457-K460 WeakPolarHBondContact O-CA 3.34Å; A457-K460 WeakPolarHBondContact O-CB 3.32Å; A457-K460 PolarHBondContact O-N 2.88Å; A457-V461 WeakPolarHBondContact O-CG2 3.34Å; A457-V461 PolarHBondContact O-N 2.81Å
458	M	95.5	Very high	92.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-63.7	-35.5	178.8	-64.2	-61.5	146.9	0	0	112.1	E372 F373 Y422 V454 S455 K460 V461 F462	E372-M458 HydrophobicContact CB-CE 3.81Å; E372-M458 HydrophobicContact CB-CG 3.79Å; E372-M458 HydrophobicContact CB-SD 3.74Å; F373-M458 HydrophobicContact CB-SD 4.29Å; F373-M458 HydrophobicContact CD2-SD 3.74Å; F373-M458 HydrophobicContact CE2-CB 4.49Å; F373-M458 HydrophobicContact CG-SD 4.44Å; Y422-M458 HydrophobicContact CD1-CE 4.27Å; Y422-M458 HydrophobicContact CE1-CE 3.48Å; Y422-M458 VanDerWaalsContact CE1-CE 3.48Å; V454-M458 HydrophobicContact CB-CB 4.19Å; S455-M458 PolarHBondContact O-N 3.1Å; S455-M458 VanDerWaalsContact O-N 3.07Å; S455-M458 PolarHBondContact OG-N 3.19Å; M458-K460 VanDerWaalsContact C-N 3.28Å; M458-K460 PolarHBondContact O-N 2.87Å; M458-V461 PolarHBondContact O-N 3.38Å; M458-F462 WeakPolarHBondContact O-CB 3.33Å; M458-F462 PolarHBondContact O-N 3.17Å
459	K	94	Very high	92	Very high	73 Å²	73	41.9 Å²	41.9	32%	0.317	21%	0.205	S	C	.	.	H	α-helix	trans	-63.8	-28.9	171.3	-61.1	-167.1	-178.5	-162.2	0	113.3	C450 V454 S455 A457 R463	C450-K459 PolarHBondContact O-NZ 3.34Å; C450-K459 VanDerWaalsContact O-NZ 3.1Å; V454-K459 HydrophobicContact CG2-CD 4.24Å; V454-K459 HydrophobicContact CG2-CG 3.75Å; S455-K459 PolarHBondContact O-N 2.79Å; S455-K459 VanDerWaalsContact O-N 3.08Å; A457-K459 VanDerWaalsContact C-N 3.3Å; A457-K459 PolarHBondContact O-N 3.01Å; K459-R463 PolarHBondContact O-N 2.68Å
460	K	95.3	Very high	91.4	Very high	96 Å²	96	46.2 Å²	46.2	42%	0.417	23%	0.225	S	C	.	.	H	α-helix	trans	-75.1	-43.7	171.3	-69.1	179.3	-176.9	-168.8	0	112	V411 I412 T456 A457 M458 F462 R463 M464	V411-K460 HydrophobicContact CG1-CB 3.63Å; V411-K460 HydrophobicContact CG1-CD 3.88Å; V411-K460 HydrophobicContact CG1-CG 4.46Å; I412-K460 PolarHBondContact O-NZ 2.89Å; T456-K460 WeakPolarHBondContact O-CG 3.37Å; T456-K460 PolarHBondContact O-N 2.95Å; A457-K460 WeakPolarHBondContact O-CA 3.34Å; A457-K460 WeakPolarHBondContact O-CB 3.32Å; A457-K460 PolarHBondContact O-N 2.88Å; M458-K460 VanDerWaalsContact C-N 3.28Å; M458-K460 PolarHBondContact O-N 2.87Å; K460-F462 VanDerWaalsContact C-N 3.32Å; K460-F462 PolarHBondContact O-N 3.17Å; K460-R463 PolarHBondContact O-N 3.25Å; K460-M464 PolarHBondContact O-N 3.34Å
461	V	96.8	Very high	90.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-57.3	-46.3	176.4	171.5	0	0	0	0	110.6	T342 V344 F373 V411 V424 A457 M458 M464 Y465	T342-V461 HydrophobicContact CG2-CG1 3.98Å; T342-V461 HydrophobicContact CG2-CG2 4.12Å; V344-V461 HydrophobicContact CG2-CG1 3.98Å; F373-V461 HydrophobicContact CD2-CB 4.27Å; F373-V461 HydrophobicContact CD2-CG1 3.73Å; F373-V461 HydrophobicContact CE2-CB 4.39Å; F373-V461 HydrophobicContact CE2-CG1 4.08Å; V411-V461 HydrophobicContact CB-CG2 4.18Å; V411-V461 HydrophobicContact CG1-CG2 4.21Å; V411-V461 HydrophobicContact CG2-CG2 4.24Å; V424-V461 HydrophobicContact CG1-CG1 3.87Å; V424-V461 HydrophobicContact CG2-CB 4.48Å; V424-V461 HydrophobicContact CG2-CG1 4.11Å; V424-V461 HydrophobicContact CG2-CG2 4.01Å; A457-V461 WeakPolarHBondContact O-CG2 3.34Å; A457-V461 PolarHBondContact O-N 2.81Å; M458-V461 PolarHBondContact O-N 3.38Å; V461-M464 PolarHBondContact O-N 3.02Å; V461-Y465 PolarHBondContact O-N 3.04Å
462	F	95.8	Very high	89.2	Confident	5 Å²	5	44.7 Å²	44.7	2%	0.022	23%	0.227	C	C	.	.	H	α-helix	trans	-63.6	-42.2	177.4	-171.6	-113.4	0	0	0	112.8	V356 F373 W446 F449 M458 K460 M464 Y465 E466	V356-F462 HydrophobicContact CG1-CE2 4.15Å; F373-F462 HydrophobicContact CE1-CD2 4.44Å; F373-F462 HydrophobicContact CE2-CB 3.9Å; F373-F462 HydrophobicContact CE2-CD2 4.44Å; F373-F462 HydrophobicContact CZ-CB 3.9Å; F373-F462 AromaticContact CZ-CD2 3.64Å; F373-F462 HydrophobicContact CZ-CD2 3.64Å; F373-F462 HydrophobicContact CZ-CG 4.14Å; W446-F462 HydrophobicContact CB-CZ 4.02Å; W446-F462 AromaticContact CD1-CZ 3.86Å; W446-F462 HydrophobicContact CD2-CE1 4.49Å; W446-F462 HydrophobicContact CD2-CE2 4.45Å; W446-F462 AromaticContact CD2-CZ 3.63Å; W446-F462 HydrophobicContact CD2-CZ 3.63Å; W446-F462 AromaticContact CE2-CZ 3.95Å; W446-F462 HydrophobicContact CE3-CZ 4.09Å; W446-F462 HydrophobicContact CG-CE1 4.49Å; W446-F462 HydrophobicContact CG-CE2 4.42Å; W446-F462 AromaticContact CG-CZ 3.59Å; W446-F462 HydrophobicContact CG-CZ 3.59Å; F449-F462 HydrophobicContact CD1-CB 4.35Å; F449-F462 AromaticContact CD1-CD1 3.57Å; F449-F462 HydrophobicContact CD1-CD1 3.57Å; F449-F462 HydrophobicContact CD1-CD2 4.36Å; F449-F462 AromaticContact CD1-CE1 3.86Å; F449-F462 HydrophobicContact CD1-CE1 3.86Å; F449-F462 AromaticContact CD1-CG 3.83Å; F449-F462 HydrophobicContact CD1-CG 3.83Å; F449-F462 HydrophobicContact CD1-CZ 4.37Å; F449-F462 HydrophobicContact CE1-CB 3.47Å; F449-F462 VanDerWaalsContact CE1-CB 3.47Å; F449-F462 AromaticContact CE1-CD1 3.4Å; F449-F462 HydrophobicContact CE1-CD1 3.4Å; F449-F462 HydrophobicContact CE1-CD2 4.26Å; F449-F462 HydrophobicContact CE1-CE1 4.18Å; F449-F462 AromaticContact CE1-CG 3.43Å; F449-F462 HydrophobicContact CE1-CG 3.43Å; F449-F462 VanDerWaalsContact CE1-CG 3.43Å; F449-F462 HydrophobicContact CE2-CB 4.36Å; F449-F462 HydrophobicContact CZ-CB 3.49Å; F449-F462 VanDerWaalsContact CZ-CB 3.49Å; F449-F462 HydrophobicContact CZ-CD1 4.27Å; F449-F462 HydrophobicContact CZ-CD2 4.48Å; F449-F462 AromaticContact CZ-CG 3.84Å; F449-F462 HydrophobicContact CZ-CG 3.84Å; M458-F462 WeakPolarHBondContact O-CB 3.33Å; M458-F462 PolarHBondContact O-N 3.17Å; K460-F462 VanDerWaalsContact C-N 3.32Å; K460-F462 PolarHBondContact O-N 3.17Å; F462-M464 PolarHBondContact O-N 3Å; F462-Y465 HydrophobicContact CD2-CD1 4.33Å; F462-Y465 HydrophobicContact CE2-CD1 4.21Å; F462-Y465 WeakPolarHBondContact O-CA 3.49Å; F462-Y465 WeakPolarHBondContact O-CB 3.24Å; F462-Y465 PolarHBondContact O-N 3.45Å; F462-Y465 VanDerWaalsContact O-N 3.09Å; F462-E466 HydrophobicContact CD1-CG 4.09Å; F462-E466 HydrophobicContact CE1-CG 3.77Å; F462-E466 WeakPolarHBondContact CE1-OE1 3.38Å; F462-E466 HydrophobicContact CZ-CG 4.02Å; F462-E466 PolarHBondContact O-N 2.77Å
463	R	94.4	Very high	87.3	Confident	148 Å²	148	52.5 Å²	52.5	56%	0.558	26%	0.256	S	S	*	.	H	α-helix	trans	-60.4	-43.6	176.4	-173	-179.1	-60.5	155.7	2	112.5	K459 K460 Y465 E466 D467	K459-R463 PolarHBondContact O-N 2.68Å; K460-R463 PolarHBondContact O-N 3.25Å; R463-Y465 PolarHBondContact O-N 3.32Å; R463-E466 PolarHBondContact O-N 3.2Å; R463-D467 WeakPolarHBondContact O-CB 3.39Å; R463-D467 VanDerWaalsContact O-CG 3.32Å; R463-D467 PolarHBondContact O-N 2.94Å
464	M	94.9	Very high	84.7	Confident	49 Å²	49	61.1 Å²	61.1	24%	0.241	29%	0.293	C	S	.	.	H	α-helix	trans	-57.4	-40.1	174.2	172.9	-179.7	-80.7	0	0	111.6	L408 E410 V411 V424 K460 V461 F462 H468	L408-M464 HydrophobicContact CB-CG 4.28Å; L408-M464 HydrophobicContact CB-SD 4.08Å; E410-M464 WeakPolarHBondContact O-CE 3.43Å; V411-M464 HydrophobicContact CG2-CE 3.74Å; V411-M464 HydrophobicContact CG2-SD 4.02Å; V424-M464 HydrophobicContact CB-SD 3.74Å; V424-M464 HydrophobicContact CG1-SD 4.07Å; V424-M464 HydrophobicContact CG2-SD 3.84Å; K460-M464 PolarHBondContact O-N 3.34Å; V461-M464 PolarHBondContact O-N 3.02Å; F462-M464 PolarHBondContact O-N 3Å; M464-H468 WeakPolarHBondContact O-CB 3.46Å; M464-H468 PolarHBondContact O-N 3.36Å; M464-H468 VanDerWaalsContact O-N 3.13Å
465	Y	94.4	Very high	82	Confident	5 Å²	5	65 Å²	65	2%	0.02	33%	0.334	C	S	.	.	H	α-helix	trans	-66.2	-44.1	174.8	174.9	-106.1	0	0	0	112.8	V344 E346 L408 W446 V461 F462 R463 H468 R469	V344-Y465 HydrophobicContact CB-CD1 4.29Å; V344-Y465 HydrophobicContact CB-CD2 3.97Å; V344-Y465 HydrophobicContact CB-CE2 4.29Å; V344-Y465 HydrophobicContact CB-CG 3.95Å; V344-Y465 HydrophobicContact CG1-CD1 3.6Å; V344-Y465 HydrophobicContact CG1-CD2 4.09Å; V344-Y465 HydrophobicContact CG1-CE1 3.67Å; V344-Y465 HydrophobicContact CG1-CE2 4.17Å; V344-Y465 HydrophobicContact CG1-CG 3.79Å; V344-Y465 HydrophobicContact CG2-CD2 4.46Å; V344-Y465 HydrophobicContact CG2-CG 4.12Å; E346-Y465 WeakPolarHBondContact CB-OH 3.33Å; E346-Y465 PolarHBondContact OE2-OH 3.39Å; E346-Y465 VanDerWaalsContact OE2-OH 3.12Å; L408-Y465 HydrophobicContact CD1-CD2 4Å; W446-Y465 HydrophobicContact CZ2-CE1 4.25Å; V461-Y465 PolarHBondContact O-N 3.04Å; F462-Y465 HydrophobicContact CD2-CD1 4.33Å; F462-Y465 HydrophobicContact CE2-CD1 4.21Å; F462-Y465 WeakPolarHBondContact O-CA 3.49Å; F462-Y465 WeakPolarHBondContact O-CB 3.24Å; F462-Y465 PolarHBondContact O-N 3.45Å; F462-Y465 VanDerWaalsContact O-N 3.09Å; R463-Y465 PolarHBondContact O-N 3.32Å; Y465-H468 PolarHBondContact O-N 2.83Å; Y465-R469 VanDerWaalsContact CE1-CD 3.42Å; Y465-R469 HydrophobicContact CE1-CG 4.33Å; Y465-R469 HydrophobicContact CE2-CG 4.27Å; Y465-R469 WeakPolarHBondContact O-CG 3.44Å; Y465-R469 PolarHBondContact O-N 3.28Å; Y465-R469 PolarHBondContact OH-NH1 3.42Å
466	E	92	Very high	79.3	Confident	50 Å²	50	69.2 Å²	69.2	23%	0.234	36%	0.363	C	S	.	.	H	α-helix	trans	-60	-46.7	174.8	-69.5	-176.7	124.8	0	0	112	W446 F462 R463 H468 R469 Q470	W446-E466 HydrophobicContact CE3-CG 4.39Å; W446-E466 HydrophobicContact CH2-CG 4.25Å; W446-E466 HydrophobicContact CZ3-CG 3.94Å; F462-E466 HydrophobicContact CD1-CG 4.09Å; F462-E466 HydrophobicContact CE1-CG 3.77Å; F462-E466 WeakPolarHBondContact CE1-OE1 3.38Å; F462-E466 HydrophobicContact CZ-CG 4.02Å; F462-E466 PolarHBondContact O-N 2.77Å; R463-E466 PolarHBondContact O-N 3.2Å; E466-H468 VanDerWaalsContact C-N 3.33Å; E466-H468 PolarHBondContact O-N 3.47Å; E466-R469 PolarHBondContact O-N 3.02Å; E466-Q470 WeakPolarHBondContact O-CG 3.47Å; E466-Q470 PolarHBondContact O-N 3.48Å
467	D	90.6	Very high	76.6	Confident	96 Å²	96	75.5 Å²	75.5	51%	0.513	39%	0.385	S	S	.	.	H	α-helix	trans	-60.2	-42.5	179.4	-71.6	-31	0	0	0	111.1	R463 Q470 G471	R463-D467 WeakPolarHBondContact O-CB 3.39Å; R463-D467 VanDerWaalsContact O-CG 3.32Å; R463-D467 PolarHBondContact O-N 2.94Å; D467-Q470 PolarHBondContact O-N 3.36Å; D467-G471 PolarHBondContact O-N 3.15Å
468	H	89.7	Confident	73.5	Confident	59 Å²	59	87.9 Å²	87.9	27%	0.273	43%	0.431	S	S	.	.	H	α-helix	trans	-66	-39.9	176.1	-172.3	76.7	0	0	0	113	Q406 L408 M464 Y465 E466 Q470 G471 T472	Q406-H468 VanDerWaalsContact CD-NE2 3.3Å; Q406-H468 PolarHBondContact NE2-NE2 3.15Å; Q406-H468 PolarHBondContact OE1-NE2 3.12Å; L408-H468 HydrophobicContact CD2-CB 4.43Å; L408-H468 VanDerWaalsContact CD2-CD2 3.42Å; L408-H468 WeakPolarHBondContact CD2-CD2 3.12Å; L408-H468 WeakPolarHBondContact CD2-NE2 3.34Å; M464-H468 WeakPolarHBondContact O-CB 3.46Å; M464-H468 PolarHBondContact O-N 3.36Å; M464-H468 VanDerWaalsContact O-N 3.13Å; Y465-H468 PolarHBondContact O-N 2.83Å; E466-H468 VanDerWaalsContact C-N 3.33Å; E466-H468 PolarHBondContact O-N 3.47Å; H468-Q470 VanDerWaalsContact C-N 3.32Å; H468-Q470 PolarHBondContact O-N 2.89Å; H468-G471 PolarHBondContact O-N 3.38Å; H468-T472 PolarHBondContact O-N 2.99Å; H468-T472 PolarHBondContact O-OG1 3.4Å
469	R	83.5	Confident	70.8	Confident	40 Å²	40	93.1 Å²	93.1	15%	0.151	47%	0.468	C	S	.	.	H	α-helix	trans	-64.7	-34.1	172.7	-74.1	-177.3	75.2	90.6	-16.3	112.9	E346 Y465 E466 T472 R473	E346-R469 IonicContact OE1-CZ 3.42Å; E346-R469 IonicContact OE1-NH1 3.02Å; E346-R469 PolarHBondContact OE1-NH1 2.88Å; E346-R469 IonicContact OE1-NH2 2.7Å; E346-R469 PolarHBondContact OE1-NH2 3.3Å; E346-R469 IonicContact OE2-CZ 3.16Å; E346-R469 IonicContact OE2-NE 2.94Å; E346-R469 PolarHBondContact OE2-NE 3.46Å; E346-R469 IonicContact OE2-NH1 2.95Å; E346-R469 PolarHBondContact OE2-NH1 3.02Å; E346-R469 VanDerWaalsContact OE2-NH1 3.16Å; E346-R469 IonicContact OE2-NH2 3.23Å; E346-R469 PolarHBondContact OE2-NH2 2.99Å; Y465-R469 VanDerWaalsContact CE1-CD 3.42Å; Y465-R469 HydrophobicContact CE1-CG 4.33Å; Y465-R469 HydrophobicContact CE2-CG 4.27Å; Y465-R469 WeakPolarHBondContact O-CG 3.44Å; Y465-R469 PolarHBondContact O-N 3.28Å; Y465-R469 PolarHBondContact OH-NH1 3.42Å; E466-R469 PolarHBondContact O-N 3.02Å; R469-T472 WeakPolarHBondContact CA-OG1 3.43Å; R469-T472 PolarHBondContact O-OG1 2.96Å; R469-T472 VanDerWaalsContact O-OG1 3.09Å; R469-R473 WeakPolarHBondContact O-CB 3.38Å; R469-R473 VanDerWaalsContact O-CG 3.28Å; R469-R473 WeakPolarHBondContact O-CG 3.41Å; R469-R473 PolarHBondContact O-N 3.43Å
470	Q	78.7	Confident	68.2	Low	94 Å²	94	99 Å²	99	44%	0.439	50%	0.497	S	S	.	.	H	α-helix	trans	-76.2	-37.4	176.3	-70.4	-175.6	41.3	0	0	111.8	E466 D467 H468 R473 K474	E466-Q470 WeakPolarHBondContact O-CG 3.47Å; E466-Q470 PolarHBondContact O-N 3.48Å; D467-Q470 PolarHBondContact O-N 3.36Å; H468-Q470 VanDerWaalsContact C-N 3.32Å; H468-Q470 PolarHBondContact O-N 2.89Å; Q470-R473 PolarHBondContact O-N 3.09Å; Q470-K474 PolarHBondContact O-N 2.71Å
471	G	67.9	Low	65.3	Low	49 Å²	49	100 Å²	100	51%	0.505	51%	0.511	S	S	.	.	H	α-helix	trans	-58.4	-46.9	172.9	0	0	0	0	0	112.3	D467 H468 R473	D467-G471 PolarHBondContact O-N 3.15Å; H468-G471 PolarHBondContact O-N 3.38Å; G471-R473 PolarHBondContact O-N 3.15Å
472	T	59.2	Low	62.4	Low	98 Å²	98	105.6 Å²	105.6	60%	0.601	55%	0.549	S	S	*	.	H	α-helix	trans	-69	-27.6	177.1	47.3	0	0	0	0	113.9	H468 R469	H468-T472 PolarHBondContact O-N 2.99Å; H468-T472 PolarHBondContact O-OG1 3.4Å; R469-T472 WeakPolarHBondContact CA-OG1 3.43Å; R469-T472 PolarHBondContact O-OG1 2.96Å; R469-T472 VanDerWaalsContact O-OG1 3.09Å
473	R	49	Very low	59.4	Low	167 Å²	167	110 Å²	110	63%	0.63	58%	0.578	S	S	*	*	H	α-helix	trans	-84.3	-6.4	178.7	-77.3	-179.2	176.8	-168	-0.8	115.8	R469 Q470 G471 G475 S476	R469-R473 WeakPolarHBondContact O-CB 3.38Å; R469-R473 VanDerWaalsContact O-CG 3.28Å; R469-R473 WeakPolarHBondContact O-CG 3.41Å; R469-R473 PolarHBondContact O-N 3.43Å; Q470-R473 PolarHBondContact O-N 3.09Å; G471-R473 PolarHBondContact O-N 3.15Å; R473-G475 PolarHBondContact O-N 2.82Å; R473-S476 PolarHBondContact O-N 2.84Å
474	K	37.7	Very low	56.5	Low	182 Å²	182	108 Å²	108	79%	0.791	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	6.3	-175.3	-89.9	175.7	-178.6	173.9	0	116.3	Q470	Q470-K474 PolarHBondContact O-N 2.71Å
475	G	34.4	Very low	53.7	Low	83 Å²	83	111 Å²	111	86%	0.856	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-11.8	163.3	0	0	0	0	0	115.6	R473	R473-G475 PolarHBondContact O-N 2.82Å
476	S	36.2	Very low	50.9	Low	92 Å²	92	116.1 Å²	116.1	64%	0.643	65%	0.646	S	S	*	*	S	Bend	trans	-150.7	120.1	178.5	-165.3	0	0	0	0	114.7	R473	R473-S476 PolarHBondContact O-N 2.84Å
477	K	34.8	Very low	48	Very low	200 Å²	200	124.6 Å²	124.6	87%	0.87	68%	0.676	S	S	*	*			trans	40.5	118	160.3	-64.5	-177.5	178.8	177.5	0	119.5	S479	K477-S479 PolarHBondContact O-N 3.27Å
478	R	28.7	Very low	45.2	Very low	259 Å²	259	129.4 Å²	129.4	98%	0.977	69%	0.692	S	S	*	*			trans	-47.3	128.9	163.4	-81.4	172.2	158.5	167.3	-6.6	112.9
479	S	39.2	Very low	42.4	Very low	111 Å²	111	136 Å²	136	78%	0.776	72%	0.72	S	S	*	*			trans	-153.7	139.7	143.7	60.2	0	0	0	0	113.5	K477	K477-S479 PolarHBondContact O-N 3.27Å
480	Q	39.2	Very low	39.7	Very low	195 Å²	195	140.4 Å²	140.4	91%	0.911	75%	0.754	S	S	*	*			trans	34.5	105.7	158.1	-66.1	178.7	-12.8	0	0	120.8
481	V	35.4	Very low	37.4	Very low	117 Å²	117	141 Å²	141	71%	0.709	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-88	136.6	151.6	173.6	0	0	0	0	108.4
482	C	34.3	Very low	35.4	Very low	118 Å²	118	146.6 Å²	146.6	80%	0.797	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-57.5	123.8	172.8	-68.7	0	0	0	0	110.5
483	P	33.3	Very low	33.9	Very low	98 Å²	98	144.8 Å²	144.8	64%	0.636	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-68.8	146.5	174.4	30.1	-33.8	0	0	0	109.6	S485	P483-S485 PolarHBondContact O-N 3.42Å
484	P	33.9	Very low	32.8	Very low	105 Å²	105	146.8 Å²	146.8	68%	0.682	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-60.6	129.9	167	25	-30.5	0	0	0	108.4	S486	P484-S486 PolarHBondContact O-N 3.11Å
485	S	36.3	Very low	32.3	Very low	112 Å²	112	144.3 Å²	144.3	78%	0.783	79%	0.794	S	S	*	*	S	Bend	trans	-60.5	139.4	172.6	59.3	0	0	0	0	109.1	P483	P483-S485 PolarHBondContact O-N 3.42Å
486	S	35.3	Very low	32.1	Very low	113 Å²	113	145.6 Å²	145.6	79%	0.79	79%	0.785	S	S	*	*			trans	64	80.6	-169.5	73.4	0	0	0	0	116.3	P484 K488	P484-S486 PolarHBondContact O-N 3.11Å; S486-K488 VanDerWaalsContact C-N 3.31Å; S486-K488 PolarHBondContact O-N 2.93Å
487	R	30.7	Very low	31.8	Very low	229 Å²	229	148.4 Å²	148.4	86%	0.864	79%	0.792	S	S	*	*			trans	-66.5	90.5	149	-78.6	-176.3	176.1	176.9	-0.5	109.9
488	K	33	Very low	31.6	Very low	196 Å²	196	144.1 Å²	144.1	85%	0.852	78%	0.779	S	S	*	*			trans	-91.1	141.3	139	-78.9	-176.1	176	178.5	0	107.4	S486	S486-K488 VanDerWaalsContact C-N 3.31Å; S486-K488 PolarHBondContact O-N 2.93Å
489	K	29.2	Very low	31.8	Very low	198 Å²	198	135.8 Å²	135.8	86%	0.861	76%	0.757	S	S	*	*			trans	-56.3	141.4	-173	-69.4	174.7	176.2	176	0	110.6	S491	K489-S491 VanDerWaalsContact C-N 3.34Å; K489-S491 PolarHBondContact O-N 3.48Å
490	P	27.7	Very low	31.6	Very low	133 Å²	133	139.5 Å²	139.5	86%	0.864	76%	0.76	S	S	*	*			trans	-69.5	95.3	165	30.1	-32	0	0	0	108.4
491	S	30.2	Very low	31.5	Very low	105 Å²	105	135.5 Å²	135.5	73%	0.734	74%	0.739	S	S	*	*			trans	-66.5	141	162.2	49.9	0	0	0	0	109	K489 G493	K489-S491 VanDerWaalsContact C-N 3.34Å; K489-S491 PolarHBondContact O-N 3.48Å; S491-G493 PolarHBondContact O-N 3.43Å
492	L	26.8	Very low	31.4	Very low	167 Å²	167	137.7 Å²	137.7	87%	0.874	74%	0.742	S	S	*	*	S	Bend	trans	-49.3	130.5	179.8	-69.4	72	0	0	0	110.3
493	G	27	Very low	31.5	Very low	60 Å²	60	140.5 Å²	140.5	62%	0.619	74%	0.736	S	S	*	*			trans	-178.7	10.2	-174.2	0	0	0	0	0	118.5	S491 Q495	S491-G493 PolarHBondContact O-N 3.43Å; G493-Q495 PolarHBondContact O-N 2.97Å
494	Q	26.7	Very low	31.5	Very low	209 Å²	209	145 Å²	145	98%	0.977	75%	0.748	S	S	*	*			trans	-82.6	59.6	163.9	-155.9	159.5	8.7	0	0	109
495	Q	26	Very low	31.7	Very low	130 Å²	130	146.5 Å²	146.5	61%	0.607	75%	0.749	S	S	*	*			trans	-119.2	150.7	-179	-76.1	-176.2	-21.8	0	0	110.2	G493	G493-Q495 PolarHBondContact O-N 2.97Å
496	V	29.7	Very low	31.8	Very low	110 Å²	110	146.5 Å²	146.5	67%	0.667	75%	0.746	S	S	*	*			trans	-55.1	155.3	-179.9	-179.3	0	0	0	0	111	D498	V496-D498 PolarHBondContact O-N 2.81Å
497	L	30.2	Very low	32	Very low	151 Å²	151	147 Å²	147	79%	0.791	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.4	10.2	-176.7	-85.5	159.7	0	0	0	117.5
498	D	31.1	Very low	32.4	Very low	110 Å²	110	143.4 Å²	143.4	59%	0.588	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	-22.4	-175.3	-61.4	-41.5	0	0	0	113.4	V496 F500	V496-D498 PolarHBondContact O-N 2.81Å; D498-F500 PolarHBondContact O-N 2.7Å
499	T	33.9	Very low	32.8	Very low	84 Å²	84	142.6 Å²	142.6	52%	0.515	74%	0.739	S	S	.	*	T	Hydrogen-bonded Turn	trans	-84.7	-1	-174.6	42.4	0	0	0	0	115.9
500	F	33.9	Very low	33.3	Very low	190 Å²	190	139.1 Å²	139.1	83%	0.833	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	-0.9	177.3	-143.9	-93	0	0	0	113.9	D498	D498-F500 PolarHBondContact O-N 2.7Å
501	F	38	Very low	34	Very low	110 Å²	110	140.1 Å²	140.1	48%	0.482	74%	0.735	S	S	.	*			trans	-112.2	5.6	-174.8	-72.6	-70.5	0	0	0	115	T259 R503	T259-F501 HydrophobicContact CG2-CE1 4.32Å; T259-F501 HydrophobicContact CG2-CZ 4.13Å; F501-R503 PolarHBondContact O-N 2.74Å
502	Q	33.2	Very low	34.3	Very low	164 Å²	164	140.7 Å²	140.7	77%	0.766	74%	0.739	S	S	*	*			trans	-82.1	99.7	176.6	-74.4	-176.5	-25	0	0	111.1	H504	Q502-H504 PolarHBondContact O-N 2.75Å
503	R	35.5	Very low	35.1	Very low	177 Å²	177	138.7 Å²	138.7	67%	0.668	73%	0.734	S	S	*	*			trans	-58.4	131.1	162.2	-70.7	179.8	175.8	179.3	-5.4	109.1	E78 F501 I505	E78-R503 IonicContact OE1-CZ 3.49Å; E78-R503 IonicContact OE1-NH2 3.34Å; E78-R503 PolarHBondContact OE1-NH2 3.32Å; E78-R503 IonicContact OE2-CZ 2.92Å; E78-R503 IonicContact OE2-NE 3.05Å; E78-R503 IonicContact OE2-NH2 2.74Å; E78-R503 PolarHBondContact OE2-NH2 2.86Å; F501-R503 PolarHBondContact O-N 2.74Å; R503-I505 PolarHBondContact O-N 3.39Å; R503-I505 VanDerWaalsContact O-N 3.08Å
504	H	34.1	Very low	35.8	Very low	191 Å²	191	142 Å²	142	88%	0.884	74%	0.742	S	S	*	*			trans	-64.4	107.6	163.6	-86.4	-77.7	0	0	0	109	Q502	Q502-H504 PolarHBondContact O-N 2.75Å
505	I	38.4	Very low	36.4	Very low	138 Å²	138	145 Å²	145	71%	0.708	76%	0.756	S	S	*	*			trans	-85.9	121.5	162.2	-61.2	174.4	0	0	0	106.6	R503 T507	R503-I505 PolarHBondContact O-N 3.39Å; R503-I505 VanDerWaalsContact O-N 3.08Å; I505-T507 PolarHBondContact O-N 2.9Å
506	P	37.5	Very low	36.9	Very low	112 Å²	112	145.7 Å²	145.7	73%	0.727	76%	0.763	S	S	*	*			trans	-67.3	114.5	169.4	-14	28.9	0	0	0	108.8	D508	P506-D508 PolarHBondContact O-N 3.23Å
507	T	39.5	Very low	37.3	Very low	122 Å²	122	147.6 Å²	147.6	75%	0.748	77%	0.768	S	S	*	*			trans	-90.3	88.7	170.3	54.7	0	0	0	0	109.3	I505 K509	I505-T507 PolarHBondContact O-N 2.9Å; T507-K509 PolarHBondContact O-N 2.9Å
508	D	39.8	Very low	37.7	Very low	155 Å²	155	147.4 Å²	147.4	83%	0.829	77%	0.767	S	S	*	*			trans	-63.8	121.7	161.8	-79	-40.8	0	0	0	109	P506	P506-D508 PolarHBondContact O-N 3.23Å
509	K	40.3	Very low	38.1	Very low	178 Å²	178	149.6 Å²	149.6	77%	0.774	78%	0.778	S	S	*	*			trans	-89.1	127.7	171.2	-75.8	-176.2	175	-177.5	0	109.1	T507 N511	T507-K509 PolarHBondContact O-N 2.9Å; K509-N511 PolarHBondContact O-N 2.85Å
510	P	40.3	Very low	38.4	Very low	126 Å²	126	153.7 Å²	153.7	82%	0.818	79%	0.794	S	S	*	*			trans	-73.6	113.1	161	30.3	-29.8	0	0	0	108.5	S512	P510-S512 PolarHBondContact O-N 2.82Å
511	N	42.7	Very low	38.7	Very low	154 Å²	154	151.3 Å²	151.3	82%	0.824	79%	0.792	S	S	*	*			trans	-76.6	120.2	166.3	-97.4	-2.3	0	0	0	109	K509	K509-N511 PolarHBondContact O-N 2.85Å
512	S	35.4	Very low	38.7	Very low	117 Å²	117	154.2 Å²	154.2	82%	0.818	81%	0.814	S	S	*	*			trans	-76.5	122.1	170.9	53.1	0	0	0	0	111.2	P510	P510-S512 PolarHBondContact O-N 2.82Å
513	T	44.2	Very low	39.1	Very low	124 Å²	124	153.5 Å²	153.5	76%	0.761	82%	0.817	S	S	*	*			trans	-145	111.9	154.7	-43.1	0	0	0	0	111.1
514	T	40.9	Very low	39.4	Very low	131 Å²	131	151.5 Å²	151.5	80%	0.804	83%	0.83	S	S	*	*			trans	-11.9	114.9	152.1	19	0	0	0	0	117.8
515	Q	40.3	Very low	39.9	Very low	270 Å²	270	147.9 Å²	147.9	100%	1.262	83%	0.825	S	S	*	*				-158.7	0	103.1	-102.8	-177.6	8.4	0	0	110.6

Retrieved 515 of 515 residues in 929.4 ms (Link to these results)

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