A0A087XNT3_POEFO Loading...

Isobutyryl-CoA dehydrogenase, mitochondrial

Isobutyryl-CoA dehydrogenase which catalyzes the conversion of 2-methylpropanoyl-CoA to (2E)-2-methylpropenoyl-CoA in the valine catabolic pathway. To a lesser extent, also able to catalyze the oxidation of (2S)-2-methylbutanoyl-CoA.

AlphaFold DB (A0A3B3UUQ7), UniProt , Accession A0A087XNT3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 419 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	35.7	Very low	30.8	Very low	242 Å²	242	145.1 Å²	145.1	100%	1.192	85%	0.849	S	S	*	*				0	94.7	0	-70.6	175.5	-179.3	0	0	106.1
2	A	30.9	Very low	30.5	Very low	105 Å²	105	152.8 Å²	152.8	87%	0.868	85%	0.853	S	S	*	*				62.8	128.9	89.6	0	0	0	0	0	111.5
3	A	30.2	Very low	30.5	Very low	83 Å²	83	154.8 Å²	154.8	69%	0.686	86%	0.86	S	S	*	*			cis	-170	149.9	5.3	0	0	0	0	0	110.3
4	L	30.2	Very low	30.1	Very low	177 Å²	177	149.3 Å²	149.3	93%	0.927	86%	0.855	S	S	*	*			trans	33.9	116.7	131.8	-60	158.2	0	0	0	119.9
5	G	27.9	Very low	29.8	Very low	74 Å²	74	147.7 Å²	147.7	76%	0.763	85%	0.854	S	S	*	*				120.6	175.6	87	0	0	0	0	0	110.9
6	P	40.9	Very low	29.8	Very low	121 Å²	121	148.7 Å²	148.7	79%	0.786	86%	0.856	S	S	*	*			cis	-136.9	161.2	-6.8	41	-22	0	0	0	117.4
7	L	29	Very low	29.9	Very low	162 Å²	162	151.7 Å²	151.7	85%	0.848	86%	0.857	S	S	*	*			trans	26.7	130	140.5	-76.5	145.2	0	0	0	125.3
8	S	27.2	Very low	30	Very low	102 Å²	102	150.2 Å²	150.2	71%	0.713	86%	0.856	S	S	*	*				109	124.3	122.8	77.4	0	0	0	0	121.5
9	R	29.1	Very low	30	Very low	229 Å²	229	154.9 Å²	154.9	86%	0.864	86%	0.858	S	S	*	*			trans	151.9	99.8	132.6	-85	-179.3	-177.4	-156.3	1.3	109.9
10	I	29.1	Very low	29.8	Very low	155 Å²	155	154.4 Å²	154.4	80%	0.795	85%	0.854	S	S	*	*				47.6	106.1	99.9	-57.8	176.2	0	0	0	113.6
11	T	28.4	Very low	29.8	Very low	146 Å²	146	156.4 Å²	156.4	90%	0.896	86%	0.857	S	S	*	*				-157.2	125.8	129.5	5.6	0	0	0	0	110.6
12	R	27.5	Very low	29.4	Very low	237 Å²	237	155.9 Å²	155.9	89%	0.894	84%	0.842	S	S	*	*			trans	-82.8	137.9	177	-70.3	173	174.3	-176.9	-2.4	109.6
13	L	30.3	Very low	29.3	Very low	180 Å²	180	158.2 Å²	158.2	94%	0.942	84%	0.839	S	S	*	*			trans	-162.8	108.1	150.1	-90.9	148	0	0	0	102.7
14	G	25	Very low	29.4	Very low	77 Å²	77	160.6 Å²	160.6	79%	0.794	84%	0.844	S	S	*	*				109	77.6	52.3	0	0	0	0	0	107.8
15	C	25.8	Very low	29.3	Very low	125 Å²	125	161.2 Å²	161.2	85%	0.845	84%	0.84	S	S	*	*			trans	-143.7	85.7	163.3	-158.2	0	0	0	0	108.9	F17	C15-F17 PolarHBondContact O-N 3.08Å
16	N	29.7	Very low	29.3	Very low	164 Å²	164	165.1 Å²	165.1	88%	0.877	84%	0.844	S	S	*	*			trans	-84.2	96.3	173.1	-86	-23.3	0	0	0	108.6
17	F	31.4	Very low	29.1	Very low	200 Å²	200	170 Å²	170	88%	0.877	85%	0.846	S	S	*	*			trans	-157.3	79.7	156.6	-131.4	-88.3	0	0	0	109.6	C15	C15-F17 PolarHBondContact O-N 3.08Å
18	C	31.4	Very low	29.4	Very low	124 Å²	124	169.9 Å²	169.9	84%	0.838	85%	0.846	S	S	*	*	S	Bend	trans	167.2	92.4	155.9	-96.7	0	0	0	0	109.2
19	R	29.6	Very low	29.8	Very low	240 Å²	240	169.3 Å²	169.3	91%	0.906	84%	0.842	S	S	*	*			trans	165.8	106.1	151.3	-95.1	162.8	-173.8	-158.9	2.4	108.9
20	N	27.5	Very low	30.3	Very low	145 Å²	145	168.4 Å²	168.4	78%	0.775	85%	0.848	S	S	*	*			trans	172.6	87.5	137.6	-90.6	-13.8	0	0	0	110.8
21	H	29.2	Very low	31	Very low	196 Å²	196	169.5 Å²	169.5	91%	0.907	85%	0.847	S	S	*	*			trans	-125.9	75	148	-86.5	-6.5	0	0	0	107.9	L23	H21-L23 PolarHBondContact O-N 2.9Å
22	R	27.8	Very low	31.7	Very low	231 Å²	231	173.8 Å²	173.8	87%	0.872	85%	0.847	S	S	*	*			trans	-72.2	110.8	155.9	-93.8	-177.5	175.9	-173.5	-1.4	106.5	V24	R22-V24 PolarHBondContact O-N 3.36Å
23	L	28.6	Very low	32.5	Very low	154 Å²	154	166.2 Å²	166.2	81%	0.806	84%	0.842	S	S	*	*			trans	-59.1	105.2	165.9	-82.9	153.1	0	0	0	108.4	H21 F25	H21-L23 PolarHBondContact O-N 2.9Å; L23-F25 PolarHBondContact O-N 3.2Å
24	V	30.9	Very low	33.7	Very low	133 Å²	133	165.4 Å²	165.4	81%	0.806	84%	0.837	S	S	*	*			trans	-74.7	103.8	167.7	176.6	0	0	0	0	106.8	R22 N26	R22-V24 PolarHBondContact O-N 3.36Å; V24-N26 PolarHBondContact O-N 2.92Å; V24-N26 VanDerWaalsContact O-N 3.12Å
25	F	29.6	Very low	36.1	Very low	190 Å²	190	165.2 Å²	165.2	83%	0.833	83%	0.829	S	S	*	*			trans	-69.2	102.6	168.3	-92.8	-87.5	0	0	0	108.9	L23 R27	L23-F25 PolarHBondContact O-N 3.2Å; F25-R27 PolarHBondContact O-N 2.94Å
26	N	27.9	Very low	39.2	Very low	157 Å²	157	162.2 Å²	162.2	84%	0.84	81%	0.809	S	S	*	*			trans	-75	110.3	170.4	-155.2	1.8	0	0	0	108.9	V24 N28	V24-N26 PolarHBondContact O-N 2.92Å; V24-N26 VanDerWaalsContact O-N 3.12Å; N26-N28 PolarHBondContact O-N 2.86Å
27	R	36.7	Very low	42.3	Very low	223 Å²	223	159.8 Å²	159.8	84%	0.842	80%	0.804	S	S	*	*			trans	-77.9	104	172.6	-77.4	-178	174.7	-172.6	-1.7	109	F25	F25-R27 PolarHBondContact O-N 2.94Å
28	N	34.9	Very low	45.4	Very low	159 Å²	159	150.8 Å²	150.8	85%	0.85	77%	0.765	S	S	*	*			trans	161.2	93.4	138.7	-89	-14.5	0	0	0	110.9	N26	N26-N28 PolarHBondContact O-N 2.86Å
29	S	35.2	Very low	48.5	Very low	90 Å²	90	147.5 Å²	147.5	63%	0.629	74%	0.738	S	S	*	*			trans	-156.7	113.7	143	66.1	0	0	0	0	107	K31	S29-K31 PolarHBondContact O-N 2.91Å
30	Q	40.5	Very low	51.7	Low	211 Å²	211	136.9 Å²	136.9	99%	0.986	70%	0.701	S	S	*	*			trans	-62.6	84.3	161	-83.8	174.4	-24.8	0	0	107.8
31	K	43.2	Very low	55	Low	177 Å²	177	131.7 Å²	131.7	77%	0.77	68%	0.676	S	S	*	*			trans	-78.3	116.9	162	-78.4	-176.9	178.5	-179	0	105.8	S29 G33	S29-K31 PolarHBondContact O-N 2.91Å; K31-G33 PolarHBondContact O-N 3.04Å
32	R	43.8	Very low	58.1	Low	236 Å²	236	131.1 Å²	131.1	89%	0.891	67%	0.667	S	S	*	*			trans	-43.9	113.9	163.2	-74.9	177.3	173.9	175.2	-2.9	106.8	I34	R32-I34 PolarHBondContact O-N 3.42Å
33	G	43	Very low	61.2	Low	78 Å²	78	123.5 Å²	123.5	80%	0.804	66%	0.66	S	S	*	*			trans	-62.8	101.2	-179.6	0	0	0	0	0	108.3	K31 A35	K31-G33 PolarHBondContact O-N 3.04Å; G33-A35 PolarHBondContact O-N 2.9Å
34	I	55.7	Low	64.5	Low	163 Å²	163	116.8 Å²	116.8	84%	0.836	63%	0.625	S	S	*	*			trans	-72.1	110.4	170.2	-60.5	175.2	0	0	0	104.9	R32	R32-I34 PolarHBondContact O-N 3.42Å
35	A	75.3	Confident	67.7	Low	74 Å²	74	114.1 Å²	114.1	61%	0.612	61%	0.609	S	S	*	*			trans	-54.9	141.6	173	0	0	0	0	0	109.4	G33 C37	G33-A35 PolarHBondContact O-N 2.9Å; A35-C37 PolarHBondContact O-N 2.99Å
36	S	90.9	Very high	71	Confident	62 Å²	62	110.9 Å²	110.9	43%	0.434	60%	0.601	S	S	.	*			trans	-58.8	135.1	178.1	177.2	0	0	0	0	109.9	I38 D39	S36-I38 PolarHBondContact O-N 2.88Å; S36-I38 VanDerWaalsContact O-N 3.1Å; S36-I38 WeakPolarHBondContact OG-CG1 3.25Å; S36-I38 PolarHBondContact OG-N 2.82Å; S36-D39 VanDerWaalsContact O-CB 3.28Å; S36-D39 WeakPolarHBondContact O-CB 3.13Å; S36-D39 PolarHBondContact O-N 3.04Å; S36-D39 VanDerWaalsContact O-N 3.09Å
37	C	94.9	Very high	74.3	Confident	113 Å²	113	109.6 Å²	109.6	76%	0.764	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	-8.9	176.7	60.5	0	0	0	0	113.7	A35 V330	A35-C37 PolarHBondContact O-N 2.99Å; C37-V330 WeakPolarHBondContact O-CG2 3.39Å
38	I	97	Very high	77.3	Confident	11 Å²	11	99.8 Å²	99.8	6%	0.056	55%	0.553	C	S	.	*	T	Hydrogen-bonded Turn	trans	-118.8	17.4	175.3	62	172	0	0	0	112.2	S36 P40 V295 L296 A326 L329 V330 R333	S36-I38 PolarHBondContact O-N 2.88Å; S36-I38 VanDerWaalsContact O-N 3.1Å; S36-I38 WeakPolarHBondContact OG-CG1 3.25Å; S36-I38 PolarHBondContact OG-N 2.82Å; I38-P40 WeakPolarHBondContact O-CD 3.36Å; I38-P40 VanDerWaalsContact O-N 3.07Å; I38-V295 HydrophobicContact CD1-CG1 3.72Å; I38-L296 HydrophobicContact CD1-CD2 4.04Å; I38-A326 HydrophobicContact CG2-CB 3.7Å; I38-L329 HydrophobicContact CB-CD2 4.24Å; I38-L329 HydrophobicContact CD1-CD2 4.44Å; I38-L329 HydrophobicContact CG2-CD2 4.33Å; I38-V330 HydrophobicContact CG2-CG2 4.09Å; I38-R333 PolarHBondContact O-NH1 3.47Å
39	D	97.3	Very high	80.3	Confident	54 Å²	54	96 Å²	96	29%	0.289	53%	0.529	S	S	.	.			trans	-49.1	112.9	-177.5	-175.6	-1.2	0	0	0	111.2	S36 S41 Y42	S36-D39 VanDerWaalsContact O-CB 3.28Å; S36-D39 WeakPolarHBondContact O-CB 3.13Å; S36-D39 PolarHBondContact O-N 3.04Å; S36-D39 VanDerWaalsContact O-N 3.09Å; D39-S41 PolarHBondContact O-N 3.32Å; D39-S41 WeakPolarHBondContact OD1-CB 3.38Å; D39-S41 PolarHBondContact OD1-N 3.09Å; D39-Y42 PolarHBondContact O-N 2.9Å
40	P	96.4	Very high	83.3	Confident	18 Å²	18	96.5 Å²	96.5	12%	0.117	52%	0.521	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-13.3	179.9	33	-37.3	0	0	0	112.3	I38 Q52 F56 R337	I38-P40 WeakPolarHBondContact O-CD 3.36Å; I38-P40 VanDerWaalsContact O-N 3.07Å; P40-Q52 PolarHBondContact O-NE2 3.38Å; P40-F56 HydrophobicContact CG-CE2 4.35Å; P40-F56 HydrophobicContact CG-CZ 4.44Å; P40-R337 PolarHBondContact O-NH1 2.71Å; P40-R337 PolarHBondContact O-NH2 3.02Å
41	S	97	Very high	86.1	Confident	35 Å²	35	88.5 Å²	88.5	25%	0.245	48%	0.484	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-6	180	-53.8	0	0	0	0	113.7	D39 G43 L44 Q52	D39-S41 PolarHBondContact O-N 3.32Å; D39-S41 WeakPolarHBondContact OD1-CB 3.38Å; D39-S41 PolarHBondContact OD1-N 3.09Å; S41-G43 PolarHBondContact O-N 2.84Å; S41-L44 WeakPolarHBondContact O-CB 3.47Å; S41-L44 WeakPolarHBondContact O-CG 3.35Å; S41-L44 PolarHBondContact O-N 2.8Å; S41-Q52 PolarHBondContact OG-OE1 3.46Å
42	Y	93.2	Very high	88.8	Confident	184 Å²	184	80.3 Å²	80.3	72%	0.722	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	133.6	-179.2	-174.1	-95.8	0	0	0	111.6	D39 L44 R337	D39-Y42 PolarHBondContact O-N 2.9Å; Y42-L44 PolarHBondContact O-N 2.97Å; Y42-R337 PolarHBondContact O-NH1 3.16Å
43	G	93.9	Very high	91.4	Very high	71 Å²	71	74 Å²	74	73%	0.732	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	1.4	-179.9	0	0	0	0	0	115.4	S41	S41-G43 PolarHBondContact O-N 2.84Å
44	L	97.8	Very high	94	Very high	14 Å²	14	72.5 Å²	72.5	7%	0.073	40%	0.402	C	S	.	.			trans	-84.3	147.3	178.4	-59	-168.7	0	0	0	112	S41 Y42 Q48 K49 I110 R337	S41-L44 WeakPolarHBondContact O-CB 3.47Å; S41-L44 WeakPolarHBondContact O-CG 3.35Å; S41-L44 PolarHBondContact O-N 2.8Å; Y42-L44 PolarHBondContact O-N 2.97Å; L44-Q48 HydrophobicContact CB-CB 3.89Å; L44-Q48 HydrophobicContact CD1-CB 4.38Å; L44-Q48 HydrophobicContact CD2-CB 4.48Å; L44-Q48 HydrophobicContact CG-CB 4.48Å; L44-K49 HydrophobicContact CB-CG 3.99Å; L44-K49 VanDerWaalsContact O-CE 3.25Å; L44-K49 WeakPolarHBondContact O-CE 3.44Å; L44-I110 HydrophobicContact CD1-CD1 4Å; L44-I110 HydrophobicContact CD1-CG1 4.25Å; L44-I110 HydrophobicContact CD1-CG2 4.15Å; L44-I110 HydrophobicContact CD2-CD1 3.44Å; L44-I110 VanDerWaalsContact CD2-CD1 3.44Å; L44-I110 HydrophobicContact CD2-CG1 4.08Å; L44-I110 HydrophobicContact CG-CD1 4.33Å; L44-R337 VanDerWaalsContact CD2-NH1 3.28Å
45	T	98.4	Very high	96.1	Very high	76 Å²	76	64.7 Å²	64.7	47%	0.466	36%	0.362	S	S	.	.			trans	-67.4	165.2	166.5	70.2	0	0	0	0	110.8	E47 Q48 K49	T45-E47 VanDerWaalsContact C-N 3.3Å; T45-E47 PolarHBondContact O-N 3.4Å; T45-Q48 VanDerWaalsContact N-OE1 3.08Å; T45-Q48 PolarHBondContact O-N 3.29Å; T45-Q48 WeakPolarHBondContact OG1-CB 3.38Å; T45-Q48 WeakPolarHBondContact OG1-CG 3.44Å; T45-Q48 PolarHBondContact OG1-N 3.35Å; T45-K49 WeakPolarHBondContact O-CG 3.37Å; T45-K49 PolarHBondContact O-N 3.21Å
46	D	98.1	Very high	97.2	Very high	123 Å²	123	63.4 Å²	63.4	66%	0.658	34%	0.343	S	S	*	.	H	α-helix	trans	-66.4	-34.2	179.3	-67.2	-24.8	0	0	0	112.4	K49 E50	D46-K49 PolarHBondContact O-N 3.11Å; D46-K49 IonicContact OD1-NZ 3.24Å; D46-K49 PolarHBondContact OD1-NZ 2.73Å; D46-E50 PolarHBondContact O-N 3.47Å; D46-E50 VanDerWaalsContact O-N 3.07Å
47	E	97.9	Very high	97.6	Very high	130 Å²	130	63.8 Å²	63.8	61%	0.607	34%	0.34	S	S	*	.	H	α-helix	trans	-63.4	-45.1	172.1	-175.4	175	-151.4	0	0	111.7	T45 K49 E50 F51	T45-E47 VanDerWaalsContact C-N 3.3Å; T45-E47 PolarHBondContact O-N 3.4Å; E47-K49 VanDerWaalsContact C-N 3.31Å; E47-K49 PolarHBondContact O-N 2.61Å; E47-E50 WeakPolarHBondContact O-CB 3.22Å; E47-E50 PolarHBondContact O-N 2.97Å; E47-F51 HydrophobicContact CG-CD2 4.4Å; E47-F51 HydrophobicContact CG-CE1 4.14Å; E47-F51 HydrophobicContact CG-CE2 3.63Å; E47-F51 HydrophobicContact CG-CZ 3.47Å; E47-F51 VanDerWaalsContact CG-CZ 3.47Å; E47-F51 WeakPolarHBondContact O-CG 3.46Å; E47-F51 PolarHBondContact O-N 2.75Å
48	Q	98.6	Very high	97.8	Very high	17 Å²	17	59.1 Å²	59.1	8%	0.079	31%	0.307	C	S	.	.	H	α-helix	trans	-62.9	-35.4	175.4	-79.7	172.7	-16.5	0	0	113.2	L44 T45 E50 F51 Q52 D107 I110	L44-Q48 HydrophobicContact CB-CB 3.89Å; L44-Q48 HydrophobicContact CD1-CB 4.38Å; L44-Q48 HydrophobicContact CD2-CB 4.48Å; L44-Q48 HydrophobicContact CG-CB 4.48Å; T45-Q48 VanDerWaalsContact N-OE1 3.08Å; T45-Q48 PolarHBondContact O-N 3.29Å; T45-Q48 WeakPolarHBondContact OG1-CB 3.38Å; T45-Q48 WeakPolarHBondContact OG1-CG 3.44Å; T45-Q48 PolarHBondContact OG1-N 3.35Å; Q48-E50 VanDerWaalsContact C-N 3.31Å; Q48-F51 PolarHBondContact O-N 2.87Å; Q48-Q52 VanDerWaalsContact O-CB 3.25Å; Q48-Q52 WeakPolarHBondContact O-CB 3.37Å; Q48-Q52 PolarHBondContact O-N 2.98Å; Q48-D107 WeakPolarHBondContact CG-OD1 3.43Å; Q48-D107 PolarHBondContact NE2-OD1 2.91Å; Q48-I110 HydrophobicContact CB-CD1 4Å; Q48-I110 HydrophobicContact CG-CD1 3.89Å
49	K	98.6	Very high	97.9	Very high	79 Å²	79	58.6 Å²	58.6	34%	0.343	30%	0.304	S	S	.	.	H	α-helix	trans	-65.6	-35.9	173	-69.9	171.8	-159.6	151.6	0	111.4	L44 T45 D46 E47 Q52 K53	L44-K49 HydrophobicContact CB-CG 3.99Å; L44-K49 VanDerWaalsContact O-CE 3.25Å; L44-K49 WeakPolarHBondContact O-CE 3.44Å; T45-K49 WeakPolarHBondContact O-CG 3.37Å; T45-K49 PolarHBondContact O-N 3.21Å; D46-K49 PolarHBondContact O-N 3.11Å; D46-K49 IonicContact OD1-NZ 3.24Å; D46-K49 PolarHBondContact OD1-NZ 2.73Å; E47-K49 VanDerWaalsContact C-N 3.31Å; E47-K49 PolarHBondContact O-N 2.61Å; K49-Q52 PolarHBondContact O-N 2.72Å; K49-K53 VanDerWaalsContact O-CB 3.26Å; K49-K53 WeakPolarHBondContact O-CB 3.46Å; K49-K53 PolarHBondContact O-N 2.87Å
50	E	98.6	Very high	97.9	Very high	100 Å²	100	58.7 Å²	58.7	47%	0.467	31%	0.312	S	S	.	.	H	α-helix	trans	-67.9	-46.9	175.5	-169.7	57	-147.6	0	0	111.1	D46 E47 Q48 Q52 K53 V54	D46-E50 PolarHBondContact O-N 3.47Å; D46-E50 VanDerWaalsContact O-N 3.07Å; E47-E50 WeakPolarHBondContact O-CB 3.22Å; E47-E50 PolarHBondContact O-N 2.97Å; Q48-E50 VanDerWaalsContact C-N 3.31Å; E50-Q52 VanDerWaalsContact C-N 3.29Å; E50-Q52 PolarHBondContact O-N 3.01Å; E50-K53 PolarHBondContact O-N 3.11Å; E50-K53 VanDerWaalsContact O-N 3.11Å; E50-V54 HydrophobicContact CG-CG2 4.49Å; E50-V54 WeakPolarHBondContact O-CG2 3.43Å; E50-V54 PolarHBondContact O-N 3Å
51	F	98.5	Very high	98	Very high	44 Å²	44	63 Å²	63	19%	0.193	33%	0.334	C	S	.	.	H	α-helix	trans	-56.2	-45.3	173.4	-60.3	-29.3	0	0	0	111.9	E47 Q48 K53 A55 L103 D107 I111	E47-F51 HydrophobicContact CG-CD2 4.4Å; E47-F51 HydrophobicContact CG-CE1 4.14Å; E47-F51 HydrophobicContact CG-CE2 3.63Å; E47-F51 HydrophobicContact CG-CZ 3.47Å; E47-F51 VanDerWaalsContact CG-CZ 3.47Å; E47-F51 WeakPolarHBondContact O-CG 3.46Å; E47-F51 PolarHBondContact O-N 2.75Å; Q48-F51 PolarHBondContact O-N 2.87Å; F51-K53 PolarHBondContact O-N 2.86Å; F51-A55 WeakPolarHBondContact O-CB 3.41Å; F51-A55 PolarHBondContact O-N 3.03Å; F51-L103 HydrophobicContact CD2-CD1 4.36Å; F51-L103 HydrophobicContact CE1-CD2 4.48Å; F51-L103 HydrophobicContact CE2-CD1 4.19Å; F51-L103 HydrophobicContact CE2-CD2 3.83Å; F51-L103 HydrophobicContact CZ-CD1 4.29Å; F51-L103 HydrophobicContact CZ-CD2 3.68Å; F51-D107 HydrophobicContact CD2-CB 4.16Å; F51-D107 HydrophobicContact CE2-CB 4.4Å; F51-I111 HydrophobicContact CB-CD1 4.35Å; F51-I111 HydrophobicContact CB-CG1 4.17Å
52	Q	98.8	Very high	98.1	Very high	4 Å²	4	63.9 Å²	63.9	2%	0.019	34%	0.335	C	S	.	.	H	α-helix	trans	-58.6	-47.6	175.8	-178	171.5	65.7	0	0	111.5	P40 S41 Q48 K49 E50 A55 F56 I110	P40-Q52 PolarHBondContact O-NE2 3.38Å; S41-Q52 PolarHBondContact OG-OE1 3.46Å; Q48-Q52 VanDerWaalsContact O-CB 3.25Å; Q48-Q52 WeakPolarHBondContact O-CB 3.37Å; Q48-Q52 PolarHBondContact O-N 2.98Å; K49-Q52 PolarHBondContact O-N 2.72Å; E50-Q52 VanDerWaalsContact C-N 3.29Å; E50-Q52 PolarHBondContact O-N 3.01Å; Q52-A55 PolarHBondContact O-N 3.32Å; Q52-F56 HydrophobicContact CG-CD2 3.56Å; Q52-F56 HydrophobicContact CG-CE2 3.52Å; Q52-F56 WeakPolarHBondContact O-CB 3.11Å; Q52-F56 VanDerWaalsContact O-CD2 3.26Å; Q52-F56 WeakPolarHBondContact O-CD2 3.39Å; Q52-F56 PolarHBondContact O-N 2.77Å; Q52-I110 HydrophobicContact CB-CG2 3.52Å; Q52-I110 HydrophobicContact CG-CG2 4.02Å
53	K	98.7	Very high	98.4	Very high	105 Å²	105	55.2 Å²	55.2	46%	0.457	30%	0.301	S	S	.	.	H	α-helix	trans	-62.8	-49.1	-178.9	-176.3	-173.3	174.1	-60.4	0	111.3	K49 E50 F51 A55 F56 D57	K49-K53 VanDerWaalsContact O-CB 3.26Å; K49-K53 WeakPolarHBondContact O-CB 3.46Å; K49-K53 PolarHBondContact O-N 2.87Å; E50-K53 PolarHBondContact O-N 3.11Å; E50-K53 VanDerWaalsContact O-N 3.11Å; F51-K53 PolarHBondContact O-N 2.86Å; K53-A55 VanDerWaalsContact C-N 3.3Å; K53-A55 PolarHBondContact O-N 2.98Å; K53-F56 PolarHBondContact O-N 3.23Å; K53-D57 IonicContact NZ-OD2 2.82Å; K53-D57 PolarHBondContact NZ-OD2 3.42Å; K53-D57 WeakPolarHBondContact O-CB 3.1Å; K53-D57 PolarHBondContact O-N 2.83Å
54	V	98.8	Very high	98.6	Very high	45 Å²	45	54 Å²	54	27%	0.273	28%	0.284	S	S	.	.	H	α-helix	trans	-57	-45.3	177.5	172.9	0	0	0	0	110.7	E50 D57 F58 L87 F89	E50-V54 HydrophobicContact CG-CG2 4.49Å; E50-V54 WeakPolarHBondContact O-CG2 3.43Å; E50-V54 PolarHBondContact O-N 3Å; V54-D57 PolarHBondContact O-N 2.78Å; V54-F58 WeakPolarHBondContact O-CB 3.44Å; V54-F58 PolarHBondContact O-N 2.85Å; V54-L87 HydrophobicContact CG1-CD1 4.15Å; V54-F89 HydrophobicContact CG1-CZ 4.04Å
55	A	98.9	Very high	98.7	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-66.8	-40.2	178.8	0	0	0	0	0	113	F51 Q52 K53 F58 A59 F89 I111 A114 L115	F51-A55 WeakPolarHBondContact O-CB 3.41Å; F51-A55 PolarHBondContact O-N 3.03Å; Q52-A55 PolarHBondContact O-N 3.32Å; K53-A55 VanDerWaalsContact C-N 3.3Å; K53-A55 PolarHBondContact O-N 2.98Å; A55-F58 PolarHBondContact O-N 3.09Å; A55-A59 VanDerWaalsContact O-CB 3.3Å; A55-A59 WeakPolarHBondContact O-CB 3.46Å; A55-A59 PolarHBondContact O-N 2.77Å; A55-F89 HydrophobicContact CB-CE2 4.25Å; A55-F89 HydrophobicContact CB-CZ 3.93Å; A55-I111 HydrophobicContact CB-CB 4.5Å; A55-I111 HydrophobicContact CB-CG2 4.15Å; A55-A114 HydrophobicContact CB-CB 3.6Å; A55-L115 HydrophobicContact CB-CD2 4.27Å; A55-L115 HydrophobicContact CB-CG 4.22Å
56	F	98.8	Very high	98.7	Very high	46 Å²	46	57.1 Å²	57.1	20%	0.202	30%	0.3	C	S	.	.	H	α-helix	trans	-65.1	-45	174.8	-91.5	-65.1	0	0	0	112.1	P40 Q52 K53 F58 A59 A60 A114 T117	P40-F56 HydrophobicContact CG-CE2 4.35Å; P40-F56 HydrophobicContact CG-CZ 4.44Å; Q52-F56 HydrophobicContact CG-CD2 3.56Å; Q52-F56 HydrophobicContact CG-CE2 3.52Å; Q52-F56 WeakPolarHBondContact O-CB 3.11Å; Q52-F56 VanDerWaalsContact O-CD2 3.26Å; Q52-F56 WeakPolarHBondContact O-CD2 3.39Å; Q52-F56 PolarHBondContact O-N 2.77Å; K53-F56 PolarHBondContact O-N 3.23Å; F56-F58 VanDerWaalsContact C-N 3.3Å; F56-F58 PolarHBondContact O-N 2.76Å; F56-A59 PolarHBondContact O-N 3.47Å; F56-A60 WeakPolarHBondContact O-CB 3.48Å; F56-A60 PolarHBondContact O-N 2.97Å; F56-A114 HydrophobicContact CB-CB 4.45Å; F56-A114 HydrophobicContact CD1-CB 4.1Å; F56-A114 HydrophobicContact CD2-CB 3.61Å; F56-A114 HydrophobicContact CE1-CB 4.26Å; F56-A114 HydrophobicContact CE2-CB 3.76Å; F56-A114 HydrophobicContact CG-CB 3.78Å; F56-A114 HydrophobicContact CZ-CB 4.08Å; F56-T117 HydrophobicContact CD1-CG2 4.36Å; F56-T117 HydrophobicContact CE1-CG2 3.51Å; F56-T117 HydrophobicContact CZ-CG2 4.25Å
57	D	98.8	Very high	98.7	Very high	71 Å²	71	51.8 Å²	51.8	38%	0.38	27%	0.271	S	S	.	.	H	α-helix	trans	-62.4	-41.8	178.7	-72.8	-18.8	0	0	0	110.1	K53 V54 N61	K53-D57 IonicContact NZ-OD2 2.82Å; K53-D57 PolarHBondContact NZ-OD2 3.42Å; K53-D57 WeakPolarHBondContact O-CB 3.1Å; K53-D57 PolarHBondContact O-N 2.83Å; V54-D57 PolarHBondContact O-N 2.78Å; D57-N61 WeakPolarHBondContact O-CB 3.35Å; D57-N61 PolarHBondContact O-N 2.77Å; D57-N61 VanDerWaalsContact O-N 3.09Å; D57-N61 PolarHBondContact O-ND2 3Å
58	F	98.9	Very high	98.7	Very high	15 Å²	15	48 Å²	48	7%	0.066	26%	0.263	C	S	.	.	H	α-helix	trans	-62.9	-47.3	173.4	-176.2	-93.4	0	0	0	111.9	V54 A55 F56 A60 N61 E62 M63 T80 K83 A84 L87 L115	V54-F58 WeakPolarHBondContact O-CB 3.44Å; V54-F58 PolarHBondContact O-N 2.85Å; A55-F58 PolarHBondContact O-N 3.09Å; F56-F58 VanDerWaalsContact C-N 3.3Å; F56-F58 PolarHBondContact O-N 2.76Å; F58-A60 VanDerWaalsContact C-N 3.32Å; F58-A60 PolarHBondContact O-N 3.03Å; F58-N61 PolarHBondContact O-N 3.32Å; F58-E62 HydrophobicContact CD1-CB 4.47Å; F58-E62 HydrophobicContact CD2-CB 4.01Å; F58-E62 HydrophobicContact CD2-CG 3.85Å; F58-E62 HydrophobicContact CE1-CB 4.18Å; F58-E62 HydrophobicContact CE2-CB 3.7Å; F58-E62 HydrophobicContact CE2-CG 3.7Å; F58-E62 HydrophobicContact CG-CB 4.39Å; F58-E62 HydrophobicContact CZ-CB 3.78Å; F58-E62 HydrophobicContact CZ-CG 4.3Å; F58-E62 WeakPolarHBondContact O-CB 3.03Å; F58-E62 PolarHBondContact O-N 2.78Å; F58-M63 HydrophobicContact CD1-CG 4.18Å; F58-M63 HydrophobicContact CD1-SD 3.92Å; F58-M63 HydrophobicContact CE1-CG 3.85Å; F58-M63 HydrophobicContact CE1-SD 3.86Å; F58-T80 HydrophobicContact CE1-CG2 4.01Å; F58-T80 HydrophobicContact CZ-CG2 3.73Å; F58-T80 WeakPolarHBondContact CZ-O 3.19Å; F58-K83 HydrophobicContact CE2-CB 3.81Å; F58-K83 HydrophobicContact CZ-CB 4.13Å; F58-A84 HydrophobicContact CD1-CB 4.48Å; F58-A84 HydrophobicContact CE1-CB 3.67Å; F58-A84 HydrophobicContact CE2-CB 4.41Å; F58-A84 HydrophobicContact CZ-CB 3.64Å; F58-L87 HydrophobicContact CB-CD1 4.01Å; F58-L87 HydrophobicContact CD2-CD1 3.47Å; F58-L87 VanDerWaalsContact CD2-CD1 3.47Å; F58-L87 HydrophobicContact CE2-CD1 4.2Å; F58-L87 HydrophobicContact CG-CD1 3.91Å; F58-L115 HydrophobicContact CD1-CD2 3.68Å; F58-L115 HydrophobicContact CE1-CD2 4.44Å
59	A	98.9	Very high	98.7	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.279	C	S	.	.	I	π-helix	trans	-59.1	-43.2	179.3	0	0	0	0	0	112.1	A55 F56 M63 A64	A55-A59 VanDerWaalsContact O-CB 3.3Å; A55-A59 WeakPolarHBondContact O-CB 3.46Å; A55-A59 PolarHBondContact O-N 2.77Å; F56-A59 PolarHBondContact O-N 3.47Å; A59-M63 HydrophobicContact CB-SD 4.32Å; A59-M63 WeakPolarHBondContact O-CB 3.17Å; A59-M63 PolarHBondContact O-N 2.49Å; A59-A64 WeakPolarHBondContact O-CB 3.21Å; A59-A64 PolarHBondContact O-N 2.85Å
60	A	98.8	Very high	98.8	Very high	56 Å²	56	48.7 Å²	48.7	46%	0.463	27%	0.266	S	S	.	.	I	π-helix	trans	-69.3	-36.6	-179	0	0	0	0	0	112.9	F56 F58 P65	F56-A60 WeakPolarHBondContact O-CB 3.48Å; F56-A60 PolarHBondContact O-N 2.97Å; F58-A60 VanDerWaalsContact C-N 3.32Å; F58-A60 PolarHBondContact O-N 3.03Å; A60-P65 WeakPolarHBondContact O-CD 3.44Å
61	N	98.7	Very high	98.8	Very high	107 Å²	107	44.2 Å²	44.2	57%	0.572	25%	0.245	S	C	*	.	I	π-helix	trans	-94.5	-35	-173	-65.9	-49.5	0	0	0	113.6	D57 F58	D57-N61 WeakPolarHBondContact O-CB 3.35Å; D57-N61 PolarHBondContact O-N 2.77Å; D57-N61 VanDerWaalsContact O-N 3.09Å; D57-N61 PolarHBondContact O-ND2 3Å; F58-N61 PolarHBondContact O-N 3.32Å
62	E	98.8	Very high	98.8	Very high	55 Å²	55	48.3 Å²	48.3	26%	0.257	27%	0.265	S	S	.	.	I	π-helix	trans	-114.3	-12.9	-169	-61.6	-71.4	158.9	0	0	113.4	F58 W70 T80 K83	F58-E62 HydrophobicContact CD1-CB 4.47Å; F58-E62 HydrophobicContact CD2-CB 4.01Å; F58-E62 HydrophobicContact CD2-CG 3.85Å; F58-E62 HydrophobicContact CE1-CB 4.18Å; F58-E62 HydrophobicContact CE2-CB 3.7Å; F58-E62 HydrophobicContact CE2-CG 3.7Å; F58-E62 HydrophobicContact CG-CB 4.39Å; F58-E62 HydrophobicContact CZ-CB 3.78Å; F58-E62 HydrophobicContact CZ-CG 4.3Å; F58-E62 WeakPolarHBondContact O-CB 3.03Å; F58-E62 PolarHBondContact O-N 2.78Å; E62-W70 WeakPolarHBondContact O-CH2 3.39Å; E62-T80 HydrophobicContact CB-CG2 4.24Å; E62-T80 WeakPolarHBondContact O-CG2 3.34Å; E62-K83 IonicContact OE1-NZ 3.09Å; E62-K83 WeakPolarHBondContact OE2-CD 3.21Å; E62-K83 IonicContact OE2-NZ 2.74Å; E62-K83 PolarHBondContact OE2-NZ 3.47Å
63	M	98.9	Very high	98.8	Very high	1 Å²	1	54.2 Å²	54.2	1%	0.005	29%	0.291	C	S	.	.	I	π-helix	trans	-116	-56.7	-179.2	-56.5	174.5	66.4	0	0	112.8	F58 A59 P65 H66 M67 W70 T80 L115 C119 T122 T123	F58-M63 HydrophobicContact CD1-CG 4.18Å; F58-M63 HydrophobicContact CD1-SD 3.92Å; F58-M63 HydrophobicContact CE1-CG 3.85Å; F58-M63 HydrophobicContact CE1-SD 3.86Å; A59-M63 HydrophobicContact CB-SD 4.32Å; A59-M63 WeakPolarHBondContact O-CB 3.17Å; A59-M63 PolarHBondContact O-N 2.49Å; M63-P65 VanDerWaalsContact C-CD 3.45Å; M63-H66 PolarHBondContact O-N 3.13Å; M63-M67 PolarHBondContact O-N 3.4Å; M63-W70 HydrophobicContact CB-CZ3 4.33Å; M63-T80 HydrophobicContact CG-CG2 4.09Å; M63-L115 HydrophobicContact SD-CB 4.36Å; M63-L115 HydrophobicContact SD-CD2 3.87Å; M63-C119 HydrophobicContact CB-CB 4.33Å; M63-C119 HydrophobicContact CE-CB 3.87Å; M63-T122 HydrophobicContact CE-CG2 4.09Å; M63-T123 VanDerWaalsContact CE-OG1 3.3Å; M63-T123 WeakPolarHBondContact CE-OG1 3.23Å
64	A	98.8	Very high	98.8	Very high	46 Å²	46	50.8 Å²	50.8	38%	0.38	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-41.7	-174.3	0	0	0	0	0	113.9	A59 H66 M67	A59-A64 WeakPolarHBondContact O-CB 3.21Å; A59-A64 PolarHBondContact O-N 2.85Å; A64-H66 PolarHBondContact O-N 2.87Å; A64-M67 PolarHBondContact O-N 3.21Å
65	P	98.7	Very high	98.8	Very high	86 Å²	86	51.4 Å²	51.4	56%	0.558	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-22.5	179.1	-23.9	36.7	0	0	0	113.9	A60 M63	A60-P65 WeakPolarHBondContact O-CD 3.44Å; M63-P65 VanDerWaalsContact C-CD 3.45Å
66	H	98.8	Very high	98.8	Very high	70 Å²	70	52.9 Å²	52.9	32%	0.324	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-11.3	-174.2	-57.3	-68.2	0	0	0	113.6	M63 A64 A68 E69 W70	M63-H66 PolarHBondContact O-N 3.13Å; A64-H66 PolarHBondContact O-N 2.87Å; H66-A68 VanDerWaalsContact C-N 3.32Å; H66-A68 PolarHBondContact O-N 3.03Å; H66-E69 PolarHBondContact O-N 2.82Å; H66-W70 HydrophobicContact CB-CD2 3.8Å; H66-W70 HydrophobicContact CB-CE3 4.19Å; H66-W70 HydrophobicContact CB-CG 4.44Å; H66-W70 HydrophobicContact CB-CH2 3.71Å; H66-W70 HydrophobicContact CB-CZ2 3.28Å; H66-W70 HydrophobicContact CB-CZ3 4.15Å; H66-W70 AromaticContact CG-CZ2 3.83Å; H66-W70 PolarHBondContact O-N 2.67Å
67	M	98.8	Very high	98.7	Very high	11 Å²	11	51 Å²	51	5%	0.054	28%	0.279	C	S	.	.	H	α-helix	trans	-49.2	-48.5	-174.1	-179.5	-178.1	69.7	0	0	113.1	M63 A64 D71 C119 A386 Q389 F390	M63-M67 PolarHBondContact O-N 3.4Å; A64-M67 PolarHBondContact O-N 3.21Å; M67-D71 PolarHBondContact O-N 2.83Å; M67-C119 HydrophobicContact CB-CB 4.21Å; M67-C119 HydrophobicContact CG-CB 3.96Å; M67-C119 HydrophobicContact SD-CB 4.42Å; M67-A386 HydrophobicContact CE-CB 3.57Å; M67-Q389 HydrophobicContact CE-CB 4.26Å; M67-Q389 VanDerWaalsContact CG-CD 3.47Å; M67-Q389 PolarHBondContact O-OE1 3.16Å; M67-Q389 HydrophobicContact SD-CG 4.29Å; M67-F390 HydrophobicContact SD-CE1 4.19Å; M67-F390 HydrophobicContact SD-CZ 4.46Å
68	A	98.7	Very high	98.7	Very high	51 Å²	51	49.7 Å²	49.7	42%	0.421	27%	0.273	S	S	.	.	H	α-helix	trans	-68.8	-37.3	-178	0	0	0	0	0	112.6	H66 Q72	H66-A68 VanDerWaalsContact C-N 3.32Å; H66-A68 PolarHBondContact O-N 3.03Å; A68-Q72 VanDerWaalsContact O-CB 3.31Å; A68-Q72 WeakPolarHBondContact O-CB 3.47Å; A68-Q72 PolarHBondContact O-N 3.24Å
69	E	98.8	Very high	98.7	Very high	90 Å²	90	56.4 Å²	56.4	42%	0.421	31%	0.305	S	S	.	.	H	α-helix	trans	-67.5	-45.6	177.5	179.8	175.3	-172.5	0	0	111	H66 D71 Q72 K73	H66-E69 PolarHBondContact O-N 2.82Å; E69-D71 VanDerWaalsContact C-N 3.32Å; E69-D71 PolarHBondContact O-N 2.95Å; E69-Q72 PolarHBondContact O-N 3.18Å; E69-K73 HydrophobicContact CG-CD 3.83Å; E69-K73 HydrophobicContact CG-CG 4.42Å; E69-K73 WeakPolarHBondContact O-CB 3.15Å; E69-K73 PolarHBondContact O-N 2.7Å; E69-K73 WeakPolarHBondContact OE1-CE 3.41Å; E69-K73 IonicContact OE1-NZ 2.77Å; E69-K73 PolarHBondContact OE1-NZ 3.34Å
70	W	98.8	Very high	98.7	Very high	20 Å²	20	57 Å²	57	8%	0.076	31%	0.308	C	S	.	.	H	α-helix	trans	-63.5	-37.7	178	-62.2	-23.9	0	0	0	112.5	E62 M63 H66 E74 V75 P77 T80 C119 C243	E62-W70 WeakPolarHBondContact O-CH2 3.39Å; M63-W70 HydrophobicContact CB-CZ3 4.33Å; H66-W70 HydrophobicContact CB-CD2 3.8Å; H66-W70 HydrophobicContact CB-CE3 4.19Å; H66-W70 HydrophobicContact CB-CG 4.44Å; H66-W70 HydrophobicContact CB-CH2 3.71Å; H66-W70 HydrophobicContact CB-CZ2 3.28Å; H66-W70 HydrophobicContact CB-CZ3 4.15Å; H66-W70 AromaticContact CG-CZ2 3.83Å; H66-W70 PolarHBondContact O-N 2.67Å; W70-E74 CarbonylContact O-C 3.58Å; W70-E74 WeakPolarHBondContact O-CA 3.41Å; W70-E74 PolarHBondContact O-N 2.87Å; W70-V75 HydrophobicContact CG-CB 4.5Å; W70-V75 PolarHBondContact O-N 2.73Å; W70-P77 HydrophobicContact CD2-CB 3.81Å; W70-P77 HydrophobicContact CD2-CG 4.27Å; W70-P77 HydrophobicContact CE3-CB 4.11Å; W70-P77 HydrophobicContact CE3-CG 4.2Å; W70-P77 HydrophobicContact CG-CB 4.4Å; W70-P77 HydrophobicContact CH2-CB 4.02Å; W70-P77 HydrophobicContact CZ2-CB 3.67Å; W70-P77 HydrophobicContact CZ3-CB 4.22Å; W70-P77 HydrophobicContact CZ3-CG 4.37Å; W70-T80 HydrophobicContact CH2-CG2 3.84Å; W70-T80 WeakPolarHBondContact CH2-OG1 3.33Å; W70-T80 HydrophobicContact CZ2-CG2 4.48Å; W70-T80 VanDerWaalsContact CZ2-OG1 3.29Å; W70-T80 WeakPolarHBondContact CZ2-OG1 3.36Å; W70-C119 HydrophobicContact CZ3-CB 4.41Å; W70-C243 HydrophobicContact CB-CB 3.83Å
71	D	98.9	Very high	98.7	Very high	5 Å²	5	54.4 Å²	54.4	3%	0.027	29%	0.287	C	S	.	.	H	α-helix	trans	-62.4	-51.5	172.8	177.5	72.2	0	0	0	111.5	M67 E69 E74 N242 K383 R392	M67-D71 PolarHBondContact O-N 2.83Å; E69-D71 VanDerWaalsContact C-N 3.32Å; E69-D71 PolarHBondContact O-N 2.95Å; D71-E74 PolarHBondContact O-N 2.69Å; D71-N242 WeakPolarHBondContact O-CB 3.49Å; D71-N242 WeakPolarHBondContact OD1-CB 3.22Å; D71-N242 PolarHBondContact OD1-ND2 3.37Å; D71-K383 IonicContact OD2-NZ 2.62Å; D71-K383 PolarHBondContact OD2-NZ 3.19Å; D71-K383 VanDerWaalsContact OD2-NZ 3.09Å; D71-R392 IonicContact OD1-CZ 2.89Å; D71-R392 IonicContact OD1-NH1 2.69Å; D71-R392 PolarHBondContact OD1-NH1 3.21Å; D71-R392 IonicContact OD1-NH2 3.66Å; D71-R392 PolarHBondContact OD1-NH2 2.97Å; D71-R392 IonicContact OD2-CZ 3.23Å; D71-R392 IonicContact OD2-NH1 2.82Å; D71-R392 PolarHBondContact OD2-NH1 2.69Å; D71-R392 IonicContact OD2-NH2 2.9Å; D71-R392 PolarHBondContact OD2-NH2 3.33Å
72	Q	98.7	Very high	98.7	Very high	130 Å²	130	54.2 Å²	54.2	61%	0.607	28%	0.278	S	S	*	.	H	α-helix	trans	-68.7	-38.7	-172.8	-175.2	59.1	36.9	0	0	112.9	A68 E69	A68-Q72 VanDerWaalsContact O-CB 3.31Å; A68-Q72 WeakPolarHBondContact O-CB 3.47Å; A68-Q72 PolarHBondContact O-N 3.24Å; E69-Q72 PolarHBondContact O-N 3.18Å
73	K	98.7	Very high	98.7	Very high	129 Å²	129	55.8 Å²	55.8	56%	0.561	28%	0.284	S	S	*	.	H	α-helix	trans	-93	-3.3	179.4	-63.3	-178	-177.2	174.6	0	112.8	E69 V75	E69-K73 HydrophobicContact CG-CD 3.83Å; E69-K73 HydrophobicContact CG-CG 4.42Å; E69-K73 WeakPolarHBondContact O-CB 3.15Å; E69-K73 PolarHBondContact O-N 2.7Å; E69-K73 WeakPolarHBondContact OE1-CE 3.41Å; E69-K73 IonicContact OE1-NZ 2.77Å; E69-K73 PolarHBondContact OE1-NZ 3.34Å; K73-V75 VanDerWaalsContact C-N 3.27Å; K73-V75 HydrophobicContact CB-CG2 3.66Å; K73-V75 PolarHBondContact O-N 2.77Å
74	E	98.6	Very high	98.7	Very high	33 Å²	33	55.7 Å²	55.7	15%	0.154	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	52	44.1	-175.2	-52.1	175.2	152.1	0	0	112.4	W70 D71 K235 K237 N242	W70-E74 CarbonylContact O-C 3.58Å; W70-E74 WeakPolarHBondContact O-CA 3.41Å; W70-E74 PolarHBondContact O-N 2.87Å; D71-E74 PolarHBondContact O-N 2.69Å; E74-K235 PolarHBondContact O-NZ 3.01Å; E74-K235 WeakPolarHBondContact OE2-CE 3.24Å; E74-K235 IonicContact OE2-NZ 3.34Å; E74-K235 PolarHBondContact OE2-NZ 3.01Å; E74-K237 WeakPolarHBondContact OE1-CD 3.41Å; E74-K237 IonicContact OE1-NZ 3.52Å; E74-K237 PolarHBondContact OE1-NZ 2.94Å; E74-K237 IonicContact OE2-NZ 3.56Å; E74-K237 PolarHBondContact OE2-NZ 3.35Å; E74-N242 WeakPolarHBondContact CA-O 3.4Å; E74-N242 WeakPolarHBondContact CB-O 3.27Å; E74-N242 HydrophobicContact CG-CB 4.24Å
75	V	98.4	Very high	98.7	Very high	57 Å²	57	54 Å²	54	35%	0.345	27%	0.269	S	S	.	.			trans	-81.7	131.6	-176	171	0	0	0	0	110.2	W70 K73 P77 C243	W70-V75 HydrophobicContact CG-CB 4.5Å; W70-V75 PolarHBondContact O-N 2.73Å; K73-V75 VanDerWaalsContact C-N 3.27Å; K73-V75 HydrophobicContact CB-CG2 3.66Å; K73-V75 PolarHBondContact O-N 2.77Å; V75-P77 WeakPolarHBondContact O-CD 3.43Å; V75-C243 VanDerWaalsContact O-CA 3.3Å; V75-C243 WeakPolarHBondContact O-CA 3.38Å; V75-C243 VanDerWaalsContact O-CB 3.25Å; V75-C243 WeakPolarHBondContact O-CB 3.25Å; V75-C243 VanDerWaalsContact O-O 3.1Å
76	F	98.8	Very high	98.7	Very high	31 Å²	31	57.6 Å²	57.6	14%	0.136	28%	0.279	C	S	.	.			trans	-82.6	109	169.8	-171	-130.8	0	0	0	109.8	V78 M81 Y125 F158 D200 T201 C243 P245	F76-V78 VanDerWaalsContact C-N 3.26Å; F76-V78 HydrophobicContact CD1-CG2 3.61Å; F76-V78 HydrophobicContact CE1-CG2 3.95Å; F76-V78 HydrophobicContact CG-CG2 4.44Å; F76-V78 PolarHBondContact O-N 3.37Å; F76-M81 HydrophobicContact CD1-CE 4.25Å; F76-M81 HydrophobicContact CD2-CE 3.79Å; F76-M81 HydrophobicContact CE1-CE 3.86Å; F76-M81 HydrophobicContact CE2-CE 3.37Å; F76-M81 HydrophobicContact CE2-SD 4.14Å; F76-M81 HydrophobicContact CG-CE 4.21Å; F76-M81 HydrophobicContact CZ-CE 3.4Å; F76-M81 HydrophobicContact CZ-SD 4.44Å; F76-Y125 AromaticContact CE2-CD1 3.62Å; F76-Y125 HydrophobicContact CE2-CD1 3.62Å; F76-Y125 HydrophobicContact CE2-CD2 4.12Å; F76-Y125 AromaticContact CE2-CE1 3.5Å; F76-Y125 HydrophobicContact CE2-CE1 3.5Å; F76-Y125 VanDerWaalsContact CE2-CE1 3.5Å; F76-Y125 HydrophobicContact CE2-CE2 4.04Å; F76-Y125 AromaticContact CE2-CG 3.95Å; F76-Y125 HydrophobicContact CE2-CG 3.95Å; F76-Y125 AromaticContact CE2-CZ 3.75Å; F76-Y125 HydrophobicContact CZ-CD1 4.01Å; F76-Y125 AromaticContact CZ-CE1 3.37Å; F76-Y125 HydrophobicContact CZ-CE1 3.37Å; F76-Y125 HydrophobicContact CZ-CE2 4.07Å; F76-Y125 AromaticContact CZ-CZ 3.44Å; F76-Y125 VanDerWaalsContact CZ-CZ 3.44Å; F76-F158 HydrophobicContact CE1-CD1 4.46Å; F76-F158 HydrophobicContact CE1-CG 4.35Å; F76-F158 HydrophobicContact CZ-CD1 4.16Å; F76-F158 HydrophobicContact CZ-CG 4.4Å; F76-D200 HydrophobicContact CD1-CB 4.18Å; F76-D200 HydrophobicContact CE1-CB 4.48Å; F76-T201 HydrophobicContact CZ-CG2 4.43Å; F76-C243 VanDerWaalsContact CA-O 3.27Å; F76-C243 WeakPolarHBondContact CA-O 3.48Å; F76-C243 WeakPolarHBondContact CD2-O 3.47Å; F76-P245 HydrophobicContact CD2-CG 4.48Å; F76-P245 HydrophobicContact CG-CG 4.41Å
77	P	98.6	Very high	98.7	Very high	7 Å²	7	58.2 Å²	58.2	5%	0.045	28%	0.284	C	S	.	.			trans	-84.1	63.2	-163.1	35	-36.7	0	0	0	112.5	W70 V75 E79 T80 M81 T122	W70-P77 HydrophobicContact CD2-CB 3.81Å; W70-P77 HydrophobicContact CD2-CG 4.27Å; W70-P77 HydrophobicContact CE3-CB 4.11Å; W70-P77 HydrophobicContact CE3-CG 4.2Å; W70-P77 HydrophobicContact CG-CB 4.4Å; W70-P77 HydrophobicContact CH2-CB 4.02Å; W70-P77 HydrophobicContact CZ2-CB 3.67Å; W70-P77 HydrophobicContact CZ3-CB 4.22Å; W70-P77 HydrophobicContact CZ3-CG 4.37Å; V75-P77 WeakPolarHBondContact O-CD 3.43Å; P77-E79 VanDerWaalsContact C-N 3.33Å; P77-E79 PolarHBondContact O-N 3.14Å; P77-T80 PolarHBondContact O-N 2.94Å; P77-M81 HydrophobicContact CG-CE 4.32Å; P77-M81 HydrophobicContact CG-CG 4.33Å; P77-M81 HydrophobicContact CG-SD 4.4Å; P77-M81 WeakPolarHBondContact O-CG 3.34Å; P77-M81 PolarHBondContact O-N 3.18Å; P77-T122 HydrophobicContact CG-CG2 3.7Å
78	V	98.7	Very high	98.7	Very high	43 Å²	43	58.5 Å²	58.5	26%	0.261	29%	0.29	S	S	.	.	H	α-helix	trans	-52.6	-46.6	-175.5	168.8	0	0	0	0	112.4	F76 M81 R82 F158	F76-V78 VanDerWaalsContact C-N 3.26Å; F76-V78 HydrophobicContact CD1-CG2 3.61Å; F76-V78 HydrophobicContact CE1-CG2 3.95Å; F76-V78 HydrophobicContact CG-CG2 4.44Å; F76-V78 PolarHBondContact O-N 3.37Å; V78-M81 PolarHBondContact O-N 3.07Å; V78-R82 WeakPolarHBondContact O-CG 3.49Å; V78-R82 PolarHBondContact O-N 3.26Å; V78-F158 HydrophobicContact CB-CE2 4.43Å; V78-F158 HydrophobicContact CB-CZ 4.37Å; V78-F158 HydrophobicContact CG1-CE2 3.77Å; V78-F158 HydrophobicContact CG1-CZ 3.97Å; V78-F158 HydrophobicContact CG2-CE2 4.22Å; V78-F158 HydrophobicContact CG2-CZ 4.39Å
79	E	98.5	Very high	98.7	Very high	156 Å²	156	56.5 Å²	56.5	73%	0.729	27%	0.272	S	S	*	.	H	α-helix	trans	-62.7	-47.6	-178.4	-65.9	-176.3	175.9	0	0	112	P77 M81 R82 K83	P77-E79 VanDerWaalsContact C-N 3.33Å; P77-E79 PolarHBondContact O-N 3.14Å; E79-M81 VanDerWaalsContact C-N 3.35Å; E79-M81 PolarHBondContact O-N 3.02Å; E79-R82 PolarHBondContact O-N 2.78Å; E79-K83 WeakPolarHBondContact O-CG 3.35Å; E79-K83 PolarHBondContact O-N 2.87Å
80	T	98.8	Very high	98.7	Very high	13 Å²	13	52.2 Å²	52.2	8%	0.08	25%	0.252	C	S	.	.	H	α-helix	trans	-62.6	-42.7	176.5	-58.3	0	0	0	0	111.2	F58 E62 M63 W70 P77 R82 K83 A84	F58-T80 HydrophobicContact CE1-CG2 4.01Å; F58-T80 HydrophobicContact CZ-CG2 3.73Å; F58-T80 WeakPolarHBondContact CZ-O 3.19Å; E62-T80 HydrophobicContact CB-CG2 4.24Å; E62-T80 WeakPolarHBondContact O-CG2 3.34Å; M63-T80 HydrophobicContact CG-CG2 4.09Å; W70-T80 HydrophobicContact CH2-CG2 3.84Å; W70-T80 WeakPolarHBondContact CH2-OG1 3.33Å; W70-T80 HydrophobicContact CZ2-CG2 4.48Å; W70-T80 VanDerWaalsContact CZ2-OG1 3.29Å; W70-T80 WeakPolarHBondContact CZ2-OG1 3.36Å; P77-T80 PolarHBondContact O-N 2.94Å; T80-R82 VanDerWaalsContact C-N 3.32Å; T80-R82 PolarHBondContact O-N 2.62Å; T80-K83 WeakPolarHBondContact O-CB 3.47Å; T80-K83 PolarHBondContact O-N 3.1Å; T80-K83 VanDerWaalsContact O-N 3.16Å; T80-A84 PolarHBondContact O-N 2.85Å
81	M	98.9	Very high	98.7	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-63.9	-37.4	179.3	-69.1	-174.4	-62.3	0	0	112	F76 P77 V78 E79 A84 A85 T122 Y125 I126 M155 F158	F76-M81 HydrophobicContact CD1-CE 4.25Å; F76-M81 HydrophobicContact CD2-CE 3.79Å; F76-M81 HydrophobicContact CE1-CE 3.86Å; F76-M81 HydrophobicContact CE2-CE 3.37Å; F76-M81 HydrophobicContact CE2-SD 4.14Å; F76-M81 HydrophobicContact CG-CE 4.21Å; F76-M81 HydrophobicContact CZ-CE 3.4Å; F76-M81 HydrophobicContact CZ-SD 4.44Å; P77-M81 HydrophobicContact CG-CE 4.32Å; P77-M81 HydrophobicContact CG-CG 4.33Å; P77-M81 HydrophobicContact CG-SD 4.4Å; P77-M81 WeakPolarHBondContact O-CG 3.34Å; P77-M81 PolarHBondContact O-N 3.18Å; V78-M81 PolarHBondContact O-N 3.07Å; E79-M81 VanDerWaalsContact C-N 3.35Å; E79-M81 PolarHBondContact O-N 3.02Å; M81-A84 WeakPolarHBondContact O-CB 3.46Å; M81-A84 PolarHBondContact O-N 3.17Å; M81-A85 PolarHBondContact O-N 2.75Å; M81-T122 HydrophobicContact CG-CG2 3.91Å; M81-T122 HydrophobicContact SD-CG2 4.19Å; M81-Y125 HydrophobicContact CE-CD1 4.23Å; M81-Y125 HydrophobicContact CE-CE1 4.12Å; M81-Y125 HydrophobicContact SD-CD1 3.39Å; M81-Y125 WeakPolarHBondContact SD-CD1 3.27Å; M81-Y125 HydrophobicContact SD-CE1 3.71Å; M81-I126 HydrophobicContact CG-CD1 4.22Å; M81-I126 HydrophobicContact CG-CG1 4.14Å; M81-I126 HydrophobicContact SD-CG1 4.22Å; M81-M155 HydrophobicContact CB-SD 3.67Å; M81-F158 HydrophobicContact CB-CE1 3.93Å; M81-F158 HydrophobicContact CB-CZ 4.28Å; M81-F158 HydrophobicContact CE-CD1 4.28Å; M81-F158 HydrophobicContact CE-CE1 3.64Å; M81-F158 HydrophobicContact CE-CZ 4.12Å; M81-F158 HydrophobicContact SD-CE1 4.24Å
82	R	98.9	Very high	98.7	Very high	104 Å²	104	51.1 Å²	51.1	39%	0.392	25%	0.248	S	C	.	.	H	α-helix	trans	-64.8	-38.8	171.7	-76.1	175.1	177	166.3	-2.8	113	V78 E79 T80 A84 A85 Q86 M155 E156 F158	V78-R82 WeakPolarHBondContact O-CG 3.49Å; V78-R82 PolarHBondContact O-N 3.26Å; E79-R82 PolarHBondContact O-N 2.78Å; T80-R82 VanDerWaalsContact C-N 3.32Å; T80-R82 PolarHBondContact O-N 2.62Å; R82-A84 VanDerWaalsContact C-N 3.3Å; R82-A84 PolarHBondContact O-N 3.5Å; R82-A85 WeakPolarHBondContact O-CB 3.44Å; R82-A85 PolarHBondContact O-N 2.85Å; R82-Q86 WeakPolarHBondContact O-CG 3.26Å; R82-Q86 PolarHBondContact O-N 2.78Å; R82-M155 HydrophobicContact CG-CB 4.09Å; R82-M155 VanDerWaalsContact CG-O 3.27Å; R82-M155 WeakPolarHBondContact CG-O 3.44Å; R82-M155 PolarHBondContact NE-O 3.42Å; R82-E156 PolarHBondContact NH2-O 3.32Å; R82-F158 HydrophobicContact CG-CZ 4.3Å
83	K	98.8	Very high	98.7	Very high	87 Å²	87	45.8 Å²	45.8	38%	0.378	22%	0.222	S	C	.	.	H	α-helix	trans	-62.6	-38.5	171.4	-65.8	-178	-172.6	-178.3	0	111.7	F58 E62 E79 T80 A85 Q86	F58-K83 HydrophobicContact CE2-CB 3.81Å; F58-K83 HydrophobicContact CZ-CB 4.13Å; E62-K83 IonicContact OE1-NZ 3.09Å; E62-K83 WeakPolarHBondContact OE2-CD 3.21Å; E62-K83 IonicContact OE2-NZ 2.74Å; E62-K83 PolarHBondContact OE2-NZ 3.47Å; E79-K83 WeakPolarHBondContact O-CG 3.35Å; E79-K83 PolarHBondContact O-N 2.87Å; T80-K83 WeakPolarHBondContact O-CB 3.47Å; T80-K83 PolarHBondContact O-N 3.1Å; T80-K83 VanDerWaalsContact O-N 3.16Å; K83-A85 VanDerWaalsContact C-N 3.31Å; K83-A85 PolarHBondContact O-N 2.76Å; K83-Q86 WeakPolarHBondContact O-CB 3.32Å; K83-Q86 PolarHBondContact O-N 3.01Å
84	A	98.8	Very high	98.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.9	-40.4	173.6	0	0	0	0	0	111.1	F58 T80 M81 R82 Q86 L87 F89 I126	F58-A84 HydrophobicContact CD1-CB 4.48Å; F58-A84 HydrophobicContact CE1-CB 3.67Å; F58-A84 HydrophobicContact CE2-CB 4.41Å; F58-A84 HydrophobicContact CZ-CB 3.64Å; T80-A84 PolarHBondContact O-N 2.85Å; M81-A84 WeakPolarHBondContact O-CB 3.46Å; M81-A84 PolarHBondContact O-N 3.17Å; R82-A84 VanDerWaalsContact C-N 3.3Å; R82-A84 PolarHBondContact O-N 3.5Å; A84-Q86 VanDerWaalsContact C-N 3.33Å; A84-Q86 PolarHBondContact O-N 3.43Å; A84-L87 WeakPolarHBondContact O-CB 3.43Å; A84-L87 PolarHBondContact O-N 2.83Å; A84-F89 HydrophobicContact CB-CB 4.18Å; A84-F89 HydrophobicContact CB-CD2 4.14Å; A84-F89 VanDerWaalsContact O-CB 3.3Å; A84-F89 WeakPolarHBondContact O-CB 3.24Å; A84-F89 PolarHBondContact O-N 2.94Å; A84-I126 HydrophobicContact CB-CD1 4.42Å
85	A	98.8	Very high	98.7	Very high	10 Å²	10	42.7 Å²	42.7	8%	0.083	21%	0.206	C	C	.	.	H	α-helix	trans	-63.3	-35.3	176.4	0	0	0	0	0	113.2	M81 R82 K83 L87 G88 S154 M155	M81-A85 PolarHBondContact O-N 2.75Å; R82-A85 WeakPolarHBondContact O-CB 3.44Å; R82-A85 PolarHBondContact O-N 2.85Å; K83-A85 VanDerWaalsContact C-N 3.31Å; K83-A85 PolarHBondContact O-N 2.76Å; A85-L87 PolarHBondContact O-N 2.84Å; A85-G88 WeakPolarHBondContact O-CA 3.23Å; A85-G88 PolarHBondContact O-N 2.95Å; A85-S154 WeakPolarHBondContact CB-O 3.45Å; A85-M155 HydrophobicContact CB-CB 3.83Å; A85-M155 HydrophobicContact CB-CG 3.75Å; A85-M155 HydrophobicContact CB-SD 4.12Å
86	Q	98.6	Very high	98.7	Very high	161 Å²	161	43.7 Å²	43.7	75%	0.752	21%	0.213	S	C	*	.	H	α-helix	trans	-61.9	-22.4	172.6	-68.3	169.6	3.5	0	0	113.3	R82 K83 A84 G88	R82-Q86 WeakPolarHBondContact O-CG 3.26Å; R82-Q86 PolarHBondContact O-N 2.78Å; K83-Q86 WeakPolarHBondContact O-CB 3.32Å; K83-Q86 PolarHBondContact O-N 3.01Å; A84-Q86 VanDerWaalsContact C-N 3.33Å; A84-Q86 PolarHBondContact O-N 3.43Å; Q86-G88 VanDerWaalsContact C-N 3.32Å
87	L	98.6	Very high	98.6	Very high	83 Å²	83	48.7 Å²	48.7	44%	0.435	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	5.7	172.5	-57.5	176.8	0	0	0	112.9	V54 F58 A84 A85 F89	V54-L87 HydrophobicContact CG1-CD1 4.15Å; F58-L87 HydrophobicContact CB-CD1 4.01Å; F58-L87 HydrophobicContact CD2-CD1 3.47Å; F58-L87 VanDerWaalsContact CD2-CD1 3.47Å; F58-L87 HydrophobicContact CE2-CD1 4.2Å; F58-L87 HydrophobicContact CG-CD1 3.91Å; A84-L87 WeakPolarHBondContact O-CB 3.43Å; A84-L87 PolarHBondContact O-N 2.83Å; A85-L87 PolarHBondContact O-N 2.84Å; L87-F89 HydrophobicContact CB-CD2 4.1Å; L87-F89 HydrophobicContact CB-CE2 3.93Å; L87-F89 HydrophobicContact CB-CG 4.5Å; L87-F89 HydrophobicContact CB-CZ 4.17Å; L87-F89 HydrophobicContact CD1-CE2 3.97Å
88	G	98.5	Very high	98.6	Very high	18 Å²	18	48.7 Å²	48.7	19%	0.186	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.7	3.1	-178.1	0	0	0	0	0	114.9	A85 Q86 G90 S101	A85-G88 WeakPolarHBondContact O-CA 3.23Å; A85-G88 PolarHBondContact O-N 2.95Å; Q86-G88 VanDerWaalsContact C-N 3.32Å; G88-G90 VanDerWaalsContact C-N 3.31Å; G88-G90 PolarHBondContact O-N 2.82Å; G88-S101 VanDerWaalsContact CA-OG 3.24Å; G88-S101 WeakPolarHBondContact CA-OG 3.46Å; G88-S101 PolarHBondContact O-OG 3.22Å
89	F	98.8	Very high	98.6	Very high	8 Å²	8	49.2 Å²	49.2	4%	0.035	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-3.9	-174.1	-53	-29.3	0	0	0	114.9	V54 A55 A84 L87 I92 I111 L115 I126 N130	V54-F89 HydrophobicContact CG1-CZ 4.04Å; A55-F89 HydrophobicContact CB-CE2 4.25Å; A55-F89 HydrophobicContact CB-CZ 3.93Å; A84-F89 HydrophobicContact CB-CB 4.18Å; A84-F89 HydrophobicContact CB-CD2 4.14Å; A84-F89 VanDerWaalsContact O-CB 3.3Å; A84-F89 WeakPolarHBondContact O-CB 3.24Å; A84-F89 PolarHBondContact O-N 2.94Å; L87-F89 HydrophobicContact CB-CD2 4.1Å; L87-F89 HydrophobicContact CB-CE2 3.93Å; L87-F89 HydrophobicContact CB-CG 4.5Å; L87-F89 HydrophobicContact CB-CZ 4.17Å; L87-F89 HydrophobicContact CD1-CE2 3.97Å; F89-I92 HydrophobicContact CB-CD1 4.4Å; F89-I92 HydrophobicContact CB-CG1 4.37Å; F89-I92 HydrophobicContact CD1-CD1 4.45Å; F89-I92 HydrophobicContact CD1-CG1 4.37Å; F89-I111 HydrophobicContact CD1-CD1 4.28Å; F89-I111 HydrophobicContact CD1-CG2 3.72Å; F89-I111 HydrophobicContact CE1-CD1 3.95Å; F89-I111 HydrophobicContact CE1-CG1 4.17Å; F89-I111 HydrophobicContact CE1-CG2 3.71Å; F89-I111 HydrophobicContact CG-CG2 4.18Å; F89-I111 HydrophobicContact CZ-CG2 4.15Å; F89-L115 HydrophobicContact CD2-CD1 4.11Å; F89-L115 HydrophobicContact CD2-CD2 4.21Å; F89-L115 HydrophobicContact CE2-CD2 4.16Å; F89-L115 HydrophobicContact CG-CD1 4.41Å; F89-I126 WeakPolarHBondContact O-CG2 3.25Å; F89-N130 PolarHBondContact O-ND2 3.02Å
90	G	98.4	Very high	98.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-31.1	173.5	0	0	0	0	0	113.5	G88 H129 N130 C153	G88-G90 VanDerWaalsContact C-N 3.31Å; G88-G90 PolarHBondContact O-N 2.82Å; G90-H129 PolarHBondContact O-CD2 3.38Å; G90-H129 PolarHBondContact O-NE2 3.33Å; G90-N130 PolarHBondContact O-ND2 3.39Å; G90-N130 PolarHBondContact O-OD1 3.07Å; G90-C153 WeakPolarHBondContact CA-O 3.33Å
91	G	98.7	Very high	98.6	Very high	2 Å²	2	43.7 Å²	43.7	2%	0.021	23%	0.232	C	C	.	.	S	Bend	trans	-140.7	56.8	-179.9	0	0	0	0	0	112.4	Y93 T94 G100 S101 N130	G91-Y93 PolarHBondContact O-N 2.91Å; G91-T94 PolarHBondContact O-N 2.79Å; G91-G100 CarbonylContact O-C 3.55Å; G91-G100 VanDerWaalsContact O-CA 3.29Å; G91-G100 WeakPolarHBondContact O-CA 3.41Å; G91-S101 PolarHBondContact O-N 3.28Å; G91-N130 WeakPolarHBondContact CA-OD1 3.47Å
92	I	98.8	Very high	98.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-52.3	-172.4	-63	175.1	0	0	0	112	F89 S101 G102 L103 T108 I111 F112 N130	F89-I92 HydrophobicContact CB-CD1 4.4Å; F89-I92 HydrophobicContact CB-CG1 4.37Å; F89-I92 HydrophobicContact CD1-CD1 4.45Å; F89-I92 HydrophobicContact CD1-CG1 4.37Å; I92-S101 CarbonylContact O-C 3.6Å; I92-S101 WeakPolarHBondContact O-CB 3.29Å; I92-G102 PolarHBondContact O-N 2.89Å; I92-L103 HydrophobicContact CG2-CB 4.04Å; I92-L103 HydrophobicContact CG2-CD1 4.19Å; I92-L103 WeakPolarHBondContact O-CB 3.5Å; I92-L103 PolarHBondContact O-N 3.14Å; I92-T108 HydrophobicContact CG2-CG2 4.13Å; I92-T108 VanDerWaalsContact CG2-OG1 3.25Å; I92-T108 WeakPolarHBondContact CG2-OG1 3.24Å; I92-I111 HydrophobicContact CD1-CB 4.37Å; I92-I111 HydrophobicContact CD1-CD1 4.5Å; I92-I111 HydrophobicContact CD1-CG2 3.79Å; I92-I111 HydrophobicContact CG2-CD1 4.06Å; I92-F112 HydrophobicContact CD1-CD1 4.28Å; I92-F112 HydrophobicContact CD1-CE1 3.59Å; I92-F112 HydrophobicContact CD1-CE2 4.36Å; I92-F112 HydrophobicContact CD1-CZ 3.63Å; I92-N130 PolarHBondContact N-OD1 3.34Å
93	Y	98.4	Very high	98.5	Very high	19 Å²	19	42.5 Å²	42.5	8%	0.075	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	24.4	-177.9	56.1	-89.5	0	0	0	112.2	G91 L103 R105 T108 N130 M131 W134	G91-Y93 PolarHBondContact O-N 2.91Å; Y93-L103 WeakPolarHBondContact CB-O 3.43Å; Y93-R105 VanDerWaalsContact CD2-NH1 3.25Å; Y93-T108 HydrophobicContact CD1-CG2 3.56Å; Y93-T108 WeakPolarHBondContact CD1-OG1 3.37Å; Y93-T108 HydrophobicContact CE1-CG2 3.72Å; Y93-N130 HydrophobicContact CE1-CB 3.71Å; Y93-N130 VanDerWaalsContact OH-C 3.24Å; Y93-N130 PolarHBondContact OH-O 3.26Å; Y93-M131 VanDerWaalsContact OH-CA 3.27Å; Y93-M131 WeakPolarHBondContact OH-CA 3.5Å; Y93-M131 PolarHBondContact OH-N 3.16Å; Y93-W134 HydrophobicContact CD2-CB 3.71Å; Y93-W134 AromaticContact CD2-CD1 3.47Å; Y93-W134 VanDerWaalsContact CD2-CD1 3.47Å; Y93-W134 AromaticContact CD2-CG 3.64Å; Y93-W134 HydrophobicContact CD2-CG 3.64Å; Y93-W134 HydrophobicContact CE2-CB 3.25Å; Y93-W134 AromaticContact CE2-CD1 3.73Å; Y93-W134 HydrophobicContact CE2-CD2 4.18Å; Y93-W134 AromaticContact CE2-CG 3.39Å; Y93-W134 HydrophobicContact CE2-CG 3.39Å
94	T	98.7	Very high	98.5	Very high	0 Å²	0	40 Å²	40	0%	0	24%	0.237	C	C	.	.	S	Bend	trans	-88.3	146.6	166.5	-61.1	0	0	0	0	108.3	G91 V98 G100 S101 G102 D137 C149	G91-T94 PolarHBondContact O-N 2.79Å; T94-V98 HydrophobicContact CG2-CG2 3.76Å; T94-G100 CarbonylContact O-C 3.52Å; T94-G100 VanDerWaalsContact O-CA 3.32Å; T94-G100 WeakPolarHBondContact O-CA 3.22Å; T94-S101 PolarHBondContact O-N 2.8Å; T94-G102 WeakPolarHBondContact O-CA 3.38Å; T94-G102 PolarHBondContact O-N 2.72Å; T94-D137 HydrophobicContact CG2-CB 3.9Å; T94-C149 HydrophobicContact CG2-CB 4.49Å
95	R	98.5	Very high	98.5	Very high	96 Å²	96	41.4 Å²	41.4	36%	0.362	24%	0.242	S	C	.	.			trans	-66	146.5	-175.3	-71.7	176	-76.7	-175.5	-5.1	113.4	E97 V98 G100 D137 R145	R95-E97 VanDerWaalsContact C-N 3.27Å; R95-E97 VanDerWaalsContact CB-OE2 3.23Å; R95-E97 WeakPolarHBondContact CB-OE2 3.41Å; R95-E97 PolarHBondContact O-N 2.89Å; R95-V98 WeakPolarHBondContact O-CG2 3.01Å; R95-V98 PolarHBondContact O-N 3.17Å; R95-G100 PolarHBondContact O-N 3.35Å; R95-G100 VanDerWaalsContact O-N 3.14Å; R95-D137 WeakPolarHBondContact CB-OD2 3.4Å; R95-D137 VanDerWaalsContact CG-OD2 3.32Å; R95-D137 WeakPolarHBondContact CG-OD2 3.17Å; R95-D137 IonicContact CZ-OD1 3.6Å; R95-D137 VanDerWaalsContact CZ-OD1 3.23Å; R95-D137 IonicContact CZ-OD2 3.69Å; R95-D137 PolarHBondContact N-OD2 3.31Å; R95-D137 VanDerWaalsContact NE-CG 3.3Å; R95-D137 IonicContact NE-OD1 2.91Å; R95-D137 PolarHBondContact NE-OD1 3.45Å; R95-D137 IonicContact NE-OD2 2.69Å; R95-D137 PolarHBondContact NE-OD2 2.95Å; R95-D137 PolarHBondContact NH2-O 2.95Å; R95-D137 IonicContact NH2-OD1 3.03Å; R95-D137 PolarHBondContact NH2-OD1 3.05Å; R95-D137 IonicContact NH2-OD2 2.74Å; R95-R145 VanDerWaalsContact CZ-NH2 3.28Å; R95-R145 VanDerWaalsContact NH2-CZ 3.28Å
96	P	98.2	Very high	98.5	Very high	78 Å²	78	42 Å²	42	51%	0.506	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-60.6	-31	-178.6	-25.4	36.1	0	0	0	115	V98 G99 G100	P96-V98 PolarHBondContact O-N 3.3Å; P96-G99 PolarHBondContact O-N 3.16Å; P96-G100 WeakPolarHBondContact CA-O 3.39Å
97	E	97.9	Very high	98.5	Very high	136 Å²	136	35.2 Å²	35.2	64%	0.636	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-59.6	-20.8	-178.1	-51.5	82.7	-128	0	0	113.4	R95 R145	R95-E97 VanDerWaalsContact C-N 3.27Å; R95-E97 VanDerWaalsContact CB-OE2 3.23Å; R95-E97 WeakPolarHBondContact CB-OE2 3.41Å; R95-E97 PolarHBondContact O-N 2.89Å; E97-R145 IonicContact OE2-NH2 3.17Å
98	V	98.4	Very high	98.5	Very high	8 Å²	8	31.3 Å²	31.3	5%	0.048	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-119.1	26.7	178.9	-61.6	0	0	0	0	112.6	T94 R95 P96 R145 C149	T94-V98 HydrophobicContact CG2-CG2 3.76Å; R95-V98 WeakPolarHBondContact O-CG2 3.01Å; R95-V98 PolarHBondContact O-N 3.17Å; P96-V98 PolarHBondContact O-N 3.3Å; V98-R145 HydrophobicContact CG1-CB 4.15Å; V98-C149 HydrophobicContact CB-CB 3.71Å; V98-C149 HydrophobicContact CG2-CB 3.55Å
99	G	98.1	Very high	98.6	Very high	54 Å²	54	30.4 Å²	30.4	56%	0.557	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.1	5.8	172.9	0	0	0	0	0	115.5	P96 C153	P96-G99 PolarHBondContact O-N 3.16Å; G99-C153 VanDerWaalsContact O-CB 3.31Å; G99-C153 WeakPolarHBondContact O-CB 3.48Å
100	G	98.5	Very high	98.6	Very high	11 Å²	11	30 Å²	30	11%	0.113	18%	0.182	C	C	.	.			trans	-78.2	171.2	174.6	0	0	0	0	0	113.5	G91 T94 R95 P96	G91-G100 CarbonylContact O-C 3.55Å; G91-G100 VanDerWaalsContact O-CA 3.29Å; G91-G100 WeakPolarHBondContact O-CA 3.41Å; T94-G100 CarbonylContact O-C 3.52Å; T94-G100 VanDerWaalsContact O-CA 3.32Å; T94-G100 WeakPolarHBondContact O-CA 3.22Å; R95-G100 PolarHBondContact O-N 3.35Å; R95-G100 VanDerWaalsContact O-N 3.14Å; P96-G100 WeakPolarHBondContact CA-O 3.39Å
101	S	98.7	Very high	98.6	Very high	42 Å²	42	30 Å²	30	29%	0.294	18%	0.182	S	C	.	.			trans	-88.7	-12.5	179	-56.7	0	0	0	0	113.3	G88 G91 I92 T94 L103	G88-S101 VanDerWaalsContact CA-OG 3.24Å; G88-S101 WeakPolarHBondContact CA-OG 3.46Å; G88-S101 PolarHBondContact O-OG 3.22Å; G91-S101 PolarHBondContact O-N 3.28Å; I92-S101 CarbonylContact O-C 3.6Å; I92-S101 WeakPolarHBondContact O-CB 3.29Å; T94-S101 PolarHBondContact O-N 2.8Å; S101-L103 PolarHBondContact O-N 3.42Å
102	G	98.2	Very high	98.6	Very high	42 Å²	42	30 Å²	30	43%	0.433	18%	0.181	S	C	.	.			trans	63	20.4	177.7	0	0	0	0	0	115.3	I92 T94	I92-G102 PolarHBondContact O-N 2.89Å; T94-G102 WeakPolarHBondContact O-CA 3.38Å; T94-G102 PolarHBondContact O-N 2.72Å
103	L	98.6	Very high	98.6	Very high	38 Å²	38	30 Å²	30	20%	0.199	18%	0.181	C	C	.	.			trans	-79.6	157.7	-174.5	-58.4	-175.8	0	0	0	112.5	F51 I92 Y93 S101 D107 I111	F51-L103 HydrophobicContact CD2-CD1 4.36Å; F51-L103 HydrophobicContact CE1-CD2 4.48Å; F51-L103 HydrophobicContact CE2-CD1 4.19Å; F51-L103 HydrophobicContact CE2-CD2 3.83Å; F51-L103 HydrophobicContact CZ-CD1 4.29Å; F51-L103 HydrophobicContact CZ-CD2 3.68Å; I92-L103 HydrophobicContact CG2-CB 4.04Å; I92-L103 HydrophobicContact CG2-CD1 4.19Å; I92-L103 WeakPolarHBondContact O-CB 3.5Å; I92-L103 PolarHBondContact O-N 3.14Å; Y93-L103 WeakPolarHBondContact CB-O 3.43Å; S101-L103 PolarHBondContact O-N 3.42Å; L103-D107 HydrophobicContact CB-CB 3.96Å; L103-D107 HydrophobicContact CD1-CB 4.47Å; L103-I111 HydrophobicContact CD1-CD1 3.73Å
104	S	98.6	Very high	98.6	Very high	34 Å²	34	29 Å²	29	24%	0.238	18%	0.177	C	C	.	.			trans	-75	173.9	-176.7	77.1	0	0	0	0	113.1	L106 D107 T108 Q344	S104-L106 VanDerWaalsContact C-N 3.34Å; S104-L106 PolarHBondContact OG-N 3.38Å; S104-D107 VanDerWaalsContact CB-OD2 3.25Å; S104-D107 WeakPolarHBondContact CB-OD2 3.44Å; S104-D107 PolarHBondContact N-OD2 3.31Å; S104-D107 PolarHBondContact O-N 3.22Å; S104-D107 PolarHBondContact OG-N 3.41Å; S104-D107 PolarHBondContact OG-OD1 3.46Å; S104-D107 PolarHBondContact OG-OD2 3.01Å; S104-T108 WeakPolarHBondContact O-CB 3.39Å; S104-T108 PolarHBondContact O-N 3.36Å; S104-T108 PolarHBondContact O-OG1 2.89Å; S104-Q344 VanDerWaalsContact CB-OE1 3.3Å; S104-Q344 PolarHBondContact OG-OE1 3.14Å
105	R	98.6	Very high	98.6	Very high	29 Å²	29	29 Å²	29	11%	0.109	18%	0.177	C	C	.	.	H	α-helix	trans	-65.9	-38	174.8	-67.8	-63.1	-175.2	-167	-4.3	111.6	Y93 S109 A340 L343 Q344	Y93-R105 VanDerWaalsContact CD2-NH1 3.25Å; R105-S109 PolarHBondContact O-N 2.74Å; R105-A340 HydrophobicContact CB-CB 4.25Å; R105-A340 WeakPolarHBondContact CB-O 3.49Å; R105-L343 HydrophobicContact CG-CB 4.45Å; R105-L343 HydrophobicContact CG-CD2 4.14Å; R105-L343 HydrophobicContact CG-CG 4.28Å; R105-Q344 HydrophobicContact CB-CB 4.09Å; R105-Q344 HydrophobicContact CG-CB 4.08Å
106	L	98.8	Very high	98.7	Very high	23 Å²	23	24.5 Å²	24.5	12%	0.12	16%	0.16	C	C	.	.	H	α-helix	trans	-66.2	-45.3	176.7	179.7	56.1	0	0	0	111.2	S104 T108 S109 I110 R337 A340	S104-L106 VanDerWaalsContact C-N 3.34Å; S104-L106 PolarHBondContact OG-N 3.38Å; L106-T108 VanDerWaalsContact C-N 3.3Å; L106-T108 PolarHBondContact O-N 3.01Å; L106-S109 WeakPolarHBondContact O-CB 3.47Å; L106-S109 PolarHBondContact O-N 3.09Å; L106-S109 VanDerWaalsContact O-N 3.16Å; L106-I110 HydrophobicContact CD1-CD1 4.14Å; L106-I110 HydrophobicContact CD1-CG1 4.44Å; L106-I110 HydrophobicContact CG-CD1 3.98Å; L106-I110 WeakPolarHBondContact O-CD1 3.47Å; L106-I110 VanDerWaalsContact O-CG1 3.3Å; L106-I110 WeakPolarHBondContact O-CG1 3.42Å; L106-I110 PolarHBondContact O-N 2.76Å; L106-R337 HydrophobicContact CD1-CB 3.81Å; L106-R337 HydrophobicContact CD1-CG 3.68Å; L106-A340 HydrophobicContact CB-CB 4.43Å
107	D	98.9	Very high	98.7	Very high	19 Å²	19	22.1 Å²	22.1	10%	0.102	14%	0.144	C	C	.	.	H	α-helix	trans	-61	-42.3	177.7	-52	-33.2	0	0	0	111	Q48 F51 L103 S104 S109 I110 I111	Q48-D107 WeakPolarHBondContact CG-OD1 3.43Å; Q48-D107 PolarHBondContact NE2-OD1 2.91Å; F51-D107 HydrophobicContact CD2-CB 4.16Å; F51-D107 HydrophobicContact CE2-CB 4.4Å; L103-D107 HydrophobicContact CB-CB 3.96Å; L103-D107 HydrophobicContact CD1-CB 4.47Å; S104-D107 VanDerWaalsContact CB-OD2 3.25Å; S104-D107 WeakPolarHBondContact CB-OD2 3.44Å; S104-D107 PolarHBondContact N-OD2 3.31Å; S104-D107 PolarHBondContact O-N 3.22Å; S104-D107 PolarHBondContact OG-N 3.41Å; S104-D107 PolarHBondContact OG-OD1 3.46Å; S104-D107 PolarHBondContact OG-OD2 3.01Å; D107-S109 PolarHBondContact O-N 2.67Å; D107-I110 WeakPolarHBondContact O-CB 3.32Å; D107-I110 PolarHBondContact O-N 3.38Å; D107-I111 WeakPolarHBondContact O-CG1 3.46Å; D107-I111 PolarHBondContact O-N 2.77Å
108	T	98.9	Very high	98.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-58.4	-46.1	174.6	-57.9	0	0	0	0	112.1	I92 Y93 S104 L106 I110 I111 F112	I92-T108 HydrophobicContact CG2-CG2 4.13Å; I92-T108 VanDerWaalsContact CG2-OG1 3.25Å; I92-T108 WeakPolarHBondContact CG2-OG1 3.24Å; Y93-T108 HydrophobicContact CD1-CG2 3.56Å; Y93-T108 WeakPolarHBondContact CD1-OG1 3.37Å; Y93-T108 HydrophobicContact CE1-CG2 3.72Å; S104-T108 WeakPolarHBondContact O-CB 3.39Å; S104-T108 PolarHBondContact O-N 3.36Å; S104-T108 PolarHBondContact O-OG1 2.89Å; L106-T108 VanDerWaalsContact C-N 3.3Å; L106-T108 PolarHBondContact O-N 3.01Å; T108-I110 VanDerWaalsContact C-N 3.31Å; T108-I110 PolarHBondContact O-N 2.92Å; T108-I111 PolarHBondContact O-N 3.36Å; T108-F112 HydrophobicContact CG2-CD2 3.59Å; T108-F112 HydrophobicContact CG2-CE2 3.31Å; T108-F112 HydrophobicContact CG2-CZ 4.19Å; T108-F112 WeakPolarHBondContact O-CD2 3.47Å; T108-F112 PolarHBondContact O-N 2.78Å
109	S	98.9	Very high	98.8	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-60.3	-41.6	177.8	178.5	0	0	0	0	111.7	R105 L106 D107 E113 S285	R105-S109 PolarHBondContact O-N 2.74Å; L106-S109 WeakPolarHBondContact O-CB 3.47Å; L106-S109 PolarHBondContact O-N 3.09Å; L106-S109 VanDerWaalsContact O-N 3.16Å; D107-S109 PolarHBondContact O-N 2.67Å; S109-E113 VanDerWaalsContact O-CB 3.31Å; S109-E113 WeakPolarHBondContact O-CB 3.37Å; S109-E113 PolarHBondContact O-N 3.46Å; S109-S285 WeakPolarHBondContact CB-OG 3.5Å; S109-S285 WeakPolarHBondContact O-CB 3.47Å; S109-S285 PolarHBondContact OG-OG 3.23Å
110	I	98.9	Very high	98.8	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-64.5	-45.1	178.3	-68.2	159.6	0	0	0	111.3	L44 Q48 Q52 L106 D107 T108 E113 A114	L44-I110 HydrophobicContact CD1-CD1 4Å; L44-I110 HydrophobicContact CD1-CG1 4.25Å; L44-I110 HydrophobicContact CD1-CG2 4.15Å; L44-I110 HydrophobicContact CD2-CD1 3.44Å; L44-I110 VanDerWaalsContact CD2-CD1 3.44Å; L44-I110 HydrophobicContact CD2-CG1 4.08Å; L44-I110 HydrophobicContact CG-CD1 4.33Å; Q48-I110 HydrophobicContact CB-CD1 4Å; Q48-I110 HydrophobicContact CG-CD1 3.89Å; Q52-I110 HydrophobicContact CB-CG2 3.52Å; Q52-I110 HydrophobicContact CG-CG2 4.02Å; L106-I110 HydrophobicContact CD1-CD1 4.14Å; L106-I110 HydrophobicContact CD1-CG1 4.44Å; L106-I110 HydrophobicContact CG-CD1 3.98Å; L106-I110 WeakPolarHBondContact O-CD1 3.47Å; L106-I110 VanDerWaalsContact O-CG1 3.3Å; L106-I110 WeakPolarHBondContact O-CG1 3.42Å; L106-I110 PolarHBondContact O-N 2.76Å; D107-I110 WeakPolarHBondContact O-CB 3.32Å; D107-I110 PolarHBondContact O-N 3.38Å; T108-I110 VanDerWaalsContact C-N 3.31Å; T108-I110 PolarHBondContact O-N 2.92Å; I110-E113 PolarHBondContact O-N 3.31Å; I110-A114 PolarHBondContact O-N 3.42Å; I110-A114 VanDerWaalsContact O-N 3.09Å
111	I	98.9	Very high	98.8	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-63.6	-48.2	178.3	-69	163.9	0	0	0	110.4	F51 A55 F89 I92 L103 D107 T108 E113 A114 L115	F51-I111 HydrophobicContact CB-CD1 4.35Å; F51-I111 HydrophobicContact CB-CG1 4.17Å; A55-I111 HydrophobicContact CB-CB 4.5Å; A55-I111 HydrophobicContact CB-CG2 4.15Å; F89-I111 HydrophobicContact CD1-CD1 4.28Å; F89-I111 HydrophobicContact CD1-CG2 3.72Å; F89-I111 HydrophobicContact CE1-CD1 3.95Å; F89-I111 HydrophobicContact CE1-CG1 4.17Å; F89-I111 HydrophobicContact CE1-CG2 3.71Å; F89-I111 HydrophobicContact CG-CG2 4.18Å; F89-I111 HydrophobicContact CZ-CG2 4.15Å; I92-I111 HydrophobicContact CD1-CB 4.37Å; I92-I111 HydrophobicContact CD1-CD1 4.5Å; I92-I111 HydrophobicContact CD1-CG2 3.79Å; I92-I111 HydrophobicContact CG2-CD1 4.06Å; L103-I111 HydrophobicContact CD1-CD1 3.73Å; D107-I111 WeakPolarHBondContact O-CG1 3.46Å; D107-I111 PolarHBondContact O-N 2.77Å; T108-I111 PolarHBondContact O-N 3.36Å; I111-E113 PolarHBondContact O-N 3.36Å; I111-A114 PolarHBondContact O-N 3.22Å; I111-L115 HydrophobicContact CG2-CD1 3.77Å; I111-L115 HydrophobicContact CG2-CG 4.21Å; I111-L115 WeakPolarHBondContact O-CG 3.47Å; I111-L115 PolarHBondContact O-N 2.93Å
112	F	98.9	Very high	98.8	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-68	-32.5	179.5	-70.9	-35.2	0	0	0	113.6	I92 T108 L115 S116 T123 I126 S127 N130 N282	I92-F112 HydrophobicContact CD1-CD1 4.28Å; I92-F112 HydrophobicContact CD1-CE1 3.59Å; I92-F112 HydrophobicContact CD1-CE2 4.36Å; I92-F112 HydrophobicContact CD1-CZ 3.63Å; T108-F112 HydrophobicContact CG2-CD2 3.59Å; T108-F112 HydrophobicContact CG2-CE2 3.31Å; T108-F112 HydrophobicContact CG2-CZ 4.19Å; T108-F112 WeakPolarHBondContact O-CD2 3.47Å; T108-F112 PolarHBondContact O-N 2.78Å; F112-L115 HydrophobicContact CD1-CD1 4.32Å; F112-S116 WeakPolarHBondContact O-CB 3.36Å; F112-S116 PolarHBondContact O-N 2.85Å; F112-S116 VanDerWaalsContact O-N 3.1Å; F112-S116 PolarHBondContact O-OG 2.97Å; F112-T123 HydrophobicContact CB-CG2 4.16Å; F112-T123 HydrophobicContact CD1-CG2 3.68Å; F112-T123 HydrophobicContact CG-CG2 4.28Å; F112-I126 HydrophobicContact CE1-CG2 3.91Å; F112-S127 WeakPolarHBondContact CE2-OG 3.32Å; F112-N130 HydrophobicContact CZ-CB 4.38Å; F112-N282 HydrophobicContact CD2-CB 3.76Å; F112-N282 HydrophobicContact CE2-CB 4Å
113	E	98.9	Very high	98.9	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-58.3	-49.9	169.6	178.6	-177.8	-172.3	0	0	110.6	S109 I110 I111 S116 S285 L288 G289 R333 R337	S109-E113 VanDerWaalsContact O-CB 3.31Å; S109-E113 WeakPolarHBondContact O-CB 3.37Å; S109-E113 PolarHBondContact O-N 3.46Å; I110-E113 PolarHBondContact O-N 3.31Å; I111-E113 PolarHBondContact O-N 3.36Å; E113-S116 PolarHBondContact O-N 3.41Å; E113-S285 WeakPolarHBondContact CA-O 3.32Å; E113-L288 HydrophobicContact CG-CB 4.41Å; E113-L288 HydrophobicContact CG-CD2 3.92Å; E113-L288 HydrophobicContact CG-CG 4.06Å; E113-L288 VanDerWaalsContact OE1-CD2 3.29Å; E113-L288 WeakPolarHBondContact OE1-CD2 3.38Å; E113-L288 WeakPolarHBondContact OE1-CG 3.11Å; E113-G289 WeakPolarHBondContact O-CA 3.07Å; E113-R333 IonicContact OE1-CZ 3.45Å; E113-R333 IonicContact OE1-NE 3.22Å; E113-R333 PolarHBondContact OE1-NE 2.91Å; E113-R333 IonicContact OE1-NH2 3.36Å; E113-R333 PolarHBondContact OE1-NH2 2.97Å; E113-R333 IonicContact OE2-NE 3.47Å; E113-R337 IonicContact OE2-CZ 2.78Å; E113-R337 IonicContact OE2-NH2 3.07Å; E113-R337 PolarHBondContact OE2-NH2 3.36Å
114	A	98.9	Very high	98.9	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-65.3	-49.5	-178.8	0	0	0	0	0	112.6	A55 F56 I110 I111 S116 T117	A55-A114 HydrophobicContact CB-CB 3.6Å; F56-A114 HydrophobicContact CB-CB 4.45Å; F56-A114 HydrophobicContact CD1-CB 4.1Å; F56-A114 HydrophobicContact CD2-CB 3.61Å; F56-A114 HydrophobicContact CE1-CB 4.26Å; F56-A114 HydrophobicContact CE2-CB 3.76Å; F56-A114 HydrophobicContact CG-CB 3.78Å; F56-A114 HydrophobicContact CZ-CB 4.08Å; I110-A114 PolarHBondContact O-N 3.42Å; I110-A114 VanDerWaalsContact O-N 3.09Å; I111-A114 PolarHBondContact O-N 3.22Å; A114-S116 VanDerWaalsContact C-N 3.25Å; A114-S116 PolarHBondContact O-N 2.95Å; A114-T117 WeakPolarHBondContact O-CB 3.12Å; A114-T117 PolarHBondContact O-N 3.16Å; A114-T117 VanDerWaalsContact O-N 3.11Å; A114-T117 PolarHBondContact O-OG1 3.36Å
115	L	98.9	Very high	98.9	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-58.7	-36.7	178.6	-69.2	176.8	0	0	0	112.5	A55 F58 M63 F89 I111 F112 T117 G118 C119 T123	A55-L115 HydrophobicContact CB-CD2 4.27Å; A55-L115 HydrophobicContact CB-CG 4.22Å; F58-L115 HydrophobicContact CD1-CD2 3.68Å; F58-L115 HydrophobicContact CE1-CD2 4.44Å; M63-L115 HydrophobicContact SD-CB 4.36Å; M63-L115 HydrophobicContact SD-CD2 3.87Å; F89-L115 HydrophobicContact CD2-CD1 4.11Å; F89-L115 HydrophobicContact CD2-CD2 4.21Å; F89-L115 HydrophobicContact CE2-CD2 4.16Å; F89-L115 HydrophobicContact CG-CD1 4.41Å; I111-L115 HydrophobicContact CG2-CD1 3.77Å; I111-L115 HydrophobicContact CG2-CG 4.21Å; I111-L115 WeakPolarHBondContact O-CG 3.47Å; I111-L115 PolarHBondContact O-N 2.93Å; F112-L115 HydrophobicContact CD1-CD1 4.32Å; L115-T117 PolarHBondContact O-N 2.96Å; L115-G118 PolarHBondContact O-N 3.36Å; L115-C119 PolarHBondContact O-N 2.79Å; L115-T123 HydrophobicContact CB-CG2 3.59Å; L115-T123 WeakPolarHBondContact CB-OG1 3.37Å; L115-T123 HydrophobicContact CD1-CG2 4.37Å; L115-T123 PolarHBondContact O-OG1 3.28Å
116	S	98.9	Very high	98.9	Very high	0 Å²	0	3.7 Å²	3.7	0%	0	2%	0.022	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-12.2	-179	-64	0	0	0	0	114.2	F112 E113 A114 G118 V120 T123 C286	F112-S116 WeakPolarHBondContact O-CB 3.36Å; F112-S116 PolarHBondContact O-N 2.85Å; F112-S116 VanDerWaalsContact O-N 3.1Å; F112-S116 PolarHBondContact O-OG 2.97Å; E113-S116 PolarHBondContact O-N 3.41Å; A114-S116 VanDerWaalsContact C-N 3.25Å; A114-S116 PolarHBondContact O-N 2.95Å; S116-G118 VanDerWaalsContact C-N 3.25Å; S116-V120 WeakPolarHBondContact O-CG2 3.49Å; S116-T123 PolarHBondContact N-OG1 3.04Å; S116-T123 WeakPolarHBondContact OG-CB 3.31Å; S116-T123 VanDerWaalsContact OG-CG2 3.23Å; S116-T123 WeakPolarHBondContact OG-CG2 3.1Å; S116-C286 WeakPolarHBondContact CB-O 3.48Å; S116-C286 WeakPolarHBondContact OG-CA 3.45Å; S116-C286 WeakPolarHBondContact OG-CB 3.34Å; S116-C286 PolarHBondContact OG-SG 3.49Å
117	T	98.9	Very high	98.9	Very high	28 Å²	28	3.1 Å²	3.1	17%	0.172	2%	0.019	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-20.9	169	69.9	0	0	0	0	113	F56 A114 L115 G289 A293	F56-T117 HydrophobicContact CD1-CG2 4.36Å; F56-T117 HydrophobicContact CE1-CG2 3.51Å; F56-T117 HydrophobicContact CZ-CG2 4.25Å; A114-T117 WeakPolarHBondContact O-CB 3.12Å; A114-T117 PolarHBondContact O-N 3.16Å; A114-T117 VanDerWaalsContact O-N 3.11Å; A114-T117 PolarHBondContact O-OG1 3.36Å; L115-T117 PolarHBondContact O-N 2.96Å; T117-G289 WeakPolarHBondContact CG2-O 3.12Å; T117-A293 HydrophobicContact CG2-CB 4.32Å
118	G	98.8	Very high	98.9	Very high	1 Å²	1	3.2 Å²	3.2	1%	0.01	2%	0.02	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-54	175.7	0	0	0	0	0	113.1	L115 S116	L115-G118 PolarHBondContact O-N 3.36Å; S116-G118 VanDerWaalsContact C-N 3.25Å
119	C	98.9	Very high	98.9	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.02	C	C	.	.			trans	-156.6	107	175.4	180	0	0	0	0	111.1	M63 M67 W70 L115 S121 T122 T123	M63-C119 HydrophobicContact CB-CB 4.33Å; M63-C119 HydrophobicContact CE-CB 3.87Å; M67-C119 HydrophobicContact CB-CB 4.21Å; M67-C119 HydrophobicContact CG-CB 3.96Å; M67-C119 HydrophobicContact SD-CB 4.42Å; W70-C119 HydrophobicContact CZ3-CB 4.41Å; L115-C119 PolarHBondContact O-N 2.79Å; C119-S121 PolarHBondContact O-N 2.91Å; C119-T122 PolarHBondContact O-N 2.81Å; C119-T122 PolarHBondContact SG-OG1 2.91Å; C119-T123 PolarHBondContact O-N 3.26Å; C119-T123 PolarHBondContact O-OG1 3.25Å
120	V	98.9	Very high	98.9	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-58.8	-47	-179.9	176.2	0	0	0	0	111.7	S116 T122 T123 A124 C286 A290 F390 D393 I394 H397	S116-V120 WeakPolarHBondContact O-CG2 3.49Å; V120-T122 VanDerWaalsContact C-N 3.3Å; V120-T122 PolarHBondContact O-N 3.26Å; V120-T123 PolarHBondContact O-N 2.68Å; V120-A124 VanDerWaalsContact O-CB 3.32Å; V120-A124 WeakPolarHBondContact O-CB 3.36Å; V120-A124 PolarHBondContact O-N 2.66Å; V120-C286 HydrophobicContact CG1-CB 4.49Å; V120-A290 HydrophobicContact CG2-CB 3.56Å; V120-F390 HydrophobicContact CG2-CD1 3.71Å; V120-F390 HydrophobicContact CG2-CE1 4.07Å; V120-D393 HydrophobicContact CB-CB 3.85Å; V120-D393 HydrophobicContact CG1-CB 3.87Å; V120-I394 HydrophobicContact CG1-CG2 3.84Å; V120-I394 HydrophobicContact CG2-CG2 4.16Å; V120-H397 VanDerWaalsContact CG1-CE1 3.42Å; V120-H397 WeakPolarHBondContact CG1-CE1 3.42Å
121	S	98.9	Very high	98.9	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-56.2	-43.4	-179.3	176.1	0	0	0	0	112.4	C119 Y125 W241 C243 Q244 D393	C119-S121 PolarHBondContact O-N 2.91Å; S121-Y125 PolarHBondContact O-N 2.83Å; S121-W241 VanDerWaalsContact OG-C 3.26Å; S121-W241 WeakPolarHBondContact OG-CA 3.34Å; S121-C243 VanDerWaalsContact CB-SG 3.52Å; S121-C243 PolarHBondContact OG-N 3.47Å; S121-C243 PolarHBondContact OG-SG 3.19Å; S121-Q244 PolarHBondContact O-NE2 3.41Å; S121-D393 PolarHBondContact N-OD2 3.01Å
122	T	98.9	Very high	98.9	Very high	1 Å²	1	3.4 Å²	3.4	1%	0.006	2%	0.02	C	C	.	.	H	α-helix	trans	-70.2	-46.7	178.5	-54.1	0	0	0	0	110.9	M63 P77 M81 C119 V120 A124 Y125 I126 C243	M63-T122 HydrophobicContact CE-CG2 4.09Å; P77-T122 HydrophobicContact CG-CG2 3.7Å; M81-T122 HydrophobicContact CG-CG2 3.91Å; M81-T122 HydrophobicContact SD-CG2 4.19Å; C119-T122 PolarHBondContact O-N 2.81Å; C119-T122 PolarHBondContact SG-OG1 2.91Å; V120-T122 VanDerWaalsContact C-N 3.3Å; V120-T122 PolarHBondContact O-N 3.26Å; T122-A124 VanDerWaalsContact C-N 3.34Å; T122-A124 PolarHBondContact O-N 2.92Å; T122-Y125 WeakPolarHBondContact O-CB 3.49Å; T122-Y125 PolarHBondContact O-N 2.78Å; T122-Y125 VanDerWaalsContact O-N 3.15Å; T122-I126 HydrophobicContact CG2-CD1 4.19Å; T122-I126 WeakPolarHBondContact O-CG1 3.3Å; T122-I126 PolarHBondContact O-N 3.48Å; T122-C243 PolarHBondContact N-SG 3.02Å; T122-C243 VanDerWaalsContact N-SG 3.44Å; T122-C243 PolarHBondContact OG1-SG 3.02Å
123	T	98.9	Very high	98.9	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-62.3	-41.4	-179.4	-54.6	0	0	0	0	112.3	M63 F112 L115 S116 C119 V120 Y125 I126 S127	M63-T123 VanDerWaalsContact CE-OG1 3.3Å; M63-T123 WeakPolarHBondContact CE-OG1 3.23Å; F112-T123 HydrophobicContact CB-CG2 4.16Å; F112-T123 HydrophobicContact CD1-CG2 3.68Å; F112-T123 HydrophobicContact CG-CG2 4.28Å; L115-T123 HydrophobicContact CB-CG2 3.59Å; L115-T123 WeakPolarHBondContact CB-OG1 3.37Å; L115-T123 HydrophobicContact CD1-CG2 4.37Å; L115-T123 PolarHBondContact O-OG1 3.28Å; S116-T123 PolarHBondContact N-OG1 3.04Å; S116-T123 WeakPolarHBondContact OG-CB 3.31Å; S116-T123 VanDerWaalsContact OG-CG2 3.23Å; S116-T123 WeakPolarHBondContact OG-CG2 3.1Å; C119-T123 PolarHBondContact O-N 3.26Å; C119-T123 PolarHBondContact O-OG1 3.25Å; V120-T123 PolarHBondContact O-N 2.68Å; T123-Y125 VanDerWaalsContact C-N 3.28Å; T123-Y125 PolarHBondContact O-N 3.39Å; T123-I126 PolarHBondContact O-N 3.26Å; T123-S127 PolarHBondContact O-N 2.75Å
124	A	98.9	Very high	98.9	Very high	4 Å²	4	4.8 Å²	4.8	3%	0.033	3%	0.026	C	C	.	.	H	α-helix	trans	-62.1	-37.2	176.4	0	0	0	0	0	112	V120 T122 S127 I128 W241	V120-A124 VanDerWaalsContact O-CB 3.32Å; V120-A124 WeakPolarHBondContact O-CB 3.36Å; V120-A124 PolarHBondContact O-N 2.66Å; T122-A124 VanDerWaalsContact C-N 3.34Å; T122-A124 PolarHBondContact O-N 2.92Å; A124-S127 WeakPolarHBondContact O-CB 3.39Å; A124-S127 PolarHBondContact O-N 3.01Å; A124-I128 WeakPolarHBondContact O-CG1 3.47Å; A124-I128 PolarHBondContact O-N 3.39Å; A124-I128 VanDerWaalsContact O-N 3.09Å; A124-W241 HydrophobicContact CB-CH2 3.75Å; A124-W241 HydrophobicContact CB-CZ2 3.25Å
125	Y	98.9	Very high	98.9	Very high	1 Å²	1	4.8 Å²	4.8	0%	0.004	3%	0.026	C	C	.	.	H	α-helix	trans	-66.3	-44.7	172.6	174.8	-93.4	0	0	0	112.3	F76 M81 S121 T122 T123 S127 I128 H129 F158 A159 T201 Q244	F76-Y125 AromaticContact CE2-CD1 3.62Å; F76-Y125 HydrophobicContact CE2-CD1 3.62Å; F76-Y125 HydrophobicContact CE2-CD2 4.12Å; F76-Y125 AromaticContact CE2-CE1 3.5Å; F76-Y125 HydrophobicContact CE2-CE1 3.5Å; F76-Y125 VanDerWaalsContact CE2-CE1 3.5Å; F76-Y125 HydrophobicContact CE2-CE2 4.04Å; F76-Y125 AromaticContact CE2-CG 3.95Å; F76-Y125 HydrophobicContact CE2-CG 3.95Å; F76-Y125 AromaticContact CE2-CZ 3.75Å; F76-Y125 HydrophobicContact CZ-CD1 4.01Å; F76-Y125 AromaticContact CZ-CE1 3.37Å; F76-Y125 HydrophobicContact CZ-CE1 3.37Å; F76-Y125 HydrophobicContact CZ-CE2 4.07Å; F76-Y125 AromaticContact CZ-CZ 3.44Å; F76-Y125 VanDerWaalsContact CZ-CZ 3.44Å; M81-Y125 HydrophobicContact CE-CD1 4.23Å; M81-Y125 HydrophobicContact CE-CE1 4.12Å; M81-Y125 HydrophobicContact SD-CD1 3.39Å; M81-Y125 WeakPolarHBondContact SD-CD1 3.27Å; M81-Y125 HydrophobicContact SD-CE1 3.71Å; S121-Y125 PolarHBondContact O-N 2.83Å; T122-Y125 WeakPolarHBondContact O-CB 3.49Å; T122-Y125 PolarHBondContact O-N 2.78Å; T122-Y125 VanDerWaalsContact O-N 3.15Å; T123-Y125 VanDerWaalsContact C-N 3.28Å; T123-Y125 PolarHBondContact O-N 3.39Å; Y125-S127 PolarHBondContact O-N 3.13Å; Y125-I128 PolarHBondContact O-N 2.97Å; Y125-I128 VanDerWaalsContact O-N 3.09Å; Y125-H129 HydrophobicContact CE1-CB 4.39Å; Y125-H129 PolarHBondContact O-N 3.46Å; Y125-F158 AromaticContact CE1-CD1 3.91Å; Y125-F158 HydrophobicContact CE1-CD1 3.91Å; Y125-F158 HydrophobicContact CE1-CE1 4.5Å; Y125-F158 WeakPolarHBondContact OH-CB 3.41Å; Y125-A159 PolarHBondContact OH-O 3.49Å; Y125-T201 HydrophobicContact CE2-CG2 4.23Å; Y125-T201 WeakPolarHBondContact OH-CG2 3.43Å; Y125-Q244 HydrophobicContact CD2-CB 4.28Å; Y125-Q244 HydrophobicContact CG-CB 4.39Å
126	I	98.9	Very high	98.9	Very high	1 Å²	1	4.8 Å²	4.8	1%	0.005	3%	0.026	C	C	.	.	H	α-helix	trans	-56	-37.7	174.2	-65.5	169.9	0	0	0	110.3	M81 A84 F89 F112 T122 T123 H129 N130 M155	M81-I126 HydrophobicContact CG-CD1 4.22Å; M81-I126 HydrophobicContact CG-CG1 4.14Å; M81-I126 HydrophobicContact SD-CG1 4.22Å; A84-I126 HydrophobicContact CB-CD1 4.42Å; F89-I126 WeakPolarHBondContact O-CG2 3.25Å; F112-I126 HydrophobicContact CE1-CG2 3.91Å; T122-I126 HydrophobicContact CG2-CD1 4.19Å; T122-I126 WeakPolarHBondContact O-CG1 3.3Å; T122-I126 PolarHBondContact O-N 3.48Å; T123-I126 PolarHBondContact O-N 3.26Å; I126-H129 WeakPolarHBondContact O-CB 3.46Å; I126-H129 PolarHBondContact O-N 3.17Å; I126-N130 WeakPolarHBondContact O-CB 3.34Å; I126-N130 PolarHBondContact O-N 3.24Å; I126-N130 PolarHBondContact O-ND2 3.06Å; I126-M155 HydrophobicContact CB-CE 4.33Å; I126-M155 HydrophobicContact CG1-CE 4.06Å; I126-M155 HydrophobicContact CG2-CE 3.9Å
127	S	98.9	Very high	98.9	Very high	10 Å²	10	4.9 Å²	4.9	7%	0.07	3%	0.026	C	C	.	.	H	α-helix	trans	-64.2	-45.1	175.3	-170.3	0	0	0	0	113.4	F112 T123 A124 Y125 H129 N130 M131 N282	F112-S127 WeakPolarHBondContact CE2-OG 3.32Å; T123-S127 PolarHBondContact O-N 2.75Å; A124-S127 WeakPolarHBondContact O-CB 3.39Å; A124-S127 PolarHBondContact O-N 3.01Å; Y125-S127 PolarHBondContact O-N 3.13Å; S127-H129 VanDerWaalsContact C-N 3.31Å; S127-H129 PolarHBondContact O-N 3.42Å; S127-N130 PolarHBondContact O-N 3.09Å; S127-M131 PolarHBondContact O-N 3.02Å; S127-N282 WeakPolarHBondContact OG-CB 3.35Å; S127-N282 PolarHBondContact OG-ND2 3.22Å; S127-N282 VanDerWaalsContact OG-ND2 3.12Å
128	I	98.9	Very high	98.9	Very high	22 Å²	22	6.4 Å²	6.4	11%	0.113	4%	0.036	C	C	.	.	H	α-helix	trans	-62.2	-41.9	175.7	-67.1	165.1	0	0	0	110.7	A124 Y125 M131 C132 W241	A124-I128 WeakPolarHBondContact O-CG1 3.47Å; A124-I128 PolarHBondContact O-N 3.39Å; A124-I128 VanDerWaalsContact O-N 3.09Å; Y125-I128 PolarHBondContact O-N 2.97Å; Y125-I128 VanDerWaalsContact O-N 3.09Å; I128-M131 WeakPolarHBondContact O-CB 3.15Å; I128-M131 PolarHBondContact O-N 3.41Å; I128-C132 PolarHBondContact O-N 2.93Å; I128-C132 PolarHBondContact O-SG 3.22Å; I128-W241 HydrophobicContact CD1-CH2 4.33Å; I128-W241 HydrophobicContact CD1-CZ3 4.11Å
129	H	98.9	Very high	98.9	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-57.9	-50.1	174.4	172.4	103	0	0	0	111	G90 Y125 I126 S127 M131 C132 A133 L152 M155 K157 A159	G90-H129 PolarHBondContact O-CD2 3.38Å; G90-H129 PolarHBondContact O-NE2 3.33Å; Y125-H129 HydrophobicContact CE1-CB 4.39Å; Y125-H129 PolarHBondContact O-N 3.46Å; I126-H129 WeakPolarHBondContact O-CB 3.46Å; I126-H129 PolarHBondContact O-N 3.17Å; S127-H129 VanDerWaalsContact C-N 3.31Å; S127-H129 PolarHBondContact O-N 3.42Å; H129-M131 VanDerWaalsContact C-N 3.26Å; H129-M131 PolarHBondContact O-N 3.46Å; H129-C132 WeakPolarHBondContact O-CB 3.43Å; H129-C132 PolarHBondContact O-N 3.38Å; H129-A133 PolarHBondContact O-N 2.92Å; H129-L152 PolarHBondContact CE1-O 2.88Å; H129-L152 VanDerWaalsContact CE1-O 3.31Å; H129-L152 PolarHBondContact NE2-O 3.27Å; H129-M155 HydrophobicContact CB-CE 4.4Å; H129-K157 PolarHBondContact CE1-O 2.97Å; H129-A159 PolarHBondContact ND1-N 3.49Å
130	N	98.9	Very high	98.8	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-60.4	-35.1	177.2	-88.6	-98.5	0	0	0	112.1	F89 G90 G91 I92 Y93 F112 I126 S127 W134	F89-N130 PolarHBondContact O-ND2 3.02Å; G90-N130 PolarHBondContact O-ND2 3.39Å; G90-N130 PolarHBondContact O-OD1 3.07Å; G91-N130 WeakPolarHBondContact CA-OD1 3.47Å; I92-N130 PolarHBondContact N-OD1 3.34Å; Y93-N130 HydrophobicContact CE1-CB 3.71Å; Y93-N130 VanDerWaalsContact OH-C 3.24Å; Y93-N130 PolarHBondContact OH-O 3.26Å; F112-N130 HydrophobicContact CZ-CB 4.38Å; I126-N130 WeakPolarHBondContact O-CB 3.34Å; I126-N130 PolarHBondContact O-N 3.24Å; I126-N130 PolarHBondContact O-ND2 3.06Å; S127-N130 PolarHBondContact O-N 3.09Å; N130-W134 VanDerWaalsContact O-CB 3.26Å; N130-W134 WeakPolarHBondContact O-CB 3.37Å; N130-W134 PolarHBondContact O-N 3.49Å
131	M	98.9	Very high	98.8	Very high	3 Å²	3	12.3 Å²	12.3	2%	0.015	7%	0.068	C	C	.	.	H	α-helix	trans	-63.9	-40.6	174.1	-177.5	178.5	67.9	0	0	111.7	Y93 S127 I128 H129 M135 Y161	Y93-M131 VanDerWaalsContact OH-CA 3.27Å; Y93-M131 WeakPolarHBondContact OH-CA 3.5Å; Y93-M131 PolarHBondContact OH-N 3.16Å; S127-M131 PolarHBondContact O-N 3.02Å; I128-M131 WeakPolarHBondContact O-CB 3.15Å; I128-M131 PolarHBondContact O-N 3.41Å; H129-M131 VanDerWaalsContact C-N 3.26Å; H129-M131 PolarHBondContact O-N 3.46Å; M131-M135 HydrophobicContact CE-CE 4.42Å; M131-M135 HydrophobicContact CG-CE 3.9Å; M131-M135 WeakPolarHBondContact O-CG 3.41Å; M131-M135 PolarHBondContact O-N 2.86Å; M131-M135 HydrophobicContact SD-CE 4.02Å; M131-Y161 HydrophobicContact CE-CD1 3.44Å; M131-Y161 VanDerWaalsContact CE-CD1 3.44Å; M131-Y161 HydrophobicContact CE-CD2 4.15Å; M131-Y161 HydrophobicContact CE-CE1 3.98Å; M131-Y161 HydrophobicContact CE-CG 3.52Å
132	C	98.9	Very high	98.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-65.3	-48.7	176.6	-62	0	0	0	0	111.5	I128 H129 W134 M135 I136 A159 S160 V205	I128-C132 PolarHBondContact O-N 2.93Å; I128-C132 PolarHBondContact O-SG 3.22Å; H129-C132 WeakPolarHBondContact O-CB 3.43Å; H129-C132 PolarHBondContact O-N 3.38Å; C132-W134 VanDerWaalsContact C-N 3.3Å; C132-W134 PolarHBondContact O-N 2.97Å; C132-M135 PolarHBondContact O-N 3.01Å; C132-I136 WeakPolarHBondContact O-CG1 3.44Å; C132-I136 PolarHBondContact O-N 2.89Å; C132-I136 VanDerWaalsContact O-N 3.11Å; C132-A159 HydrophobicContact CB-CB 3.47Å; C132-A159 VanDerWaalsContact CB-CB 3.47Å; C132-S160 VanDerWaalsContact SG-C 3.57Å; C132-V205 HydrophobicContact CB-CG2 3.8Å
133	A	98.9	Very high	98.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-57.4	-44.6	176.7	0	0	0	0	0	111.3	H129 M135 I136 D137 L152	H129-A133 PolarHBondContact O-N 2.92Å; A133-M135 PolarHBondContact O-N 3.43Å; A133-I136 PolarHBondContact O-N 3.35Å; A133-D137 WeakPolarHBondContact O-CB 3.42Å; A133-D137 PolarHBondContact O-N 3.03Å; A133-L152 HydrophobicContact CB-CB 4.15Å; A133-L152 HydrophobicContact CB-CD1 4.18Å
134	W	98.8	Very high	98.7	Very high	30 Å²	30	24.3 Å²	24.3	11%	0.114	13%	0.128	C	C	.	.	H	α-helix	trans	-64.7	-37	176.5	170.3	82.6	0	0	0	114	Y93 N130 C132 I136 D137 T138 F139 K274	Y93-W134 HydrophobicContact CD2-CB 3.71Å; Y93-W134 AromaticContact CD2-CD1 3.47Å; Y93-W134 VanDerWaalsContact CD2-CD1 3.47Å; Y93-W134 AromaticContact CD2-CG 3.64Å; Y93-W134 HydrophobicContact CD2-CG 3.64Å; Y93-W134 HydrophobicContact CE2-CB 3.25Å; Y93-W134 AromaticContact CE2-CD1 3.73Å; Y93-W134 HydrophobicContact CE2-CD2 4.18Å; Y93-W134 AromaticContact CE2-CG 3.39Å; Y93-W134 HydrophobicContact CE2-CG 3.39Å; N130-W134 VanDerWaalsContact O-CB 3.26Å; N130-W134 WeakPolarHBondContact O-CB 3.37Å; N130-W134 PolarHBondContact O-N 3.49Å; C132-W134 VanDerWaalsContact C-N 3.3Å; C132-W134 PolarHBondContact O-N 2.97Å; W134-I136 VanDerWaalsContact C-N 3.34Å; W134-D137 PolarHBondContact O-N 3.42Å; W134-T138 HydrophobicContact CZ2-CG2 4.21Å; W134-T138 PolarHBondContact NE1-OG1 3.39Å; W134-T138 WeakPolarHBondContact O-CB 3.34Å; W134-T138 PolarHBondContact O-N 2.93Å; W134-T138 PolarHBondContact O-OG1 3.03Å; W134-F139 AromaticContact CH2-CE2 3.62Å; W134-F139 HydrophobicContact CH2-CE2 3.62Å; W134-F139 HydrophobicContact CH2-CZ 4.02Å; W134-F139 HydrophobicContact CZ2-CE2 4.23Å; W134-F139 HydrophobicContact CZ2-CZ 4.49Å; W134-F139 AromaticContact CZ3-CE2 3.88Å; W134-F139 HydrophobicContact CZ3-CE2 3.88Å; W134-K274 HydrophobicContact CH2-CB 3.83Å
135	M	98.9	Very high	98.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-63.1	-43.5	175.8	-77.4	-178.1	-178.1	0	0	110.8	M131 C132 A133 F139 Y161 V205 M207 I271	M131-M135 HydrophobicContact CE-CE 4.42Å; M131-M135 HydrophobicContact CG-CE 3.9Å; M131-M135 WeakPolarHBondContact O-CG 3.41Å; M131-M135 PolarHBondContact O-N 2.86Å; M131-M135 HydrophobicContact SD-CE 4.02Å; C132-M135 PolarHBondContact O-N 3.01Å; A133-M135 PolarHBondContact O-N 3.43Å; M135-F139 WeakPolarHBondContact O-CB 3.35Å; M135-F139 WeakPolarHBondContact O-CD2 3.24Å; M135-F139 PolarHBondContact O-N 3.5Å; M135-Y161 HydrophobicContact CE-CD2 4.23Å; M135-Y161 HydrophobicContact CE-CE2 3.71Å; M135-Y161 HydrophobicContact SD-CD2 4.13Å; M135-Y161 HydrophobicContact SD-CE2 3.89Å; M135-V205 HydrophobicContact SD-CG1 3.87Å; M135-M207 HydrophobicContact SD-CE 4.28Å; M135-I271 HydrophobicContact CB-CG2 4.35Å; M135-I271 HydrophobicContact CG-CG2 3.98Å; M135-I271 HydrophobicContact SD-CG2 4.04Å
136	I	98.9	Very high	98.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-67.2	-46.1	177.2	-61.4	166.6	0	0	0	110.3	C132 A133 W134 T138 G140 F148 L152 V203 V205 V222 L262	C132-I136 WeakPolarHBondContact O-CG1 3.44Å; C132-I136 PolarHBondContact O-N 2.89Å; C132-I136 VanDerWaalsContact O-N 3.11Å; A133-I136 PolarHBondContact O-N 3.35Å; W134-I136 VanDerWaalsContact C-N 3.34Å; I136-T138 PolarHBondContact O-N 3.2Å; I136-G140 WeakPolarHBondContact O-CA 3.19Å; I136-G140 PolarHBondContact O-N 2.98Å; I136-F148 HydrophobicContact CD1-CB 4.06Å; I136-F148 HydrophobicContact CD1-CG 4.42Å; I136-F148 HydrophobicContact CG2-CB 4.03Å; I136-F148 HydrophobicContact CG2-CD2 4.15Å; I136-L152 HydrophobicContact CD1-CD1 3.83Å; I136-V203 HydrophobicContact CD1-CG1 4.23Å; I136-V205 HydrophobicContact CD1-CG2 4.24Å; I136-V205 HydrophobicContact CG1-CG2 4.36Å; I136-V222 HydrophobicContact CD1-CG2 4.17Å; I136-V222 HydrophobicContact CG1-CG2 4.01Å; I136-L262 HydrophobicContact CB-CD1 4.48Å; I136-L262 HydrophobicContact CG1-CD1 3.88Å; I136-L262 HydrophobicContact CG1-CD2 4.45Å; I136-L262 HydrophobicContact CG2-CD2 4.43Å
137	D	98.8	Very high	98.7	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.011	18%	0.181	C	C	.	.	H	α-helix	trans	-59	-50.3	178	-176.9	30	0	0	0	111.2	T94 R95 A133 W134 R145	T94-D137 HydrophobicContact CG2-CB 3.9Å; R95-D137 WeakPolarHBondContact CB-OD2 3.4Å; R95-D137 VanDerWaalsContact CG-OD2 3.32Å; R95-D137 WeakPolarHBondContact CG-OD2 3.17Å; R95-D137 IonicContact CZ-OD1 3.6Å; R95-D137 VanDerWaalsContact CZ-OD1 3.23Å; R95-D137 IonicContact CZ-OD2 3.69Å; R95-D137 PolarHBondContact N-OD2 3.31Å; R95-D137 VanDerWaalsContact NE-CG 3.3Å; R95-D137 IonicContact NE-OD1 2.91Å; R95-D137 PolarHBondContact NE-OD1 3.45Å; R95-D137 IonicContact NE-OD2 2.69Å; R95-D137 PolarHBondContact NE-OD2 2.95Å; R95-D137 PolarHBondContact NH2-O 2.95Å; R95-D137 IonicContact NH2-OD1 3.03Å; R95-D137 PolarHBondContact NH2-OD1 3.05Å; R95-D137 IonicContact NH2-OD2 2.74Å; A133-D137 WeakPolarHBondContact O-CB 3.42Å; A133-D137 PolarHBondContact O-N 3.03Å; W134-D137 PolarHBondContact O-N 3.42Å; D137-R145 WeakPolarHBondContact O-CD 3.2Å; D137-R145 PolarHBondContact O-NE 3.17Å; D137-R145 IonicContact OD1-CZ 2.73Å; D137-R145 IonicContact OD1-NE 3.79Å; D137-R145 PolarHBondContact OD1-NE 2.97Å; D137-R145 IonicContact OD1-NH2 3.64Å; D137-R145 PolarHBondContact OD1-NH2 2.86Å
138	T	98.5	Very high	98.7	Very high	60 Å²	60	36.9 Å²	36.9	37%	0.368	18%	0.179	S	C	.	.	H	α-helix	trans	-74.8	-37.2	-170.7	-56.7	0	0	0	0	113.7	W134 I136	W134-T138 HydrophobicContact CZ2-CG2 4.21Å; W134-T138 PolarHBondContact NE1-OG1 3.39Å; W134-T138 WeakPolarHBondContact O-CB 3.34Å; W134-T138 PolarHBondContact O-N 2.93Å; W134-T138 PolarHBondContact O-OG1 3.03Å; I136-T138 PolarHBondContact O-N 3.2Å
139	F	98.7	Very high	98.7	Very high	41 Å²	41	35.9 Å²	35.9	18%	0.18	17%	0.173	C	C	.	.	H	α-helix	trans	-114.2	-5.8	-171.7	-55.9	-73.9	0	0	0	113.7	W134 M135 L262 G263 I271 K274	W134-F139 AromaticContact CH2-CE2 3.62Å; W134-F139 HydrophobicContact CH2-CE2 3.62Å; W134-F139 HydrophobicContact CH2-CZ 4.02Å; W134-F139 HydrophobicContact CZ2-CE2 4.23Å; W134-F139 HydrophobicContact CZ2-CZ 4.49Å; W134-F139 AromaticContact CZ3-CE2 3.88Å; W134-F139 HydrophobicContact CZ3-CE2 3.88Å; M135-F139 WeakPolarHBondContact O-CB 3.35Å; M135-F139 WeakPolarHBondContact O-CD2 3.24Å; M135-F139 PolarHBondContact O-N 3.5Å; F139-L262 HydrophobicContact CB-CB 4.45Å; F139-G263 PolarHBondContact O-N 3.34Å; F139-G263 VanDerWaalsContact O-N 3.13Å; F139-I271 HydrophobicContact CB-CD1 3.9Å; F139-I271 HydrophobicContact CB-CG1 4.26Å; F139-I271 HydrophobicContact CD1-CD1 4.39Å; F139-I271 HydrophobicContact CD1-CG1 3.94Å; F139-I271 HydrophobicContact CD2-CB 4.26Å; F139-I271 HydrophobicContact CD2-CD1 4.35Å; F139-I271 HydrophobicContact CD2-CG1 3.89Å; F139-I271 HydrophobicContact CD2-CG2 3.64Å; F139-I271 HydrophobicContact CE1-CG1 4.26Å; F139-I271 HydrophobicContact CE2-CB 4.35Å; F139-I271 HydrophobicContact CE2-CG1 4.22Å; F139-I271 HydrophobicContact CE2-CG2 3.88Å; F139-I271 HydrophobicContact CG-CD1 3.96Å; F139-I271 HydrophobicContact CG-CG1 3.75Å; F139-I271 HydrophobicContact CG-CG2 4.32Å; F139-I271 HydrophobicContact CZ-CG1 4.41Å; F139-K274 HydrophobicContact CE1-CD 4.06Å; F139-K274 HydrophobicContact CZ-CB 4.3Å; F139-K274 HydrophobicContact CZ-CD 3.6Å
140	G	98.4	Very high	98.7	Very high	14 Å²	14	38.2 Å²	38.2	14%	0.144	19%	0.189	C	C	.	.	S	Bend	trans	-80.3	155.8	173.6	0	0	0	0	0	112.4	I136	I136-G140 WeakPolarHBondContact O-CA 3.19Å; I136-G140 PolarHBondContact O-N 2.98Å
141	N	98.4	Very high	98.7	Very high	70 Å²	70	40 Å²	40	37%	0.374	20%	0.198	S	C	.	.			trans	-74.8	171.7	165.7	73.4	6.2	0	0	0	110.7	E143 Q144 R145	N141-E143 VanDerWaalsContact C-N 3.29Å; N141-E143 PolarHBondContact ND2-OE2 3.26Å; N141-E143 PolarHBondContact O-N 3.32Å; N141-E143 PolarHBondContact OD1-N 2.97Å; N141-Q144 PolarHBondContact O-N 2.91Å; N141-Q144 VanDerWaalsContact O-N 3.16Å; N141-Q144 WeakPolarHBondContact OD1-CB 3.39Å; N141-Q144 WeakPolarHBondContact OD1-CG 3.18Å; N141-Q144 PolarHBondContact OD1-N 3.03Å; N141-Q144 PolarHBondContact OD1-OE1 3.26Å; N141-R145 WeakPolarHBondContact O-CG 3.46Å; N141-R145 PolarHBondContact O-N 2.97Å
142	D	98.3	Very high	98.7	Very high	100 Å²	100	39.9 Å²	39.9	54%	0.535	20%	0.198	S	C	.	.	H	α-helix	trans	-59.3	-38.9	-175.3	-67.2	-32.8	0	0	0	112.9	Q144 R145 E146	D142-Q144 PolarHBondContact O-N 3.2Å; D142-R145 PolarHBondContact O-N 3.13Å; D142-R145 IonicContact OD1-NH1 2.67Å; D142-R145 PolarHBondContact OD1-NH1 3.02Å; D142-E146 WeakPolarHBondContact O-CB 3.2Å; D142-E146 WeakPolarHBondContact O-CG 3.38Å; D142-E146 PolarHBondContact O-N 3.29Å
143	E	98.3	Very high	98.7	Very high	142 Å²	142	40.2 Å²	40.2	66%	0.664	20%	0.2	S	C	*	.	H	α-helix	trans	-62.9	-41.6	177.7	-61.2	134	167.3	0	0	112.2	N141 R147	N141-E143 VanDerWaalsContact C-N 3.29Å; N141-E143 PolarHBondContact ND2-OE2 3.26Å; N141-E143 PolarHBondContact O-N 3.32Å; N141-E143 PolarHBondContact OD1-N 2.97Å; E143-R147 WeakPolarHBondContact O-CB 3.47Å; E143-R147 PolarHBondContact O-N 3.47Å
144	Q	98.7	Very high	98.6	Very high	11 Å²	11	43.1 Å²	43.1	5%	0.051	22%	0.22	C	C	.	.	H	α-helix	trans	-66.3	-42.6	176.2	-71.7	167	-25.2	0	0	111.2	N141 D142 R147 F148 T259 R261	N141-Q144 PolarHBondContact O-N 2.91Å; N141-Q144 VanDerWaalsContact O-N 3.16Å; N141-Q144 WeakPolarHBondContact OD1-CB 3.39Å; N141-Q144 WeakPolarHBondContact OD1-CG 3.18Å; N141-Q144 PolarHBondContact OD1-N 3.03Å; N141-Q144 PolarHBondContact OD1-OE1 3.26Å; D142-Q144 PolarHBondContact O-N 3.2Å; Q144-R147 PolarHBondContact O-N 3.32Å; Q144-F148 HydrophobicContact CB-CD2 4.4Å; Q144-F148 WeakPolarHBondContact O-CD2 3.41Å; Q144-F148 PolarHBondContact O-N 3.44Å; Q144-T259 PolarHBondContact NE2-O 3.38Å; Q144-R261 PolarHBondContact NE2-O 3.42Å
145	R	98.6	Very high	98.6	Very high	25 Å²	25	41.7 Å²	41.7	9%	0.094	21%	0.214	C	C	.	.	H	α-helix	trans	-63.1	-50.9	179.8	-65.5	172.8	60.1	-134.7	-2.9	110.9	R95 E97 V98 D137 N141 D142 R147 C149 P150	R95-R145 VanDerWaalsContact CZ-NH2 3.28Å; R95-R145 VanDerWaalsContact NH2-CZ 3.28Å; E97-R145 IonicContact OE2-NH2 3.17Å; V98-R145 HydrophobicContact CG1-CB 4.15Å; D137-R145 WeakPolarHBondContact O-CD 3.2Å; D137-R145 PolarHBondContact O-NE 3.17Å; D137-R145 IonicContact OD1-CZ 2.73Å; D137-R145 IonicContact OD1-NE 3.79Å; D137-R145 PolarHBondContact OD1-NE 2.97Å; D137-R145 IonicContact OD1-NH2 3.64Å; D137-R145 PolarHBondContact OD1-NH2 2.86Å; N141-R145 WeakPolarHBondContact O-CG 3.46Å; N141-R145 PolarHBondContact O-N 2.97Å; D142-R145 PolarHBondContact O-N 3.13Å; D142-R145 IonicContact OD1-NH1 2.67Å; D142-R145 PolarHBondContact OD1-NH1 3.02Å; R145-R147 VanDerWaalsContact C-N 3.3Å; R145-R147 PolarHBondContact O-N 3.05Å; R145-C149 WeakPolarHBondContact O-CB 3.37Å; R145-C149 PolarHBondContact O-N 2.92Å; R145-P150 WeakPolarHBondContact O-CD 3.5Å
146	E	98.4	Very high	98.6	Very high	137 Å²	137	47.3 Å²	47.3	64%	0.64	24%	0.241	S	C	*	.	H	α-helix	trans	-63.9	-35	178.9	-71.4	176.6	-178.8	0	0	112.3	D142 P150	D142-E146 WeakPolarHBondContact O-CB 3.2Å; D142-E146 WeakPolarHBondContact O-CG 3.38Å; D142-E146 PolarHBondContact O-N 3.29Å; E146-P150 WeakPolarHBondContact O-CD 3.48Å; E146-P150 WeakPolarHBondContact O-CG 3.48Å
147	R	98.4	Very high	98.6	Very high	115 Å²	115	50.3 Å²	50.3	43%	0.434	25%	0.254	S	S	.	.	H	α-helix	trans	-73.4	-41.7	-179.6	179.9	179	175.2	-156.6	-4.6	113.7	E143 Q144 R145 E224 N260	E143-R147 WeakPolarHBondContact O-CB 3.47Å; E143-R147 PolarHBondContact O-N 3.47Å; Q144-R147 PolarHBondContact O-N 3.32Å; R145-R147 VanDerWaalsContact C-N 3.3Å; R145-R147 PolarHBondContact O-N 3.05Å; R147-E224 IonicContact CZ-OE1 3.52Å; R147-E224 IonicContact CZ-OE2 3.97Å; R147-E224 IonicContact NH2-OE1 3.23Å; R147-E224 PolarHBondContact NH2-OE1 3.4Å; R147-E224 IonicContact NH2-OE2 2.92Å; R147-E224 PolarHBondContact NH2-OE2 3.24Å; R147-N260 PolarHBondContact NH1-OD1 3.17Å; R147-N260 VanDerWaalsContact NH1-OD1 3.16Å
148	F	98.8	Very high	98.6	Very high	3 Å²	3	50.5 Å²	50.5	1%	0.013	26%	0.255	C	S	.	.	H	α-helix	trans	-104.7	-42.2	-169.2	-65.5	-63.6	0	0	0	113.5	I136 Q144 L152 V203 V222 E224	I136-F148 HydrophobicContact CD1-CB 4.06Å; I136-F148 HydrophobicContact CD1-CG 4.42Å; I136-F148 HydrophobicContact CG2-CB 4.03Å; I136-F148 HydrophobicContact CG2-CD2 4.15Å; Q144-F148 HydrophobicContact CB-CD2 4.4Å; Q144-F148 WeakPolarHBondContact O-CD2 3.41Å; Q144-F148 PolarHBondContact O-N 3.44Å; F148-L152 VanDerWaalsContact O-CG 3.31Å; F148-L152 WeakPolarHBondContact O-CG 3.12Å; F148-L152 PolarHBondContact O-N 3.4Å; F148-V203 HydrophobicContact CD1-CG2 4.45Å; F148-V222 HydrophobicContact CD1-CG1 4.33Å; F148-V222 HydrophobicContact CD2-CG1 4.38Å; F148-V222 HydrophobicContact CE1-CG1 3.92Å; F148-V222 HydrophobicContact CE2-CB 4.25Å; F148-V222 HydrophobicContact CE2-CG1 3.98Å; F148-V222 HydrophobicContact CZ-CB 4.29Å; F148-V222 HydrophobicContact CZ-CG1 3.73Å; F148-E224 HydrophobicContact CE1-CG 4.05Å
149	C	98.8	Very high	98.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-64.4	-40.7	-168.5	-64.6	0	0	0	0	113.9	T94 V98 R145 D151 L152 C153	T94-C149 HydrophobicContact CG2-CB 4.49Å; V98-C149 HydrophobicContact CB-CB 3.71Å; V98-C149 HydrophobicContact CG2-CB 3.55Å; R145-C149 WeakPolarHBondContact O-CB 3.37Å; R145-C149 PolarHBondContact O-N 2.92Å; C149-D151 PolarHBondContact O-N 3.31Å; C149-L152 PolarHBondContact O-N 3.15Å; C149-L152 VanDerWaalsContact O-N 3.15Å; C149-C153 WeakPolarHBondContact O-CB 3.37Å; C149-C153 PolarHBondContact O-N 3.04Å; C149-C153 PolarHBondContact O-SG 3.15Å
150	P	98.8	Very high	98.7	Very high	50 Å²	50	45.7 Å²	45.7	33%	0.325	23%	0.229	S	C	.	.	H	α-helix	trans	-57.8	-46.7	-179.5	-27.9	36.6	0	0	0	113.7	R145 E146 L152 C153 S154	R145-P150 WeakPolarHBondContact O-CD 3.5Å; E146-P150 WeakPolarHBondContact O-CD 3.48Å; E146-P150 WeakPolarHBondContact O-CG 3.48Å; P150-L152 VanDerWaalsContact C-N 3.28Å; P150-L152 PolarHBondContact O-N 3.31Å; P150-C153 PolarHBondContact O-N 3.42Å; P150-S154 PolarHBondContact O-N 3.44Å; P150-S154 PolarHBondContact O-OG 3.43Å
151	D	98.8	Very high	98.7	Very high	38 Å²	38	46.2 Å²	46.2	20%	0.203	23%	0.226	C	C	.	.	H	α-helix	trans	-66.5	-31	179	-67	-3.6	0	0	0	112.3	C149 S154 M155 E156 K157	C149-D151 PolarHBondContact O-N 3.31Å; D151-S154 PolarHBondContact O-OG 3.15Å; D151-M155 PolarHBondContact O-N 3.49Å; D151-E156 HydrophobicContact CB-CB 4.46Å; D151-E156 PolarHBondContact O-N 2.93Å; D151-K157 HydrophobicContact CB-CB 3.99Å; D151-K157 HydrophobicContact CB-CD 3.97Å; D151-K157 HydrophobicContact CB-CG 4.04Å; D151-K157 PolarHBondContact O-N 3.14Å; D151-K157 WeakPolarHBondContact OD2-CD 3.46Å; D151-K157 WeakPolarHBondContact OD2-CE 3.35Å; D151-K157 IonicContact OD2-NZ 3.6Å; D151-K157 PolarHBondContact OD2-NZ 3.33Å
152	L	98.9	Very high	98.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-74.6	-48.1	175.7	-65.3	178.7	0	0	0	110.7	H129 A133 I136 F148 C149 P150 S154 M155 K157 A159 V203	H129-L152 PolarHBondContact CE1-O 2.88Å; H129-L152 VanDerWaalsContact CE1-O 3.31Å; H129-L152 PolarHBondContact NE2-O 3.27Å; A133-L152 HydrophobicContact CB-CB 4.15Å; A133-L152 HydrophobicContact CB-CD1 4.18Å; I136-L152 HydrophobicContact CD1-CD1 3.83Å; F148-L152 VanDerWaalsContact O-CG 3.31Å; F148-L152 WeakPolarHBondContact O-CG 3.12Å; F148-L152 PolarHBondContact O-N 3.4Å; C149-L152 PolarHBondContact O-N 3.15Å; C149-L152 VanDerWaalsContact O-N 3.15Å; P150-L152 VanDerWaalsContact C-N 3.28Å; P150-L152 PolarHBondContact O-N 3.31Å; L152-S154 VanDerWaalsContact C-N 3.26Å; L152-S154 PolarHBondContact O-N 3.01Å; L152-M155 WeakPolarHBondContact O-CA 3.5Å; L152-M155 PolarHBondContact O-N 3.09Å; L152-K157 HydrophobicContact CD2-CB 4.26Å; L152-A159 HydrophobicContact CD1-CB 4.41Å; L152-A159 HydrophobicContact CD2-CB 3.77Å; L152-V203 HydrophobicContact CD2-CB 4.35Å; L152-V203 HydrophobicContact CD2-CG2 4.17Å
153	C	98.9	Very high	98.7	Very high	7 Å²	7	38.7 Å²	38.7	5%	0.047	19%	0.186	C	C	.	.	H	α-helix	trans	-58.6	-36.8	178.8	-69.9	0	0	0	0	112.6	G90 G99 C149 P150 M155	G90-C153 WeakPolarHBondContact CA-O 3.33Å; G99-C153 VanDerWaalsContact O-CB 3.31Å; G99-C153 WeakPolarHBondContact O-CB 3.48Å; C149-C153 WeakPolarHBondContact O-CB 3.37Å; C149-C153 PolarHBondContact O-N 3.04Å; C149-C153 PolarHBondContact O-SG 3.15Å; P150-C153 PolarHBondContact O-N 3.42Å; C153-M155 VanDerWaalsContact C-N 3.31Å
154	S	98.7	Very high	98.7	Very high	60 Å²	60	34.1 Å²	34.1	42%	0.42	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-10.8	174.7	69.8	0	0	0	0	113.8	A85 P150 D151 L152 E156	A85-S154 WeakPolarHBondContact CB-O 3.45Å; P150-S154 PolarHBondContact O-N 3.44Å; P150-S154 PolarHBondContact O-OG 3.43Å; D151-S154 PolarHBondContact O-OG 3.15Å; L152-S154 VanDerWaalsContact C-N 3.26Å; L152-S154 PolarHBondContact O-N 3.01Å; S154-E156 PolarHBondContact O-N 3.2Å; S154-E156 WeakPolarHBondContact OG-CB 3.32Å; S154-E156 PolarHBondContact OG-N 2.82Å
155	M	98.8	Very high	98.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	31.5	-167	-66.3	-171.4	170	0	0	113.4	M81 R82 A85 I126 H129 D151 L152 C153 K157 F158	M81-M155 HydrophobicContact CB-SD 3.67Å; R82-M155 HydrophobicContact CG-CB 4.09Å; R82-M155 VanDerWaalsContact CG-O 3.27Å; R82-M155 WeakPolarHBondContact CG-O 3.44Å; R82-M155 PolarHBondContact NE-O 3.42Å; A85-M155 HydrophobicContact CB-CB 3.83Å; A85-M155 HydrophobicContact CB-CG 3.75Å; A85-M155 HydrophobicContact CB-SD 4.12Å; I126-M155 HydrophobicContact CB-CE 4.33Å; I126-M155 HydrophobicContact CG1-CE 4.06Å; I126-M155 HydrophobicContact CG2-CE 3.9Å; H129-M155 HydrophobicContact CB-CE 4.4Å; D151-M155 PolarHBondContact O-N 3.49Å; L152-M155 WeakPolarHBondContact O-CA 3.5Å; L152-M155 PolarHBondContact O-N 3.09Å; C153-M155 VanDerWaalsContact C-N 3.31Å; M155-K157 VanDerWaalsContact C-N 3.27Å; M155-F158 HydrophobicContact CB-CE1 3.87Å; M155-F158 HydrophobicContact CB-CZ 3.92Å; M155-F158 HydrophobicContact CG-CE1 4.09Å; M155-F158 WeakPolarHBondContact O-CE2 3.37Å; M155-F158 HydrophobicContact SD-CD1 4.47Å; M155-F158 HydrophobicContact SD-CE1 3.75Å; M155-F158 HydrophobicContact SD-CZ 4.5Å
156	E	98.6	Very high	98.7	Very high	119 Å²	119	38 Å²	38	56%	0.556	20%	0.196	S	C	*	.	S	Bend	trans	-60.4	-46.8	161.7	-178.5	173.5	166.3	0	0	109	R82 D151 S154	R82-E156 PolarHBondContact NH2-O 3.32Å; D151-E156 HydrophobicContact CB-CB 4.46Å; D151-E156 PolarHBondContact O-N 2.93Å; S154-E156 PolarHBondContact O-N 3.2Å; S154-E156 WeakPolarHBondContact OG-CB 3.32Å; S154-E156 PolarHBondContact OG-N 2.82Å
157	K	98.8	Very high	98.6	Very high	63 Å²	63	34.9 Å²	34.9	27%	0.274	20%	0.2	S	C	.	.	S	Bend	trans	-108	151.5	169.7	-71.8	179.5	-175.6	145.4	0	111.3	H129 D151 L152 M155 D202 V203	H129-K157 PolarHBondContact CE1-O 2.97Å; D151-K157 HydrophobicContact CB-CB 3.99Å; D151-K157 HydrophobicContact CB-CD 3.97Å; D151-K157 HydrophobicContact CB-CG 4.04Å; D151-K157 PolarHBondContact O-N 3.14Å; D151-K157 WeakPolarHBondContact OD2-CD 3.46Å; D151-K157 WeakPolarHBondContact OD2-CE 3.35Å; D151-K157 IonicContact OD2-NZ 3.6Å; D151-K157 PolarHBondContact OD2-NZ 3.33Å; L152-K157 HydrophobicContact CD2-CB 4.26Å; M155-K157 VanDerWaalsContact C-N 3.27Å; K157-D202 VanDerWaalsContact CA-OD2 3.32Å; K157-D202 WeakPolarHBondContact CA-OD2 3.27Å; K157-D202 HydrophobicContact CB-CB 3.95Å; K157-D202 HydrophobicContact CD-CB 4.2Å; K157-D202 HydrophobicContact CG-CB 3.92Å; K157-V203 HydrophobicContact CD-CG2 4.45Å
158	F	98.9	Very high	98.4	Very high	6 Å²	6	29.5 Å²	29.5	3%	0.026	18%	0.181	C	C	.	.			trans	-113.8	151.6	176.9	-68.9	-87.9	0	0	0	111.5	F76 V78 M81 R82 Y125 M155 T201 D202 V203	F76-F158 HydrophobicContact CE1-CD1 4.46Å; F76-F158 HydrophobicContact CE1-CG 4.35Å; F76-F158 HydrophobicContact CZ-CD1 4.16Å; F76-F158 HydrophobicContact CZ-CG 4.4Å; V78-F158 HydrophobicContact CB-CE2 4.43Å; V78-F158 HydrophobicContact CB-CZ 4.37Å; V78-F158 HydrophobicContact CG1-CE2 3.77Å; V78-F158 HydrophobicContact CG1-CZ 3.97Å; V78-F158 HydrophobicContact CG2-CE2 4.22Å; V78-F158 HydrophobicContact CG2-CZ 4.39Å; M81-F158 HydrophobicContact CB-CE1 3.93Å; M81-F158 HydrophobicContact CB-CZ 4.28Å; M81-F158 HydrophobicContact CE-CD1 4.28Å; M81-F158 HydrophobicContact CE-CE1 3.64Å; M81-F158 HydrophobicContact CE-CZ 4.12Å; M81-F158 HydrophobicContact SD-CE1 4.24Å; R82-F158 HydrophobicContact CG-CZ 4.3Å; Y125-F158 AromaticContact CE1-CD1 3.91Å; Y125-F158 HydrophobicContact CE1-CD1 3.91Å; Y125-F158 HydrophobicContact CE1-CE1 4.5Å; Y125-F158 WeakPolarHBondContact OH-CB 3.41Å; M155-F158 HydrophobicContact CB-CE1 3.87Å; M155-F158 HydrophobicContact CB-CZ 3.92Å; M155-F158 HydrophobicContact CG-CE1 4.09Å; M155-F158 WeakPolarHBondContact O-CE2 3.37Å; M155-F158 HydrophobicContact SD-CD1 4.47Å; M155-F158 HydrophobicContact SD-CE1 3.75Å; M155-F158 HydrophobicContact SD-CZ 4.5Å; F158-T201 HydrophobicContact CB-CG2 3.69Å; F158-T201 WeakPolarHBondContact O-CB 3.31Å; F158-D202 PolarHBondContact N-OD2 3.46Å; F158-D202 PolarHBondContact O-N 2.83Å; F158-V203 PolarHBondContact O-N 2.87Å
159	A	98.9	Very high	98.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	153.6	-177.2	0	0	0	0	0	113.1	Y125 H129 C132 L152 V203	Y125-A159 PolarHBondContact OH-O 3.49Å; H129-A159 PolarHBondContact ND1-N 3.49Å; C132-A159 HydrophobicContact CB-CB 3.47Å; C132-A159 VanDerWaalsContact CB-CB 3.47Å; L152-A159 HydrophobicContact CD1-CB 4.41Å; L152-A159 HydrophobicContact CD2-CB 3.77Å; A159-V203 CarbonylContact C-O 3.59Å; A159-V203 WeakPolarHBondContact CA-O 3.42Å; A159-V203 HydrophobicContact CB-CB 4.25Å
160	S	98.9	Very high	98	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	137.7	175.6	-75.7	0	0	0	0	111.2	C132 S196 G197 T201 V203 Y204 V205	C132-S160 VanDerWaalsContact SG-C 3.57Å; S160-S196 WeakPolarHBondContact CB-O 3.33Å; S160-S196 PolarHBondContact OG-O 3.07Å; S160-G197 WeakPolarHBondContact OG-CA 3.4Å; S160-T201 WeakPolarHBondContact CB-OG1 3.38Å; S160-T201 WeakPolarHBondContact OG-CG2 3.43Å; S160-T201 PolarHBondContact OG-OG1 3.47Å; S160-V203 PolarHBondContact N-O 3.44Å; S160-Y204 WeakPolarHBondContact O-CA 3.5Å; S160-V205 PolarHBondContact O-N 2.83Å
161	Y	98.9	Very high	97.8	Very high	25 Å²	25	37.5 Å²	37.5	10%	0.098	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	126.7	176.7	179.1	-121.7	0	0	0	111.4	M131 M135 L163 V205 M207 A272	M131-Y161 HydrophobicContact CE-CD1 3.44Å; M131-Y161 VanDerWaalsContact CE-CD1 3.44Å; M131-Y161 HydrophobicContact CE-CD2 4.15Å; M131-Y161 HydrophobicContact CE-CE1 3.98Å; M131-Y161 HydrophobicContact CE-CG 3.52Å; M135-Y161 HydrophobicContact CE-CD2 4.23Å; M135-Y161 HydrophobicContact CE-CE2 3.71Å; M135-Y161 HydrophobicContact SD-CD2 4.13Å; M135-Y161 HydrophobicContact SD-CE2 3.89Å; Y161-L163 HydrophobicContact CD1-CB 4.35Å; Y161-L163 HydrophobicContact CE1-CB 3.6Å; Y161-L163 HydrophobicContact CE1-CD2 4.06Å; Y161-L163 HydrophobicContact CE1-CG 4.48Å; Y161-L163 WeakPolarHBondContact OH-CD2 3.26Å; Y161-V205 HydrophobicContact CD2-CB 4.37Å; Y161-V205 HydrophobicContact CD2-CG1 4.35Å; Y161-M207 HydrophobicContact CE2-CE 3.94Å; Y161-M207 HydrophobicContact CE2-CG 4.22Å; Y161-A272 WeakPolarHBondContact OH-CB 3.43Å
162	C	98.9	Very high	97.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	85.1	-170.4	-68.6	0	0	0	0	112.2	K192 I195 V205 V206 M207	C162-K192 HydrophobicContact CB-CD 4.38Å; C162-K192 HydrophobicContact CB-CG 4.08Å; C162-I195 HydrophobicContact CB-CD1 4.3Å; C162-V205 WeakPolarHBondContact CB-O 3.32Å; C162-V205 PolarHBondContact N-O 3.42Å; C162-V206 HydrophobicContact CB-CB 4.22Å; C162-V206 HydrophobicContact CB-CG1 4.28Å; C162-V206 HydrophobicContact CB-CG2 3.89Å; C162-M207 PolarHBondContact O-N 2.98Å
163	L	98.7	Very high	97.6	Very high	12 Å²	12	37 Å²	37	6%	0.063	24%	0.238	C	C	.	.			trans	-111	-59.4	176.4	176.7	62.3	0	0	0	112.3	Y161 A172 L175 K192 M207	Y161-L163 HydrophobicContact CD1-CB 4.35Å; Y161-L163 HydrophobicContact CE1-CB 3.6Å; Y161-L163 HydrophobicContact CE1-CD2 4.06Å; Y161-L163 HydrophobicContact CE1-CG 4.48Å; Y161-L163 WeakPolarHBondContact OH-CD2 3.26Å; L163-A172 HydrophobicContact CD1-CB 4.16Å; L163-A172 HydrophobicContact CD2-CB 3.88Å; L163-A172 HydrophobicContact CG-CB 4.12Å; L163-L175 HydrophobicContact CD1-CD2 3.96Å; L163-K192 PolarHBondContact O-NZ 3.02Å; L163-M207 HydrophobicContact CD1-CB 3.73Å; L163-M207 HydrophobicContact CD1-CG 3.91Å
164	T	98.6	Very high	97.5	Very high	46 Å²	46	38.7 Å²	38.7	28%	0.282	25%	0.25	S	C	.	.			trans	-62.7	143.5	-171.6	-57.4	0	0	0	0	112.8	S168 K192 A193 F194	T164-S168 WeakPolarHBondContact CA-O 3.48Å; T164-K192 CarbonylContact O-C 3.48Å; T164-K192 VanDerWaalsContact O-CA 3.25Å; T164-K192 WeakPolarHBondContact O-CA 3.32Å; T164-K192 WeakPolarHBondContact O-CD 3.39Å; T164-A193 PolarHBondContact O-N 3.08Å; T164-F194 HydrophobicContact CG2-CD2 4.03Å
165	E	98.8	Very high	97.5	Very high	14 Å²	14	35.9 Å²	35.9	7%	0.065	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-128.2	164	174.8	-54.8	-172.3	172.8	0	0	109.8	G167 S168 L175 L176 T177 S191 K192	E165-G167 PolarHBondContact O-N 3.27Å; E165-G167 VanDerWaalsContact O-N 3.11Å; E165-S168 WeakPolarHBondContact CB-OG 3.38Å; E165-S168 PolarHBondContact N-O 3.15Å; E165-S168 CarbonylContact O-C 3.57Å; E165-S168 PolarHBondContact O-N 3.34Å; E165-S168 VanDerWaalsContact O-N 3.09Å; E165-L175 HydrophobicContact CG-CB 4.34Å; E165-L175 WeakPolarHBondContact OE1-CB 3.42Å; E165-L176 VanDerWaalsContact CD-N 3.34Å; E165-L176 PolarHBondContact OE1-N 3.34Å; E165-L176 PolarHBondContact OE2-N 3.34Å; E165-T177 WeakPolarHBondContact OE1-CB 3.39Å; E165-T177 PolarHBondContact OE1-N 3.31Å; E165-T177 PolarHBondContact OE1-OG1 3.05Å; E165-T177 PolarHBondContact OE2-N 2.85Å; E165-S191 WeakPolarHBondContact CG-O 3.48Å; E165-K192 HydrophobicContact CG-CD 3.93Å; E165-K192 IonicContact OE1-NZ 2.77Å; E165-K192 PolarHBondContact OE1-NZ 3.47Å
166	P	97.6	Very high	97.5	Very high	103 Å²	103	42.2 Å²	42.2	67%	0.669	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-33.9	175.8	-27.2	35.8	0	0	0	113.7	A193	P166-A193 HydrophobicContact CG-CB 4.17Å
167	G	96.1	Very high	97.5	Very high	71 Å²	71	36.6 Å²	36.6	73%	0.732	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-6.7	179	0	0	0	0	0	115.8	E165	E165-G167 PolarHBondContact O-N 3.27Å; E165-G167 VanDerWaalsContact O-N 3.11Å
168	S	93.7	Very high	97.5	Very high	3 Å²	3	36 Å²	36	2%	0.021	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-142.2	94.6	-173.9	68.6	0	0	0	0	112	T164 E165 D171 L175	T164-S168 WeakPolarHBondContact CA-O 3.48Å; E165-S168 WeakPolarHBondContact CB-OG 3.38Å; E165-S168 PolarHBondContact N-O 3.15Å; E165-S168 CarbonylContact O-C 3.57Å; E165-S168 PolarHBondContact O-N 3.34Å; E165-S168 VanDerWaalsContact O-N 3.09Å; S168-D171 WeakPolarHBondContact CB-O 3.27Å; S168-L175 WeakPolarHBondContact OG-CA 3.5Å
169	G	95.6	Very high	97.5	Very high	41 Å²	41	35.8 Å²	35.8	42%	0.423	24%	0.24	S	C	.	.	S	Bend	trans	-103.1	-92.5	172.9	0	0	0	0	0	111.7	D171 A172	G169-D171 VanDerWaalsContact C-N 3.25Å; G169-D171 PolarHBondContact O-N 3.18Å; G169-A172 PolarHBondContact O-N 2.93Å
170	S	94.3	Very high	97.5	Very high	81 Å²	81	41.6 Å²	41.6	57%	0.566	27%	0.267	S	S	*	.	S	Bend	trans	-58.1	-37	176.4	-59.1	0	0	0	0	112.8	A172	S170-A172 VanDerWaalsContact C-N 3.25Å; S170-A172 PolarHBondContact O-N 3.26Å; S170-A172 VanDerWaalsContact O-N 3.16Å
171	D	95.2	Very high	97.4	Very high	99 Å²	99	48.7 Å²	48.7	53%	0.529	29%	0.294	S	S	.	.	S	Bend	trans	-85.9	63	170.7	-177.7	24.5	0	0	0	110.8	S168 G169 A173 S174	S168-D171 WeakPolarHBondContact CB-O 3.27Å; G169-D171 VanDerWaalsContact C-N 3.25Å; G169-D171 PolarHBondContact O-N 3.18Å; D171-A173 PolarHBondContact O-N 3.24Å; D171-A173 VanDerWaalsContact O-N 3.13Å; D171-S174 PolarHBondContact O-N 3.09Å; D171-S174 PolarHBondContact O-OG 2.9Å; D171-S174 WeakPolarHBondContact OD2-CB 3.44Å; D171-S174 PolarHBondContact OD2-OG 3.38Å
172	A	95.3	Very high	97.4	Very high	12 Å²	12	53 Å²	53	10%	0.099	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-63	-22.1	-173.6	0	0	0	0	0	113.7	L163 G169 S170 S174 F269	L163-A172 HydrophobicContact CD1-CB 4.16Å; L163-A172 HydrophobicContact CD2-CB 3.88Å; L163-A172 HydrophobicContact CG-CB 4.12Å; G169-A172 PolarHBondContact O-N 2.93Å; S170-A172 VanDerWaalsContact C-N 3.25Å; S170-A172 PolarHBondContact O-N 3.26Å; S170-A172 VanDerWaalsContact O-N 3.16Å; A172-S174 VanDerWaalsContact C-N 3.26Å; A172-S174 PolarHBondContact O-N 3.34Å; A172-F269 HydrophobicContact CB-CE2 4.18Å
173	A	96.9	Very high	97.3	Very high	15 Å²	15	55.8 Å²	55.8	12%	0.124	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-75	-13.8	-179	0	0	0	0	0	113.6	D171 L175 R209 P215 F269	D171-A173 PolarHBondContact O-N 3.24Å; D171-A173 VanDerWaalsContact O-N 3.13Å; A173-L175 VanDerWaalsContact C-N 3.33Å; A173-R209 PolarHBondContact O-NH2 3.12Å; A173-P215 HydrophobicContact CB-CG 3.88Å; A173-F269 HydrophobicContact CB-CD2 4.27Å; A173-F269 HydrophobicContact CB-CE2 3.71Å; A173-F269 HydrophobicContact CB-CZ 3.88Å
174	S	97.8	Very high	97.2	Very high	43 Å²	43	60.6 Å²	60.6	30%	0.301	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-89.9	8.3	178.6	63.6	0	0	0	0	114.4	D171 A172	D171-S174 PolarHBondContact O-N 3.09Å; D171-S174 PolarHBondContact O-OG 2.9Å; D171-S174 WeakPolarHBondContact OD2-CB 3.44Å; D171-S174 PolarHBondContact OD2-OG 3.38Å; A172-S174 VanDerWaalsContact C-N 3.26Å; A172-S174 PolarHBondContact O-N 3.34Å
175	L	98.6	Very high	97.2	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	37%	0.369	C	S	.	.			trans	-47.6	143.2	177	72.7	82.7	0	0	0	113.1	L163 E165 S168 A173 M207 R209 I218	L163-L175 HydrophobicContact CD1-CD2 3.96Å; E165-L175 HydrophobicContact CG-CB 4.34Å; E165-L175 WeakPolarHBondContact OE1-CB 3.42Å; S168-L175 WeakPolarHBondContact OG-CA 3.5Å; A173-L175 VanDerWaalsContact C-N 3.33Å; L175-M207 HydrophobicContact CD2-CB 4Å; L175-R209 HydrophobicContact CD1-CB 4.1Å; L175-R209 VanDerWaalsContact O-CZ 3.27Å; L175-R209 PolarHBondContact O-NE 2.88Å; L175-R209 PolarHBondContact O-NH2 3.21Å; L175-I218 HydrophobicContact CD1-CG1 4.28Å; L175-I218 HydrophobicContact CD2-CD1 3.69Å; L175-I218 HydrophobicContact CD2-CG1 4.08Å; L175-I218 HydrophobicContact CD2-CG2 4.02Å; L175-I218 HydrophobicContact CG-CD1 3.88Å; L175-I218 HydrophobicContact CG-CG1 4.13Å
176	L	98.6	Very high	97.2	Very high	134 Å²	134	60.8 Å²	60.8	70%	0.702	37%	0.366	S	S	*	.			trans	-110.9	-17.6	-173	-62.6	-179.1	0	0	0	113.4	E165 S178	E165-L176 VanDerWaalsContact CD-N 3.34Å; E165-L176 PolarHBondContact OE1-N 3.34Å; E165-L176 PolarHBondContact OE2-N 3.34Å; L176-S178 PolarHBondContact O-N 3.42Å
177	T	98.9	Very high	97.2	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.006	34%	0.338	C	S	.	.			trans	-52.9	115	174.7	-60.4	0	0	0	0	108.8	E165 N189 K192 C208 R209 F251	E165-T177 WeakPolarHBondContact OE1-CB 3.39Å; E165-T177 PolarHBondContact OE1-N 3.31Å; E165-T177 PolarHBondContact OE1-OG1 3.05Å; E165-T177 PolarHBondContact OE2-N 2.85Å; T177-N189 WeakPolarHBondContact CA-O 3.47Å; T177-K192 WeakPolarHBondContact OG1-CE 3.07Å; T177-C208 HydrophobicContact CG2-CB 4.16Å; T177-C208 CarbonylContact O-C 3.56Å; T177-C208 WeakPolarHBondContact O-CA 3.31Å; T177-R209 PolarHBondContact O-N 3.01Å; T177-F251 HydrophobicContact CG2-CD2 4.18Å
178	S	98.8	Very high	97.4	Very high	49 Å²	49	53.2 Å²	53.2	34%	0.343	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	155.1	-175.9	62.5	0	0	0	0	110.7	L176 L188 N189 R209	L176-S178 PolarHBondContact O-N 3.42Å; S178-L188 VanDerWaalsContact O-CA 3.22Å; S178-L188 WeakPolarHBondContact O-CA 3.33Å; S178-N189 PolarHBondContact N-O 3.22Å; S178-N189 PolarHBondContact O-N 3.27Å; S178-N189 VanDerWaalsContact O-N 3.09Å; S178-N189 PolarHBondContact OG-O 3.46Å; S178-R209 CarbonylContact C-O 3.58Å; S178-R209 WeakPolarHBondContact CA-O 3.34Å
179	A	98.8	Very high	97.6	Very high	3 Å²	3	55.8 Å²	55.8	3%	0.025	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	95.7	172.5	0	0	0	0	0	108.4	Y186 V187 L188 C208 R209 T210 L221	A179-Y186 HydrophobicContact CB-CD1 4.13Å; A179-Y186 HydrophobicContact CB-CG 4.47Å; A179-V187 WeakPolarHBondContact CA-O 3.38Å; A179-L188 HydrophobicContact CB-CD1 4.12Å; A179-L188 HydrophobicContact CB-CG 4.1Å; A179-C208 HydrophobicContact CB-CB 3.97Å; A179-C208 VanDerWaalsContact CB-SG 3.53Å; A179-R209 PolarHBondContact N-O 3.49Å; A179-T210 HydrophobicContact CB-CG2 3.75Å; A179-L221 HydrophobicContact CB-CD1 3.94Å
180	Q	98.6	Very high	97.8	Very high	121 Å²	121	55.2 Å²	55.2	57%	0.565	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	123.2	-179.2	-173.2	-177.2	30.7	0	0	110	K182 Y186 V187	Q180-K182 PolarHBondContact O-N 3.47Å; Q180-K182 VanDerWaalsContact OE1-CE 3.24Å; Q180-Y186 CarbonylContact O-C 3.55Å; Q180-Y186 WeakPolarHBondContact O-CA 3.33Å; Q180-V187 PolarHBondContact N-O 3.34Å; Q180-V187 PolarHBondContact O-N 3.42Å
181	R	98.1	Very high	98	Very high	150 Å²	150	53.5 Å²	53.5	57%	0.566	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	126	174.5	-165	172.8	177.5	-164.6	0.9	110.8	G183 Y186	R181-G183 PolarHBondContact NE-O 2.88Å; R181-Y186 HydrophobicContact CB-CD1 3.99Å; R181-Y186 HydrophobicContact CB-CE1 3.72Å; R181-Y186 HydrophobicContact CG-CD1 4.47Å; R181-Y186 HydrophobicContact CG-CE1 4.09Å
182	K	97.4	Very high	98.1	Very high	114 Å²	114	48.8 Å²	48.8	50%	0.496	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	95	172.6	-64.7	-169.7	-172.7	172.9	0	108.2	Q180 D184 H185 V187	Q180-K182 PolarHBondContact O-N 3.47Å; Q180-K182 VanDerWaalsContact OE1-CE 3.24Å; K182-D184 PolarHBondContact O-N 2.99Å; K182-H185 CarbonylContact C-O 3.6Å; K182-H185 PolarHBondContact N-O 3.16Å; K182-H185 PolarHBondContact O-N 3Å; K182-V187 HydrophobicContact CD-CG2 3.74Å; K182-V187 HydrophobicContact CG-CG2 4.19Å
183	G	96.5	Very high	98.3	Very high	59 Å²	59	48.7 Å²	48.7	61%	0.608	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	-119	-175.4	0	0	0	0	0	112.4	R181	R181-G183 PolarHBondContact NE-O 2.88Å
184	D	97.4	Very high	98.4	Very high	114 Å²	114	54.9 Å²	54.9	61%	0.61	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	6.5	179.8	60.9	-24.4	0	0	0	113.8	K182 A258	K182-D184 PolarHBondContact O-N 2.99Å; D184-A258 VanDerWaalsContact O-CB 3.24Å; D184-A258 WeakPolarHBondContact O-CB 3.46Å; D184-A258 PolarHBondContact O-N 3.24Å
185	H	98.1	Very high	98.4	Very high	63 Å²	63	53 Å²	53	29%	0.292	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	160.2	175.4	-63.7	-87.7	0	0	0	112.7	K182 V256 P257	K182-H185 CarbonylContact C-O 3.6Å; K182-H185 PolarHBondContact N-O 3.16Å; K182-H185 PolarHBondContact O-N 3Å; H185-V256 CarbonylContact C-O 3.58Å; H185-V256 VanDerWaalsContact CA-O 3.27Å; H185-V256 WeakPolarHBondContact CA-O 3.4Å; H185-P257 WeakPolarHBondContact ND1-CA 3.46Å
186	Y	98.8	Very high	98.4	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	139.2	160.4	-69.3	-83.2	0	0	0	109.6	A179 Q180 R181 T210 L221 S255 V256 A258 R261 E265	A179-Y186 HydrophobicContact CB-CD1 4.13Å; A179-Y186 HydrophobicContact CB-CG 4.47Å; Q180-Y186 CarbonylContact O-C 3.55Å; Q180-Y186 WeakPolarHBondContact O-CA 3.33Å; R181-Y186 HydrophobicContact CB-CD1 3.99Å; R181-Y186 HydrophobicContact CB-CE1 3.72Å; R181-Y186 HydrophobicContact CG-CD1 4.47Å; R181-Y186 HydrophobicContact CG-CE1 4.09Å; Y186-T210 HydrophobicContact CD1-CG2 4.1Å; Y186-T210 HydrophobicContact CE1-CG2 3.75Å; Y186-L221 HydrophobicContact CD2-CD1 4.16Å; Y186-L221 HydrophobicContact CD2-CD2 3.78Å; Y186-L221 HydrophobicContact CE2-CD2 4.01Å; Y186-L221 HydrophobicContact CG-CD1 4.07Å; Y186-L221 HydrophobicContact CG-CD2 4.47Å; Y186-S255 CarbonylContact O-C 3.54Å; Y186-S255 WeakPolarHBondContact O-CA 3.31Å; Y186-V256 PolarHBondContact N-O 3.49Å; Y186-V256 PolarHBondContact O-N 3.3Å; Y186-A258 HydrophobicContact CD2-CB 4.2Å; Y186-A258 HydrophobicContact CE2-CB 3.85Å; Y186-R261 HydrophobicContact CE2-CB 4.42Å; Y186-R261 PolarHBondContact OH-NH1 2.87Å; Y186-E265 WeakPolarHBondContact CE1-OE1 3.39Å; Y186-E265 VanDerWaalsContact CZ-OE1 3.31Å; Y186-E265 VanDerWaalsContact OH-CD 3.31Å; Y186-E265 WeakPolarHBondContact OH-CG 3.29Å; Y186-E265 PolarHBondContact OH-OE1 3.45Å
187	V	98.8	Very high	98.4	Very high	15 Å²	15	47.4 Å²	47.4	9%	0.091	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	113.6	170.4	-178.3	0	0	0	0	108.7	A179 Q180 K182 D253 C254	A179-V187 WeakPolarHBondContact CA-O 3.38Å; Q180-V187 PolarHBondContact N-O 3.34Å; Q180-V187 PolarHBondContact O-N 3.42Å; K182-V187 HydrophobicContact CD-CG2 3.74Å; K182-V187 HydrophobicContact CG-CG2 4.19Å; V187-D253 HydrophobicContact CG1-CB 4.13Å; V187-C254 WeakPolarHBondContact CA-O 3.39Å
188	L	98.9	Very high	98.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	134.7	-177.9	-75.4	67	0	0	0	111	S178 A179 V206 L221 V223 F251 D253 C254 V256	S178-L188 VanDerWaalsContact O-CA 3.22Å; S178-L188 WeakPolarHBondContact O-CA 3.33Å; A179-L188 HydrophobicContact CB-CD1 4.12Å; A179-L188 HydrophobicContact CB-CG 4.1Å; L188-V206 HydrophobicContact CD2-CG1 4.35Å; L188-L221 HydrophobicContact CD1-CD1 3.66Å; L188-L221 HydrophobicContact CD2-CD1 4.23Å; L188-L221 HydrophobicContact CG-CD1 4.24Å; L188-V223 HydrophobicContact CD2-CG2 4.07Å; L188-F251 HydrophobicContact CB-CB 3.92Å; L188-F251 HydrophobicContact CB-CD1 4.2Å; L188-F251 HydrophobicContact CB-CG 4.18Å; L188-F251 HydrophobicContact CD2-CD1 3.97Å; L188-F251 HydrophobicContact CD2-CE1 4.12Å; L188-F251 HydrophobicContact CD2-CG 4.42Å; L188-D253 PolarHBondContact O-N 3.39Å; L188-C254 HydrophobicContact CB-CB 4.17Å; L188-C254 PolarHBondContact N-O 3.19Å; L188-C254 PolarHBondContact O-N 3.21Å; L188-V256 HydrophobicContact CD1-CB 4.03Å; L188-V256 HydrophobicContact CD1-CG2 3.71Å; L188-V256 HydrophobicContact CD2-CG2 4.39Å
189	N	98.9	Very high	98.1	Very high	58 Å²	58	45.4 Å²	45.4	31%	0.31	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	123.7	173	-83.2	-70.5	0	0	0	110	T177 S178 F251 D253	T177-N189 WeakPolarHBondContact CA-O 3.47Å; S178-N189 PolarHBondContact N-O 3.22Å; S178-N189 PolarHBondContact O-N 3.27Å; S178-N189 VanDerWaalsContact O-N 3.09Å; S178-N189 PolarHBondContact OG-O 3.46Å; N189-F251 WeakPolarHBondContact CA-O 3.45Å; N189-D253 PolarHBondContact ND2-OD1 3.39Å; N189-D253 PolarHBondContact OD1-N 2.81Å
190	G	98.7	Very high	98	Very high	28 Å²	28	48.3 Å²	48.3	29%	0.289	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	155.3	-171.4	179	0	0	0	0	0	113.7	F251	G190-F251 PolarHBondContact N-O 2.88Å; G190-F251 PolarHBondContact O-N 2.9Å
191	S	98.6	Very high	98	Very high	45 Å²	45	42.6 Å²	42.6	32%	0.315	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	140	176.2	63.7	0	0	0	0	111.3	E165 V249	E165-S191 WeakPolarHBondContact CG-O 3.48Å; S191-V249 CarbonylContact C-O 3.54Å; S191-V249 WeakPolarHBondContact CA-O 3.44Å
192	K	98.9	Very high	98	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	147.9	174	-61.1	-73.1	174.4	-163.1	0	109.4	C162 L163 T164 E165 T177 I195 M207 A248 V249 F251	C162-K192 HydrophobicContact CB-CD 4.38Å; C162-K192 HydrophobicContact CB-CG 4.08Å; L163-K192 PolarHBondContact O-NZ 3.02Å; T164-K192 CarbonylContact O-C 3.48Å; T164-K192 VanDerWaalsContact O-CA 3.25Å; T164-K192 WeakPolarHBondContact O-CA 3.32Å; T164-K192 WeakPolarHBondContact O-CD 3.39Å; E165-K192 HydrophobicContact CG-CD 3.93Å; E165-K192 IonicContact OE1-NZ 2.77Å; E165-K192 PolarHBondContact OE1-NZ 3.47Å; T177-K192 WeakPolarHBondContact OG1-CE 3.07Å; K192-I195 HydrophobicContact CB-CD1 3.9Å; K192-I195 HydrophobicContact CB-CG1 3.84Å; K192-M207 WeakPolarHBondContact CE-O 3.47Å; K192-M207 PolarHBondContact NZ-O 3.13Å; K192-A248 CarbonylContact O-C 3.04Å; K192-A248 WeakPolarHBondContact O-CA 3.34Å; K192-A248 WeakPolarHBondContact O-CB 3.3Å; K192-V249 HydrophobicContact CB-CB 4.25Å; K192-V249 PolarHBondContact N-O 3.38Å; K192-V249 PolarHBondContact O-N 3.01Å; K192-F251 HydrophobicContact CG-CE2 3.88Å
193	A	98.6	Very high	98.1	Very high	11 Å²	11	32.5 Å²	32.5	9%	0.091	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	150.2	-177.2	0	0	0	0	0	111.1	T164 P166 I195	T164-A193 PolarHBondContact O-N 3.08Å; P166-A193 HydrophobicContact CG-CB 4.17Å; A193-I195 VanDerWaalsContact C-N 3.35Å; A193-I195 WeakPolarHBondContact O-CD1 3.21Å; A193-I195 PolarHBondContact O-N 3.09Å
194	F	98.6	Very high	98.2	Very high	144 Å²	144	29.7 Å²	29.7	63%	0.632	17%	0.165	S	C	*	.	E	Extended strand (participates in β ladder)	trans	61.2	35	175.7	-47.9	-73.8	0	0	0	114.9	T164 S196 T246	T164-F194 HydrophobicContact CG2-CD2 4.03Å; F194-S196 PolarHBondContact O-N 2.93Å; F194-T246 HydrophobicContact CB-CG2 4.2Å; F194-T246 HydrophobicContact CD1-CG2 4.5Å
195	I	98.9	Very high	98.3	Very high	5 Å²	5	24.2 Å²	24.2	3%	0.026	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	109.3	-176.7	-54.7	-47.3	0	0	0	110.5	C162 K192 A193 G197 G198 T246 R247 V249	C162-I195 HydrophobicContact CB-CD1 4.3Å; K192-I195 HydrophobicContact CB-CD1 3.9Å; K192-I195 HydrophobicContact CB-CG1 3.84Å; A193-I195 VanDerWaalsContact C-N 3.35Å; A193-I195 WeakPolarHBondContact O-CD1 3.21Å; A193-I195 PolarHBondContact O-N 3.09Å; I195-G197 PolarHBondContact O-N 3.22Å; I195-G198 PolarHBondContact O-N 3.46Å; I195-T246 WeakPolarHBondContact O-CA 3.43Å; I195-R247 PolarHBondContact N-O 3.2Å; I195-R247 PolarHBondContact O-N 3.21Å; I195-V249 HydrophobicContact CB-CG2 3.7Å; I195-V249 HydrophobicContact CG1-CB 4.23Å; I195-V249 HydrophobicContact CG1-CG2 3.62Å; I195-V249 HydrophobicContact CG2-CG2 3.84Å
196	S	98.8	Very high	98.3	Very high	15 Å²	15	21.2 Å²	21.2	11%	0.105	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	127.4	171.6	-69.4	0	0	0	0	111.2	S160 F194 G198 Q244 P245	S160-S196 WeakPolarHBondContact CB-O 3.33Å; S160-S196 PolarHBondContact OG-O 3.07Å; F194-S196 PolarHBondContact O-N 2.93Å; S196-G198 PolarHBondContact O-N 3.4Å; S196-Q244 PolarHBondContact OG-OE1 3.32Å; S196-P245 CarbonylContact C-O 3.58Å
197	G	98.1	Very high	98.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	-8.4	-171.2	0	0	0	0	0	114.1	S160 I195 G199 D200 T201 P245	S160-G197 WeakPolarHBondContact OG-CA 3.4Å; I195-G197 PolarHBondContact O-N 3.22Å; G197-G199 PolarHBondContact O-N 3.07Å; G197-D200 PolarHBondContact O-N 2.94Å; G197-T201 WeakPolarHBondContact O-CG2 3.35Å; G197-T201 PolarHBondContact O-N 3.18Å; G197-T201 VanDerWaalsContact O-N 3.07Å; G197-T201 PolarHBondContact O-OG1 2.96Å; G197-P245 PolarHBondContact N-O 3.47Å
198	G	96	Very high	98.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	127.6	-171.8	0	0	0	0	0	113	I195 S196 D200 R247	I195-G198 PolarHBondContact O-N 3.46Å; S196-G198 PolarHBondContact O-N 3.4Å; G198-D200 PolarHBondContact O-N 3.11Å; G198-R247 WeakPolarHBondContact O-CD 3.31Å; G198-R247 WeakPolarHBondContact O-CG 3.37Å; G198-R247 PolarHBondContact O-NE 3.04Å; G198-R247 VanDerWaalsContact O-NE 3.11Å
199	G	95.3	Very high	98.3	Very high	8 Å²	8	22.4 Å²	22.4	8%	0.082	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.1	-18.2	-179	0	0	0	0	0	114.8	G197 Y204 K225 F232	G197-G199 PolarHBondContact O-N 3.07Å; G199-Y204 PolarHBondContact N-OH 2.84Å; G199-K225 PolarHBondContact O-NZ 3.44Å; G199-F232 VanDerWaalsContact CA-CG 3.5Å
200	D	96.2	Very high	98.3	Very high	65 Å²	65	21.2 Å²	21.2	35%	0.348	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-6.7	-179.4	-65.6	-87.7	0	0	0	112.1	F76 G197 G198 P245 R247	F76-D200 HydrophobicContact CD1-CB 4.18Å; F76-D200 HydrophobicContact CE1-CB 4.48Å; G197-D200 PolarHBondContact O-N 2.94Å; G198-D200 PolarHBondContact O-N 3.11Å; D200-P245 HydrophobicContact CB-CG 3.64Å; D200-P245 VanDerWaalsContact OD2-CB 3.26Å; D200-P245 WeakPolarHBondContact OD2-CB 3.42Å; D200-P245 VanDerWaalsContact OD2-CG 3.24Å; D200-P245 WeakPolarHBondContact OD2-CG 3.27Å; D200-R247 IonicContact OD1-NH2 3.89Å; D200-R247 IonicContact OD2-CZ 3.01Å; D200-R247 IonicContact OD2-NE 3.93Å; D200-R247 IonicContact OD2-NH2 2.87Å; D200-R247 PolarHBondContact OD2-NH2 3.39Å
201	T	98.4	Very high	98.2	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.128	C	C	.	.			trans	-103.4	163.1	175	56.3	0	0	0	0	112.8	F76 Y125 F158 S160 G197 Y204 K225	F76-T201 HydrophobicContact CZ-CG2 4.43Å; Y125-T201 HydrophobicContact CE2-CG2 4.23Å; Y125-T201 WeakPolarHBondContact OH-CG2 3.43Å; F158-T201 HydrophobicContact CB-CG2 3.69Å; F158-T201 WeakPolarHBondContact O-CB 3.31Å; S160-T201 WeakPolarHBondContact CB-OG1 3.38Å; S160-T201 WeakPolarHBondContact OG-CG2 3.43Å; S160-T201 PolarHBondContact OG-OG1 3.47Å; G197-T201 WeakPolarHBondContact O-CG2 3.35Å; G197-T201 PolarHBondContact O-N 3.18Å; G197-T201 VanDerWaalsContact O-N 3.07Å; G197-T201 PolarHBondContact O-OG1 2.96Å; T201-Y204 WeakPolarHBondContact O-CE2 3.42Å; T201-Y204 PolarHBondContact O-OH 2.8Å; T201-Y204 VanDerWaalsContact OG1-CZ 3.31Å; T201-Y204 PolarHBondContact OG1-OH 2.8Å; T201-K225 VanDerWaalsContact O-CD 3.23Å; T201-K225 WeakPolarHBondContact O-CD 3.46Å
202	D	98.8	Very high	98.1	Very high	51 Å²	51	22.4 Å²	22.4	27%	0.273	14%	0.139	S	C	.	.	S	Bend	trans	-102.7	-28.7	-170.7	-50.1	-74.2	0	0	0	113.2	K157 F158 E224 K225	K157-D202 VanDerWaalsContact CA-OD2 3.32Å; K157-D202 WeakPolarHBondContact CA-OD2 3.27Å; K157-D202 HydrophobicContact CB-CB 3.95Å; K157-D202 HydrophobicContact CD-CB 4.2Å; K157-D202 HydrophobicContact CG-CB 3.92Å; F158-D202 PolarHBondContact N-OD2 3.46Å; F158-D202 PolarHBondContact O-N 2.83Å; D202-E224 CarbonylContact O-C 3.46Å; D202-E224 WeakPolarHBondContact O-CA 3.43Å; D202-K225 PolarHBondContact O-N 2.97Å
203	V	98.8	Very high	97.9	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	130.3	-174.9	-177.3	0	0	0	0	110.3	I136 F148 L152 K157 F158 A159 S160 V222	I136-V203 HydrophobicContact CD1-CG1 4.23Å; F148-V203 HydrophobicContact CD1-CG2 4.45Å; L152-V203 HydrophobicContact CD2-CB 4.35Å; L152-V203 HydrophobicContact CD2-CG2 4.17Å; K157-V203 HydrophobicContact CD-CG2 4.45Å; F158-V203 PolarHBondContact O-N 2.87Å; A159-V203 CarbonylContact C-O 3.59Å; A159-V203 WeakPolarHBondContact CA-O 3.42Å; A159-V203 HydrophobicContact CB-CB 4.25Å; S160-V203 PolarHBondContact N-O 3.44Å; V203-V222 HydrophobicContact CG1-CG1 3.49Å; V203-V222 VanDerWaalsContact CG1-CG1 3.49Å
204	Y	98.9	Very high	97.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	116.6	-178.9	-62	-97	0	0	0	109.4	S160 G199 T201 V206 V222 V223 K225 L230 F232 V249	S160-Y204 WeakPolarHBondContact O-CA 3.5Å; G199-Y204 PolarHBondContact N-OH 2.84Å; T201-Y204 WeakPolarHBondContact O-CE2 3.42Å; T201-Y204 PolarHBondContact O-OH 2.8Å; T201-Y204 VanDerWaalsContact OG1-CZ 3.31Å; T201-Y204 PolarHBondContact OG1-OH 2.8Å; Y204-V206 PolarHBondContact O-N 3.3Å; Y204-V222 CarbonylContact O-C 3.48Å; Y204-V222 WeakPolarHBondContact O-CA 3.34Å; Y204-V223 WeakPolarHBondContact CB-O 3.42Å; Y204-V223 PolarHBondContact N-O 2.87Å; Y204-V223 PolarHBondContact O-N 3.07Å; Y204-K225 HydrophobicContact CE2-CB 4.16Å; Y204-L230 HydrophobicContact CD2-CD2 4.21Å; Y204-L230 HydrophobicContact CE2-CD2 4.3Å; Y204-F232 AromaticContact CE1-CE1 3.63Å; Y204-F232 HydrophobicContact CE1-CE1 3.63Å; Y204-F232 HydrophobicContact CE1-CZ 4.26Å; Y204-F232 HydrophobicContact CE2-CE1 4.14Å; Y204-F232 AromaticContact CE2-CZ 3.93Å; Y204-F232 HydrophobicContact CE2-CZ 3.93Å; Y204-F232 AromaticContact CZ-CE1 3.39Å; Y204-F232 AromaticContact CZ-CZ 3.55Å; Y204-F232 WeakPolarHBondContact OH-CE1 3.3Å; Y204-F232 VanDerWaalsContact OH-CZ 3.23Å; Y204-F232 WeakPolarHBondContact OH-CZ 3.37Å; Y204-V249 HydrophobicContact CD1-CG1 4.37Å; Y204-V249 HydrophobicContact CD1-CG2 4.22Å; Y204-V249 HydrophobicContact CE1-CG2 4.01Å
205	V	98.9	Very high	97.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	101.1	173.7	-178.8	0	0	0	0	108.1	C132 M135 I136 S160 Y161 C162 C220	C132-V205 HydrophobicContact CB-CG2 3.8Å; M135-V205 HydrophobicContact SD-CG1 3.87Å; I136-V205 HydrophobicContact CD1-CG2 4.24Å; I136-V205 HydrophobicContact CG1-CG2 4.36Å; S160-V205 PolarHBondContact O-N 2.83Å; Y161-V205 HydrophobicContact CD2-CB 4.37Å; Y161-V205 HydrophobicContact CD2-CG1 4.35Å; C162-V205 WeakPolarHBondContact CB-O 3.32Å; C162-V205 PolarHBondContact N-O 3.42Å; V205-C220 VanDerWaalsContact CG1-SG 3.5Å
206	V	98.9	Very high	97.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	121.5	-167	-172.4	0	0	0	0	112	C162 L188 Y204 C208 C220 L221 V223 F251	C162-V206 HydrophobicContact CB-CB 4.22Å; C162-V206 HydrophobicContact CB-CG1 4.28Å; C162-V206 HydrophobicContact CB-CG2 3.89Å; L188-V206 HydrophobicContact CD2-CG1 4.35Å; Y204-V206 PolarHBondContact O-N 3.3Å; V206-C208 HydrophobicContact CG1-CB 4.44Å; V206-C220 WeakPolarHBondContact O-CA 3.22Å; V206-L221 PolarHBondContact N-O 3.46Å; V206-L221 PolarHBondContact O-N 2.83Å; V206-V223 HydrophobicContact CB-CG2 4.31Å; V206-V223 HydrophobicContact CG2-CB 4.21Å; V206-V223 HydrophobicContact CG2-CG2 3.68Å; V206-F251 HydrophobicContact CB-CZ 4.49Å; V206-F251 HydrophobicContact CG1-CE2 4.19Å; V206-F251 HydrophobicContact CG1-CZ 3.92Å; V206-F251 HydrophobicContact CG2-CE1 4.18Å; V206-F251 HydrophobicContact CG2-CZ 3.7Å
207	M	98.9	Very high	97.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	117.3	169	-62.3	-64.2	169.3	0	0	109.3	M135 Y161 C162 L163 L175 K192 I218 S219 C220 G268 I271 A272	M135-M207 HydrophobicContact SD-CE 4.28Å; Y161-M207 HydrophobicContact CE2-CE 3.94Å; Y161-M207 HydrophobicContact CE2-CG 4.22Å; C162-M207 PolarHBondContact O-N 2.98Å; L163-M207 HydrophobicContact CD1-CB 3.73Å; L163-M207 HydrophobicContact CD1-CG 3.91Å; L175-M207 HydrophobicContact CD2-CB 4Å; K192-M207 WeakPolarHBondContact CE-O 3.47Å; K192-M207 PolarHBondContact NZ-O 3.13Å; M207-I218 HydrophobicContact CB-CG2 4.14Å; M207-I218 HydrophobicContact SD-CG2 4.43Å; M207-S219 WeakPolarHBondContact CA-O 3.36Å; M207-C220 HydrophobicContact CE-CB 3.93Å; M207-C220 VanDerWaalsContact CE-SG 3.55Å; M207-C220 HydrophobicContact SD-CB 3.86Å; M207-G268 WeakPolarHBondContact CE-O 3.49Å; M207-I271 HydrophobicContact CE-CB 4.26Å; M207-I271 HydrophobicContact CE-CG2 3.97Å; M207-A272 HydrophobicContact CE-CB 3.88Å; M207-A272 HydrophobicContact CG-CB 4.41Å; M207-A272 HydrophobicContact SD-CB 4.24Å
208	C	98.8	Very high	97.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	157.1	-174.2	56.2	0	0	0	0	111.1	T177 A179 V206 I218 S219 L221	T177-C208 HydrophobicContact CG2-CB 4.16Å; T177-C208 CarbonylContact O-C 3.56Å; T177-C208 WeakPolarHBondContact O-CA 3.31Å; A179-C208 HydrophobicContact CB-CB 3.97Å; A179-C208 VanDerWaalsContact CB-SG 3.53Å; V206-C208 HydrophobicContact CG1-CB 4.44Å; C208-I218 CarbonylContact O-C 3.56Å; C208-I218 WeakPolarHBondContact O-CA 3.18Å; C208-S219 PolarHBondContact N-O 3.02Å; C208-S219 PolarHBondContact O-N 3.27Å; C208-L221 WeakPolarHBondContact SG-CD1 3.28Å
209	R	98.8	Very high	97.9	Very high	39 Å²	39	37.1 Å²	37.1	15%	0.147	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	111.2	-177.2	-171.8	172.6	-58.6	-71.3	-5	110.4	A173 L175 T177 S178 A179 G211 G212 G214 G217	A173-R209 PolarHBondContact O-NH2 3.12Å; L175-R209 HydrophobicContact CD1-CB 4.1Å; L175-R209 VanDerWaalsContact O-CZ 3.27Å; L175-R209 PolarHBondContact O-NE 2.88Å; L175-R209 PolarHBondContact O-NH2 3.21Å; T177-R209 PolarHBondContact O-N 3.01Å; S178-R209 CarbonylContact C-O 3.58Å; S178-R209 WeakPolarHBondContact CA-O 3.34Å; A179-R209 PolarHBondContact N-O 3.49Å; R209-G211 WeakPolarHBondContact CG-O 3.42Å; R209-G212 PolarHBondContact NH1-O 2.91Å; R209-G214 PolarHBondContact NH1-O 3.41Å; R209-G217 CarbonylContact C-O 3.59Å; R209-G217 WeakPolarHBondContact CA-O 3.43Å
210	T	98.6	Very high	98.1	Very high	34 Å²	34	36.8 Å²	36.8	21%	0.209	21%	0.208	C	C	.	.	S	Bend	trans	-101.3	-19.8	172.6	58.9	0	0	0	0	112.3	A179 Y186 G217 S219	A179-T210 HydrophobicContact CB-CG2 3.75Å; Y186-T210 HydrophobicContact CD1-CG2 4.1Å; Y186-T210 HydrophobicContact CE1-CG2 3.75Å; T210-G217 PolarHBondContact N-O 2.82Å; T210-S219 PolarHBondContact OG1-OG 3.41Å
211	G	97.3	Very high	98.2	Very high	44 Å²	44	33.7 Å²	33.7	45%	0.454	19%	0.192	S	C	.	.	S	Bend	trans	-121.1	-150.8	-177.2	0	0	0	0	0	113.9	R209 G217	R209-G211 WeakPolarHBondContact CG-O 3.42Å; G211-G217 PolarHBondContact N-O 3.24Å
212	G	95.8	Very high	98.2	Very high	53 Å²	53	33.7 Å²	33.7	55%	0.546	19%	0.192	S	C	.	.	S	Bend	trans	-69.2	-168.9	-179.1	0	0	0	0	0	114.9	R209 G217	R209-G212 PolarHBondContact NH1-O 2.91Å; G212-G217 WeakPolarHBondContact O-CA 3.21Å
213	K	95.2	Very high	98.2	Very high	205 Å²	205	31.3 Å²	31.3	89%	0.891	18%	0.179	S	C	*	.	S	Bend	trans	-68.4	156.6	177	-67.8	-175.6	178.8	-179.1	0	112.1
214	G	96.3	Very high	98.2	Very high	24 Å²	24	33.5 Å²	33.5	25%	0.247	19%	0.189	C	C	.	.	S	Bend	trans	78.9	-171.9	174.8	0	0	0	0	0	114.6	R209 K216 G217	R209-G214 PolarHBondContact NH1-O 3.41Å; G214-K216 PolarHBondContact O-N 2.72Å; G214-G217 PolarHBondContact O-N 2.76Å
215	P	97.7	Very high	98.2	Very high	60 Å²	60	38.2 Å²	38.2	39%	0.39	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-57.4	-40.9	-171.7	-29.9	36.7	0	0	0	115	A173 G217 I218 F269	A173-P215 HydrophobicContact CB-CG 3.88Å; P215-G217 PolarHBondContact O-N 3.27Å; P215-I218 PolarHBondContact O-N 3Å; P215-F269 HydrophobicContact CB-CB 4.05Å; P215-F269 HydrophobicContact CB-CD1 3.6Å; P215-F269 HydrophobicContact CB-CE1 4.19Å; P215-F269 HydrophobicContact CB-CG 3.86Å; P215-F269 HydrophobicContact CG-CD1 4.14Å; P215-F269 HydrophobicContact CG-CE1 4.22Å; P215-F269 WeakPolarHBondContact O-CB 3.45Å
216	K	98.2	Very high	98.2	Very high	194 Å²	194	41.3 Å²	41.3	84%	0.843	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-69.7	-11.6	-175.8	-63.5	-174.9	179.3	-177.8	0	113.8	G214 G266	G214-K216 PolarHBondContact O-N 2.72Å; K216-G266 WeakPolarHBondContact O-CA 3.41Å
217	G	98.3	Very high	98.2	Very high	2 Å²	2	42.5 Å²	42.5	2%	0.021	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-93	0.9	176.6	0	0	0	0	0	114.3	R209 T210 G211 G212 G214 P215	R209-G217 CarbonylContact C-O 3.59Å; R209-G217 WeakPolarHBondContact CA-O 3.43Å; T210-G217 PolarHBondContact N-O 2.82Å; G211-G217 PolarHBondContact N-O 3.24Å; G212-G217 WeakPolarHBondContact O-CA 3.21Å; G214-G217 PolarHBondContact O-N 2.76Å; P215-G217 PolarHBondContact O-N 3.27Å
218	I	98.9	Very high	98.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	133.4	-174.9	-62.1	168.2	0	0	0	109.9	L175 M207 C208 P215 G266 Q267 G268 F269	L175-I218 HydrophobicContact CD1-CG1 4.28Å; L175-I218 HydrophobicContact CD2-CD1 3.69Å; L175-I218 HydrophobicContact CD2-CG1 4.08Å; L175-I218 HydrophobicContact CD2-CG2 4.02Å; L175-I218 HydrophobicContact CG-CD1 3.88Å; L175-I218 HydrophobicContact CG-CG1 4.13Å; M207-I218 HydrophobicContact CB-CG2 4.14Å; M207-I218 HydrophobicContact SD-CG2 4.43Å; C208-I218 CarbonylContact O-C 3.56Å; C208-I218 WeakPolarHBondContact O-CA 3.18Å; P215-I218 PolarHBondContact O-N 3Å; I218-G266 CarbonylContact O-C 3.55Å; I218-G266 WeakPolarHBondContact O-CA 3.48Å; I218-Q267 PolarHBondContact O-N 2.86Å; I218-G268 WeakPolarHBondContact O-CA 3.38Å; I218-G268 PolarHBondContact O-N 3Å; I218-F269 HydrophobicContact CB-CB 4.23Å; I218-F269 HydrophobicContact CD1-CB 4.25Å; I218-F269 HydrophobicContact CD1-CD2 3.76Å; I218-F269 HydrophobicContact CD1-CG 4.36Å
219	S	98.9	Very high	98.1	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	164.3	174.7	-62.5	0	0	0	0	110.8	M207 C208 T210 E265 G266	M207-S219 WeakPolarHBondContact CA-O 3.36Å; C208-S219 PolarHBondContact N-O 3.02Å; C208-S219 PolarHBondContact O-N 3.27Å; T210-S219 PolarHBondContact OG1-OG 3.41Å; S219-E265 WeakPolarHBondContact OG-CA 3.27Å; S219-G266 PolarHBondContact OG-N 3.26Å
220	C	98.9	Very high	98.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	123.6	177.8	-172.5	0	0	0	0	109.6	V205 V206 M207 R261 L262 I271	V205-C220 VanDerWaalsContact CG1-SG 3.5Å; V206-C220 WeakPolarHBondContact O-CA 3.22Å; M207-C220 HydrophobicContact CE-CB 3.93Å; M207-C220 VanDerWaalsContact CE-SG 3.55Å; M207-C220 HydrophobicContact SD-CB 3.86Å; C220-R261 WeakPolarHBondContact O-CA 3.38Å; C220-R261 WeakPolarHBondContact O-CG 2.99Å; C220-L262 HydrophobicContact CB-CB 4.15Å; C220-L262 PolarHBondContact O-N 2.9Å; C220-I271 HydrophobicContact CB-CD1 4Å
221	L	98.9	Very high	98.1	Very high	0 Å²	0	49 Å²	49	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	138.7	177.8	-65.6	177.7	0	0	0	110.1	A179 Y186 L188 V206 C208 R261	A179-L221 HydrophobicContact CB-CD1 3.94Å; Y186-L221 HydrophobicContact CD2-CD1 4.16Å; Y186-L221 HydrophobicContact CD2-CD2 3.78Å; Y186-L221 HydrophobicContact CE2-CD2 4.01Å; Y186-L221 HydrophobicContact CG-CD1 4.07Å; Y186-L221 HydrophobicContact CG-CD2 4.47Å; L188-L221 HydrophobicContact CD1-CD1 3.66Å; L188-L221 HydrophobicContact CD2-CD1 4.23Å; L188-L221 HydrophobicContact CG-CD1 4.24Å; V206-L221 PolarHBondContact N-O 3.46Å; V206-L221 PolarHBondContact O-N 2.83Å; C208-L221 WeakPolarHBondContact SG-CD1 3.28Å; L221-R261 HydrophobicContact CD2-CB 3.56Å; L221-R261 HydrophobicContact CD2-CG 3.84Å
222	V	98.9	Very high	98.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	121.1	167.7	-175.2	0	0	0	0	109	I136 F148 V203 Y204 N260 L262	I136-V222 HydrophobicContact CD1-CG2 4.17Å; I136-V222 HydrophobicContact CG1-CG2 4.01Å; F148-V222 HydrophobicContact CD1-CG1 4.33Å; F148-V222 HydrophobicContact CD2-CG1 4.38Å; F148-V222 HydrophobicContact CE1-CG1 3.92Å; F148-V222 HydrophobicContact CE2-CB 4.25Å; F148-V222 HydrophobicContact CE2-CG1 3.98Å; F148-V222 HydrophobicContact CZ-CB 4.29Å; F148-V222 HydrophobicContact CZ-CG1 3.73Å; V203-V222 HydrophobicContact CG1-CG1 3.49Å; V203-V222 VanDerWaalsContact CG1-CG1 3.49Å; Y204-V222 CarbonylContact O-C 3.48Å; Y204-V222 WeakPolarHBondContact O-CA 3.34Å; V222-N260 HydrophobicContact CB-CB 4.38Å; V222-N260 PolarHBondContact N-O 2.64Å; V222-N260 VanDerWaalsContact O-CB 3.24Å; V222-N260 WeakPolarHBondContact O-CB 3.49Å; V222-N260 PolarHBondContact O-ND2 3.38Å; V222-L262 HydrophobicContact CG2-CD1 3.93Å; V222-L262 HydrophobicContact CG2-CD2 3.76Å; V222-L262 HydrophobicContact CG2-CG 3.82Å
223	V	98.9	Very high	98.3	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.006	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	132.1	177.3	-170.9	0	0	0	0	108.8	L188 Y204 V206 L230 F251 V256	L188-V223 HydrophobicContact CD2-CG2 4.07Å; Y204-V223 WeakPolarHBondContact CB-O 3.42Å; Y204-V223 PolarHBondContact N-O 2.87Å; Y204-V223 PolarHBondContact O-N 3.07Å; V206-V223 HydrophobicContact CB-CG2 4.31Å; V206-V223 HydrophobicContact CG2-CB 4.21Å; V206-V223 HydrophobicContact CG2-CG2 3.68Å; V223-L230 HydrophobicContact CG1-CD2 4.06Å; V223-F251 HydrophobicContact CG1-CE1 4.3Å; V223-F251 HydrophobicContact CG2-CE1 4.27Å; V223-V256 HydrophobicContact CG1-CG2 4.06Å; V223-V256 HydrophobicContact CG2-CG1 4.37Å; V223-V256 HydrophobicContact CG2-CG2 3.84Å
224	E	98.8	Very high	98.5	Very high	48 Å²	48	45.7 Å²	45.7	22%	0.224	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	146.9	179.7	-73.1	162.6	114.2	0	0	110.9	R147 F148 D202 G226 T227 L230	R147-E224 IonicContact CZ-OE1 3.52Å; R147-E224 IonicContact CZ-OE2 3.97Å; R147-E224 IonicContact NH2-OE1 3.23Å; R147-E224 PolarHBondContact NH2-OE1 3.4Å; R147-E224 IonicContact NH2-OE2 2.92Å; R147-E224 PolarHBondContact NH2-OE2 3.24Å; F148-E224 HydrophobicContact CE1-CG 4.05Å; D202-E224 CarbonylContact O-C 3.46Å; D202-E224 WeakPolarHBondContact O-CA 3.43Å; E224-G226 PolarHBondContact O-N 2.91Å; E224-T227 WeakPolarHBondContact O-CB 3.47Å; E224-T227 PolarHBondContact O-N 3.41Å; E224-T227 PolarHBondContact O-OG1 3.29Å; E224-L230 WeakPolarHBondContact O-CD2 3.11Å
225	K	98.6	Very high	98.6	Very high	98 Å²	98	47.6 Å²	47.6	43%	0.426	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	132.8	171	-177.4	167.7	173.1	166.3	0	109.6	G199 T201 D202 Y204	G199-K225 PolarHBondContact O-NZ 3.44Å; T201-K225 VanDerWaalsContact O-CD 3.23Å; T201-K225 WeakPolarHBondContact O-CD 3.46Å; D202-K225 PolarHBondContact O-N 2.97Å; Y204-K225 HydrophobicContact CE2-CB 4.16Å
226	G	98.3	Very high	98.6	Very high	66 Å²	66	47.7 Å²	47.7	68%	0.68	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.7	-6.4	-178.4	0	0	0	0	0	114.2	E224 P228	E224-G226 PolarHBondContact O-N 2.91Å; G226-P228 WeakPolarHBondContact O-CD 3.07Å
227	T	98.6	Very high	98.6	Very high	25 Å²	25	46 Å²	46	15%	0.153	26%	0.256	C	S	.	.			trans	-56.8	125.5	167.6	-59.6	0	0	0	0	109.9	E224 G229 L230 S255 V256	E224-T227 WeakPolarHBondContact O-CB 3.47Å; E224-T227 PolarHBondContact O-N 3.41Å; E224-T227 PolarHBondContact O-OG1 3.29Å; T227-G229 PolarHBondContact O-N 3.14Å; T227-L230 VanDerWaalsContact O-CB 3.25Å; T227-L230 WeakPolarHBondContact O-CB 3.17Å; T227-L230 PolarHBondContact O-N 2.93Å; T227-S255 VanDerWaalsContact CG2-O 3.22Å; T227-S255 WeakPolarHBondContact CG2-O 3.3Å; T227-V256 HydrophobicContact CG2-CG2 4.48Å
228	P	98.6	Very high	98.6	Very high	110 Å²	110	48.7 Å²	48.7	71%	0.714	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	136.2	176.9	-27.1	35.6	0	0	0	111.8	G226 L230 C254	G226-P228 WeakPolarHBondContact O-CD 3.07Å; P228-L230 VanDerWaalsContact C-N 3.33Å; P228-C254 WeakPolarHBondContact O-CA 3.39Å
229	G	98.4	Very high	98.6	Very high	30 Å²	30	54 Å²	54	31%	0.309	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.1	-8.8	-174.6	0	0	0	0	0	114.7	T227 F251 E252	T227-G229 PolarHBondContact O-N 3.14Å; G229-F251 WeakPolarHBondContact O-CA 3.33Å; G229-E252 WeakPolarHBondContact CA-O 3.34Å; G229-E252 PolarHBondContact O-N 3.26Å
230	L	98.9	Very high	98.6	Very high	22 Å²	22	54.3 Å²	54.3	12%	0.115	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	122.9	168	177.7	61.8	0	0	0	110.5	Y204 V223 E224 T227 P228 F232 V249 F251	Y204-L230 HydrophobicContact CD2-CD2 4.21Å; Y204-L230 HydrophobicContact CE2-CD2 4.3Å; V223-L230 HydrophobicContact CG1-CD2 4.06Å; E224-L230 WeakPolarHBondContact O-CD2 3.11Å; T227-L230 VanDerWaalsContact O-CB 3.25Å; T227-L230 WeakPolarHBondContact O-CB 3.17Å; T227-L230 PolarHBondContact O-N 2.93Å; P228-L230 VanDerWaalsContact C-N 3.33Å; L230-F232 HydrophobicContact CD1-CE1 4.22Å; L230-F232 HydrophobicContact CD1-CZ 4.29Å; L230-F232 HydrophobicContact CD2-CZ 3.94Å; L230-F232 HydrophobicContact CG-CE1 4.34Å; L230-F232 HydrophobicContact CG-CE2 4.48Å; L230-F232 HydrophobicContact CG-CZ 3.91Å; L230-V249 HydrophobicContact CD1-CG1 3.41Å; L230-V249 VanDerWaalsContact CD1-CG1 3.41Å; L230-F251 HydrophobicContact CD1-CD1 3.98Å; L230-F251 HydrophobicContact CD1-CE1 3.61Å; L230-F251 HydrophobicContact CD1-CZ 4.16Å
231	S	98.8	Very high	98.6	Very high	47 Å²	47	54.9 Å²	54.9	33%	0.329	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	171.9	174.2	71.5	0	0	0	0	112.3	I250	S231-I250 PolarHBondContact N-O 2.88Å; S231-I250 PolarHBondContact O-N 2.99Å
232	F	98.8	Very high	98.6	Very high	58 Å²	58	55.5 Å²	55.5	25%	0.254	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	140.4	-172.6	-53.9	-73.3	0	0	0	111.3	G199 Y204 L230 A248 V249	G199-F232 VanDerWaalsContact CA-CG 3.5Å; Y204-F232 AromaticContact CE1-CE1 3.63Å; Y204-F232 HydrophobicContact CE1-CE1 3.63Å; Y204-F232 HydrophobicContact CE1-CZ 4.26Å; Y204-F232 HydrophobicContact CE2-CE1 4.14Å; Y204-F232 AromaticContact CE2-CZ 3.93Å; Y204-F232 HydrophobicContact CE2-CZ 3.93Å; Y204-F232 AromaticContact CZ-CE1 3.39Å; Y204-F232 AromaticContact CZ-CZ 3.55Å; Y204-F232 WeakPolarHBondContact OH-CE1 3.3Å; Y204-F232 VanDerWaalsContact OH-CZ 3.23Å; Y204-F232 WeakPolarHBondContact OH-CZ 3.37Å; L230-F232 HydrophobicContact CD1-CE1 4.22Å; L230-F232 HydrophobicContact CD1-CZ 4.29Å; L230-F232 HydrophobicContact CD2-CZ 3.94Å; L230-F232 HydrophobicContact CG-CE1 4.34Å; L230-F232 HydrophobicContact CG-CE2 4.48Å; L230-F232 HydrophobicContact CG-CZ 3.91Å; F232-A248 WeakPolarHBondContact CA-O 3.29Å; F232-V249 HydrophobicContact CD1-CB 4.49Å; F232-V249 HydrophobicContact CD1-CG1 4.33Å; F232-V249 HydrophobicContact CD1-CG2 4Å; F232-V249 HydrophobicContact CE1-CG1 4.04Å; F232-V249 HydrophobicContact CE1-CG2 4.1Å
233	G	98.5	Very high	98.5	Very high	21 Å²	21	55.6 Å²	55.6	22%	0.216	31%	0.309	C	S	.	.			trans	-71.3	-173.9	172.6	0	0	0	0	0	113.1	R247 A248	G233-R247 WeakPolarHBondContact O-CD 3.49Å; G233-A248 PolarHBondContact N-O 3.32Å
234	K	98.2	Very high	98.4	Very high	154 Å²	154	55.6 Å²	55.6	67%	0.67	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-64.7	160.2	170.3	69.2	178.4	-178	-179.9	0	111.1	E236 R247	K234-E236 WeakPolarHBondContact CE-OE2 3.49Å; K234-E236 PolarHBondContact O-N 3.3Å; K234-R247 WeakPolarHBondContact O-CG 3.2Å
235	K	98.2	Very high	98.4	Very high	63 Å²	63	53.4 Å²	53.4	27%	0.274	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-72.4	121.5	167.3	-172.9	179.6	176.9	-176.7	0	110	E74	E74-K235 PolarHBondContact O-NZ 3.01Å; E74-K235 WeakPolarHBondContact OE2-CE 3.24Å; E74-K235 IonicContact OE2-NZ 3.34Å; E74-K235 PolarHBondContact OE2-NZ 3.01Å
236	E	98.5	Very high	98.4	Very high	62 Å²	62	49 Å²	49	29%	0.29	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-74.9	138.7	-179.7	-59.1	-56.5	164.4	0	0	111.9	K234 K238 T246	K234-E236 WeakPolarHBondContact CE-OE2 3.49Å; K234-E236 PolarHBondContact O-N 3.3Å; E236-K238 HydrophobicContact CB-CG 4.49Å; E236-T246 WeakPolarHBondContact CG-O 3.38Å; E236-T246 PolarHBondContact N-O 3.13Å
237	K	98.5	Very high	98.4	Very high	158 Å²	158	48.8 Å²	48.8	69%	0.687	26%	0.259	S	S	*	.	P	Polyproline II helix	trans	-85	125.8	171.9	-65.6	-56.7	-170.5	178.7	0	109.3	E74	E74-K237 WeakPolarHBondContact OE1-CD 3.41Å; E74-K237 IonicContact OE1-NZ 3.52Å; E74-K237 PolarHBondContact OE1-NZ 2.94Å; E74-K237 IonicContact OE2-NZ 3.56Å; E74-K237 PolarHBondContact OE2-NZ 3.35Å
238	K	98.7	Very high	98.4	Very high	60 Å²	60	48.8 Å²	48.8	26%	0.261	26%	0.262	S	S	.	.			trans	-127	164.9	-171.2	-56.1	-171.9	-59.2	-77.6	0	111.1	E236 G240 W241 N242 Q244 T246	E236-K238 HydrophobicContact CB-CG 4.49Å; K238-G240 VanDerWaalsContact CB-O 3.29Å; K238-G240 WeakPolarHBondContact CB-O 3.38Å; K238-G240 WeakPolarHBondContact CE-O 3.21Å; K238-W241 WeakPolarHBondContact CE-O 3.48Å; K238-W241 PolarHBondContact NZ-O 3.35Å; K238-W241 VanDerWaalsContact NZ-O 3.1Å; K238-N242 PolarHBondContact O-OD1 3.21Å; K238-Q244 PolarHBondContact NZ-O 3.16Å; K238-T246 HydrophobicContact CD-CG2 4.28Å; K238-T246 WeakPolarHBondContact CD-OG1 3.36Å; K238-T246 VanDerWaalsContact CE-OG1 3.22Å; K238-T246 WeakPolarHBondContact CE-OG1 3.29Å; K238-T246 PolarHBondContact NZ-OG1 2.91Å
239	V	98.8	Very high	98.4	Very high	110 Å²	110	43.6 Å²	43.6	67%	0.667	23%	0.228	S	C	*	.	S	Bend	trans	-72.5	-44.4	175.7	176	0	0	0	0	111.2	R392	V239-R392 HydrophobicContact CG1-CB 4.19Å; V239-R392 HydrophobicContact CG1-CG 3.99Å; V239-R392 WeakPolarHBondContact O-CD 3.42Å; V239-R392 PolarHBondContact O-NH1 3.02Å
240	G	98.7	Very high	98.5	Very high	8 Å²	8	44.3 Å²	44.3	8%	0.082	22%	0.224	C	C	.	.	S	Bend	trans	-143.5	-168.2	176.5	0	0	0	0	0	109.6	K238 N242 D393	K238-G240 VanDerWaalsContact CB-O 3.29Å; K238-G240 WeakPolarHBondContact CB-O 3.38Å; K238-G240 WeakPolarHBondContact CE-O 3.21Å; G240-N242 PolarHBondContact O-N 3.07Å; G240-D393 WeakPolarHBondContact CA-OD1 3.47Å
241	W	98.8	Very high	98.5	Very high	12 Å²	12	43.3 Å²	43.3	5%	0.045	22%	0.219	C	C	.	.			trans	55.9	37.7	-171.3	-78.5	23.6	0	0	0	112.4	S121 A124 I128 K238 Q244 I283 D393 V396 H397 L400	S121-W241 VanDerWaalsContact OG-C 3.26Å; S121-W241 WeakPolarHBondContact OG-CA 3.34Å; A124-W241 HydrophobicContact CB-CH2 3.75Å; A124-W241 HydrophobicContact CB-CZ2 3.25Å; I128-W241 HydrophobicContact CD1-CH2 4.33Å; I128-W241 HydrophobicContact CD1-CZ3 4.11Å; K238-W241 WeakPolarHBondContact CE-O 3.48Å; K238-W241 PolarHBondContact NZ-O 3.35Å; K238-W241 VanDerWaalsContact NZ-O 3.1Å; W241-Q244 HydrophobicContact CB-CG 3.99Å; W241-Q244 VanDerWaalsContact CD2-NE2 3.33Å; W241-Q244 HydrophobicContact CE3-CG 4.38Å; W241-Q244 VanDerWaalsContact O-CG 3.24Å; W241-Q244 WeakPolarHBondContact O-CG 3.42Å; W241-I283 HydrophobicContact CH2-CD1 4.32Å; W241-I283 HydrophobicContact CZ2-CD1 4.32Å; W241-D393 PolarHBondContact N-OD1 2.97Å; W241-D393 PolarHBondContact NE1-O 3.36Å; W241-D393 VanDerWaalsContact NE1-O 3.08Å; W241-V396 HydrophobicContact CD2-CG1 3.66Å; W241-V396 VanDerWaalsContact CE2-CG1 3.5Å; W241-V396 HydrophobicContact CE3-CG1 4.24Å; W241-V396 HydrophobicContact CG-CG1 3.93Å; W241-V396 HydrophobicContact CZ2-CG1 3.96Å; W241-H397 AromaticContact CE2-CD2 3.77Å; W241-H397 AromaticContact CE2-NE2 3.49Å; W241-H397 AromaticContact CZ2-CD2 3.43Å; W241-H397 VanDerWaalsContact CZ2-CD2 3.43Å; W241-H397 WeakPolarHBondContact CZ2-CD2 3.43Å; W241-H397 AromaticContact CZ2-NE2 3.31Å; W241-H397 VanDerWaalsContact CZ2-NE2 3.31Å; W241-H397 WeakPolarHBondContact CZ2-NE2 3.14Å; W241-H397 AromaticContact NE1-CD2 3.66Å; W241-H397 AromaticContact NE1-NE2 3.13Å; W241-H397 PolarHBondContact NE1-NE2 2.91Å; W241-H397 VanDerWaalsContact NE1-NE2 3.13Å; W241-L400 HydrophobicContact CE3-CD1 3.87Å; W241-L400 HydrophobicContact CH2-CD1 3.31Å; W241-L400 HydrophobicContact CZ2-CD1 4.04Å; W241-L400 HydrophobicContact CZ3-CD1 3.2Å
242	N	98.8	Very high	98.5	Very high	13 Å²	13	47.4 Å²	47.4	7%	0.07	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-26.6	-169.9	-73.2	-33.6	0	0	0	113.4	D71 E74 K238 G240 Q244 R392	D71-N242 WeakPolarHBondContact O-CB 3.49Å; D71-N242 WeakPolarHBondContact OD1-CB 3.22Å; D71-N242 PolarHBondContact OD1-ND2 3.37Å; E74-N242 WeakPolarHBondContact CA-O 3.4Å; E74-N242 WeakPolarHBondContact CB-O 3.27Å; E74-N242 HydrophobicContact CG-CB 4.24Å; K238-N242 PolarHBondContact O-OD1 3.21Å; G240-N242 PolarHBondContact O-N 3.07Å; N242-Q244 PolarHBondContact O-N 3.47Å; N242-R392 PolarHBondContact ND2-NH1 3.2Å
243	C	96.8	Very high	98.4	Very high	2 Å²	2	50 Å²	50	1%	0.014	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-5.3	-180	85.7	0	0	0	0	113.1	W70 V75 F76 S121 T122	W70-C243 HydrophobicContact CB-CB 3.83Å; V75-C243 VanDerWaalsContact O-CA 3.3Å; V75-C243 WeakPolarHBondContact O-CA 3.38Å; V75-C243 VanDerWaalsContact O-CB 3.25Å; V75-C243 WeakPolarHBondContact O-CB 3.25Å; V75-C243 VanDerWaalsContact O-O 3.1Å; F76-C243 VanDerWaalsContact CA-O 3.27Å; F76-C243 WeakPolarHBondContact CA-O 3.48Å; F76-C243 WeakPolarHBondContact CD2-O 3.47Å; S121-C243 VanDerWaalsContact CB-SG 3.52Å; S121-C243 PolarHBondContact OG-N 3.47Å; S121-C243 PolarHBondContact OG-SG 3.19Å; T122-C243 PolarHBondContact N-SG 3.02Å; T122-C243 VanDerWaalsContact N-SG 3.44Å; T122-C243 PolarHBondContact OG1-SG 3.02Å
244	Q	97	Very high	98.5	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.239	C	C	.	.	S	Bend	trans	-110.7	122	172.6	50.9	176.4	-76.7	0	0	109	S121 Y125 S196 K238 W241 N242 T246	S121-Q244 PolarHBondContact O-NE2 3.41Å; Y125-Q244 HydrophobicContact CD2-CB 4.28Å; Y125-Q244 HydrophobicContact CG-CB 4.39Å; S196-Q244 PolarHBondContact OG-OE1 3.32Å; K238-Q244 PolarHBondContact NZ-O 3.16Å; W241-Q244 HydrophobicContact CB-CG 3.99Å; W241-Q244 VanDerWaalsContact CD2-NE2 3.33Å; W241-Q244 HydrophobicContact CE3-CG 4.38Å; W241-Q244 VanDerWaalsContact O-CG 3.24Å; W241-Q244 WeakPolarHBondContact O-CG 3.42Å; N242-Q244 PolarHBondContact O-N 3.47Å; Q244-T246 PolarHBondContact O-N 3.03Å
245	P	97.9	Very high	98.5	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.019	22%	0.224	C	C	.	.			trans	-64.2	136.8	178	23.6	-27.1	0	0	0	108.7	F76 S196 G197 D200	F76-P245 HydrophobicContact CD2-CG 4.48Å; F76-P245 HydrophobicContact CG-CG 4.41Å; S196-P245 CarbonylContact C-O 3.58Å; G197-P245 PolarHBondContact N-O 3.47Å; D200-P245 HydrophobicContact CB-CG 3.64Å; D200-P245 VanDerWaalsContact OD2-CB 3.26Å; D200-P245 WeakPolarHBondContact OD2-CB 3.42Å; D200-P245 VanDerWaalsContact OD2-CG 3.24Å; D200-P245 WeakPolarHBondContact OD2-CG 3.27Å
246	T	98.8	Very high	98.5	Very high	6 Å²	6	41.1 Å²	41.1	4%	0.037	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	121.9	176.2	-57	0	0	0	0	106.7	F194 I195 E236 K238 Q244	F194-T246 HydrophobicContact CB-CG2 4.2Å; F194-T246 HydrophobicContact CD1-CG2 4.5Å; I195-T246 WeakPolarHBondContact O-CA 3.43Å; E236-T246 WeakPolarHBondContact CG-O 3.38Å; E236-T246 PolarHBondContact N-O 3.13Å; K238-T246 HydrophobicContact CD-CG2 4.28Å; K238-T246 WeakPolarHBondContact CD-OG1 3.36Å; K238-T246 VanDerWaalsContact CE-OG1 3.22Å; K238-T246 WeakPolarHBondContact CE-OG1 3.29Å; K238-T246 PolarHBondContact NZ-OG1 2.91Å; Q244-T246 PolarHBondContact O-N 3.03Å
247	R	98.7	Very high	98.5	Very high	60 Å²	60	40.2 Å²	40.2	23%	0.226	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	162.1	-177.5	-53.8	-168.3	-166.3	-151.7	6.8	110.4	I195 G198 D200 G233 K234	I195-R247 PolarHBondContact N-O 3.2Å; I195-R247 PolarHBondContact O-N 3.21Å; G198-R247 WeakPolarHBondContact O-CD 3.31Å; G198-R247 WeakPolarHBondContact O-CG 3.37Å; G198-R247 PolarHBondContact O-NE 3.04Å; G198-R247 VanDerWaalsContact O-NE 3.11Å; D200-R247 IonicContact OD1-NH2 3.89Å; D200-R247 IonicContact OD2-CZ 3.01Å; D200-R247 IonicContact OD2-NE 3.93Å; D200-R247 IonicContact OD2-NH2 2.87Å; D200-R247 PolarHBondContact OD2-NH2 3.39Å; G233-R247 WeakPolarHBondContact O-CD 3.49Å; K234-R247 WeakPolarHBondContact O-CG 3.2Å
248	A	98.8	Very high	98.5	Very high	26 Å²	26	33.6 Å²	33.6	22%	0.215	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	144.4	157.1	0	0	0	0	0	109.9	K192 F232 G233 I250	K192-A248 CarbonylContact O-C 3.04Å; K192-A248 WeakPolarHBondContact O-CA 3.34Å; K192-A248 WeakPolarHBondContact O-CB 3.3Å; F232-A248 WeakPolarHBondContact CA-O 3.29Å; G233-A248 PolarHBondContact N-O 3.32Å; A248-I250 HydrophobicContact CB-CG1 4.43Å
249	V	98.9	Very high	98.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	122.4	169.4	-178.9	0	0	0	0	107.2	S191 K192 I195 Y204 L230 F232 F251	S191-V249 CarbonylContact C-O 3.54Å; S191-V249 WeakPolarHBondContact CA-O 3.44Å; K192-V249 HydrophobicContact CB-CB 4.25Å; K192-V249 PolarHBondContact N-O 3.38Å; K192-V249 PolarHBondContact O-N 3.01Å; I195-V249 HydrophobicContact CB-CG2 3.7Å; I195-V249 HydrophobicContact CG1-CB 4.23Å; I195-V249 HydrophobicContact CG1-CG2 3.62Å; I195-V249 HydrophobicContact CG2-CG2 3.84Å; Y204-V249 HydrophobicContact CD1-CG1 4.37Å; Y204-V249 HydrophobicContact CD1-CG2 4.22Å; Y204-V249 HydrophobicContact CE1-CG2 4.01Å; L230-V249 HydrophobicContact CD1-CG1 3.41Å; L230-V249 VanDerWaalsContact CD1-CG1 3.41Å; F232-V249 HydrophobicContact CD1-CB 4.49Å; F232-V249 HydrophobicContact CD1-CG1 4.33Å; F232-V249 HydrophobicContact CD1-CG2 4Å; F232-V249 HydrophobicContact CE1-CG1 4.04Å; F232-V249 HydrophobicContact CE1-CG2 4.1Å; V249-F251 HydrophobicContact CB-CE2 4.48Å; V249-F251 HydrophobicContact CG1-CE1 4.27Å; V249-F251 HydrophobicContact CG1-CE2 3.87Å; V249-F251 HydrophobicContact CG1-CZ 3.59Å
250	I	98.9	Very high	98.4	Very high	45 Å²	45	30.5 Å²	30.5	23%	0.231	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	136	-167.6	-59.8	159.8	0	0	0	108.5	S231 A248 E252	S231-I250 PolarHBondContact N-O 2.88Å; S231-I250 PolarHBondContact O-N 2.99Å; A248-I250 HydrophobicContact CB-CG1 4.43Å; I250-E252 HydrophobicContact CG2-CG 4.15Å
251	F	98.9	Very high	98.5	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.009	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	117.9	178.7	-52.6	-89.1	0	0	0	108.4	T177 L188 N189 G190 K192 V206 V223 G229 L230 V249 C254	T177-F251 HydrophobicContact CG2-CD2 4.18Å; L188-F251 HydrophobicContact CB-CB 3.92Å; L188-F251 HydrophobicContact CB-CD1 4.2Å; L188-F251 HydrophobicContact CB-CG 4.18Å; L188-F251 HydrophobicContact CD2-CD1 3.97Å; L188-F251 HydrophobicContact CD2-CE1 4.12Å; L188-F251 HydrophobicContact CD2-CG 4.42Å; N189-F251 WeakPolarHBondContact CA-O 3.45Å; G190-F251 PolarHBondContact N-O 2.88Å; G190-F251 PolarHBondContact O-N 2.9Å; K192-F251 HydrophobicContact CG-CE2 3.88Å; V206-F251 HydrophobicContact CB-CZ 4.49Å; V206-F251 HydrophobicContact CG1-CE2 4.19Å; V206-F251 HydrophobicContact CG1-CZ 3.92Å; V206-F251 HydrophobicContact CG2-CE1 4.18Å; V206-F251 HydrophobicContact CG2-CZ 3.7Å; V223-F251 HydrophobicContact CG1-CE1 4.3Å; V223-F251 HydrophobicContact CG2-CE1 4.27Å; G229-F251 WeakPolarHBondContact O-CA 3.33Å; L230-F251 HydrophobicContact CD1-CD1 3.98Å; L230-F251 HydrophobicContact CD1-CE1 3.61Å; L230-F251 HydrophobicContact CD1-CZ 4.16Å; V249-F251 HydrophobicContact CB-CE2 4.48Å; V249-F251 HydrophobicContact CG1-CE1 4.27Å; V249-F251 HydrophobicContact CG1-CE2 3.87Å; V249-F251 HydrophobicContact CG1-CZ 3.59Å; F251-C254 HydrophobicContact CB-CB 4.05Å; F251-C254 HydrophobicContact CD1-CB 4.09Å
252	E	98.8	Very high	98.4	Very high	132 Å²	132	31.8 Å²	31.8	62%	0.617	17%	0.174	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-126.4	105.3	175.9	-70.6	178	-174.7	0	0	108.4	G229 I250 C254	G229-E252 WeakPolarHBondContact CA-O 3.34Å; G229-E252 PolarHBondContact O-N 3.26Å; I250-E252 HydrophobicContact CG2-CG 4.15Å; E252-C254 PolarHBondContact O-N 3.06Å; E252-C254 VanDerWaalsContact O-N 3.08Å
253	D	98.6	Very high	98.4	Very high	112 Å²	112	32 Å²	32	60%	0.599	18%	0.18	S	C	*	.	E	Extended strand (participates in β ladder)	trans	46.4	38.8	-172.7	-66.9	-42.7	0	0	0	113.8	V187 L188 N189 S255	V187-D253 HydrophobicContact CG1-CB 4.13Å; L188-D253 PolarHBondContact O-N 3.39Å; N189-D253 PolarHBondContact ND2-OD1 3.39Å; N189-D253 PolarHBondContact OD1-N 2.81Å; D253-S255 PolarHBondContact O-N 2.88Å
254	C	98.8	Very high	98.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	110.4	-175	179	0	0	0	0	110.5	V187 L188 P228 F251 E252	V187-C254 WeakPolarHBondContact CA-O 3.39Å; L188-C254 HydrophobicContact CB-CB 4.17Å; L188-C254 PolarHBondContact N-O 3.19Å; L188-C254 PolarHBondContact O-N 3.21Å; P228-C254 WeakPolarHBondContact O-CA 3.39Å; F251-C254 HydrophobicContact CB-CB 4.05Å; F251-C254 HydrophobicContact CD1-CB 4.09Å; E252-C254 PolarHBondContact O-N 3.06Å; E252-C254 VanDerWaalsContact O-N 3.08Å
255	S	98.4	Very high	98.5	Very high	53 Å²	53	41.7 Å²	41.7	37%	0.371	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	115.4	-175.7	-170.1	0	0	0	0	111.6	Y186 T227 D253	Y186-S255 CarbonylContact O-C 3.54Å; Y186-S255 WeakPolarHBondContact O-CA 3.31Å; T227-S255 VanDerWaalsContact CG2-O 3.22Å; T227-S255 WeakPolarHBondContact CG2-O 3.3Å; D253-S255 PolarHBondContact O-N 2.88Å
256	V	98.6	Very high	98.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	128.9	-175.7	-179.5	0	0	0	0	109.2	H185 Y186 L188 V223 T227 A258 N260	H185-V256 CarbonylContact C-O 3.58Å; H185-V256 VanDerWaalsContact CA-O 3.27Å; H185-V256 WeakPolarHBondContact CA-O 3.4Å; Y186-V256 PolarHBondContact N-O 3.49Å; Y186-V256 PolarHBondContact O-N 3.3Å; L188-V256 HydrophobicContact CD1-CB 4.03Å; L188-V256 HydrophobicContact CD1-CG2 3.71Å; L188-V256 HydrophobicContact CD2-CG2 4.39Å; V223-V256 HydrophobicContact CG1-CG2 4.06Å; V223-V256 HydrophobicContact CG2-CG1 4.37Å; V223-V256 HydrophobicContact CG2-CG2 3.84Å; T227-V256 HydrophobicContact CG2-CG2 4.48Å; V256-A258 PolarHBondContact O-N 3Å; V256-N260 HydrophobicContact CG1-CB 3.92Å
257	P	98.4	Very high	98.5	Very high	43 Å²	43	45.9 Å²	45.9	28%	0.279	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.6	138.6	175.7	-25.9	34.9	0	0	0	112.5	H185 T259 N260	H185-P257 WeakPolarHBondContact ND1-CA 3.46Å; P257-T259 WeakPolarHBondContact CB-OG1 3.45Å; P257-T259 PolarHBondContact O-N 3.11Å; P257-N260 WeakPolarHBondContact O-CB 3.39Å; P257-N260 PolarHBondContact O-N 3.14Å
258	A	98.3	Very high	98.5	Very high	19 Å²	19	43 Å²	43	16%	0.157	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-62.9	-25	175.9	0	0	0	0	0	112	D184 Y186 V256 N260 R261	D184-A258 VanDerWaalsContact O-CB 3.24Å; D184-A258 WeakPolarHBondContact O-CB 3.46Å; D184-A258 PolarHBondContact O-N 3.24Å; Y186-A258 HydrophobicContact CD2-CB 4.2Å; Y186-A258 HydrophobicContact CE2-CB 3.85Å; V256-A258 PolarHBondContact O-N 3Å; A258-N260 PolarHBondContact O-N 3.22Å; A258-R261 WeakPolarHBondContact O-CB 3.23Å; A258-R261 PolarHBondContact O-N 3Å; A258-R261 VanDerWaalsContact O-N 3.14Å
259	T	98.2	Very high	98.5	Very high	102 Å²	102	43.3 Å²	43.3	63%	0.626	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-66.7	-10.6	171.9	53.4	0	0	0	0	113.6	Q144 P257 R261	Q144-T259 PolarHBondContact NE2-O 3.38Å; P257-T259 WeakPolarHBondContact CB-OG1 3.45Å; P257-T259 PolarHBondContact O-N 3.11Å; T259-R261 VanDerWaalsContact C-N 3.32Å
260	N	98.6	Very high	98.5	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.011	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-88.5	4	172.1	-74.8	24.9	0	0	0	113	R147 V222 V256 P257 A258	R147-N260 PolarHBondContact NH1-OD1 3.17Å; R147-N260 VanDerWaalsContact NH1-OD1 3.16Å; V222-N260 HydrophobicContact CB-CB 4.38Å; V222-N260 PolarHBondContact N-O 2.64Å; V222-N260 VanDerWaalsContact O-CB 3.24Å; V222-N260 WeakPolarHBondContact O-CB 3.49Å; V222-N260 PolarHBondContact O-ND2 3.38Å; V256-N260 HydrophobicContact CG1-CB 3.92Å; P257-N260 WeakPolarHBondContact O-CB 3.39Å; P257-N260 PolarHBondContact O-N 3.14Å; A258-N260 PolarHBondContact O-N 3.22Å
261	R	98.8	Very high	98.5	Very high	47 Å²	47	46.2 Å²	46.2	18%	0.177	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	124.4	176.3	-169.8	-174.8	71.9	-140.5	3.9	111.6	Q144 Y186 C220 L221 A258 T259 G263 E264	Q144-R261 PolarHBondContact NE2-O 3.42Å; Y186-R261 HydrophobicContact CE2-CB 4.42Å; Y186-R261 PolarHBondContact OH-NH1 2.87Å; C220-R261 WeakPolarHBondContact O-CA 3.38Å; C220-R261 WeakPolarHBondContact O-CG 2.99Å; L221-R261 HydrophobicContact CD2-CB 3.56Å; L221-R261 HydrophobicContact CD2-CG 3.84Å; A258-R261 WeakPolarHBondContact O-CB 3.23Å; A258-R261 PolarHBondContact O-N 3Å; A258-R261 VanDerWaalsContact O-N 3.14Å; T259-R261 VanDerWaalsContact C-N 3.32Å; R261-G263 PolarHBondContact NE-O 3.23Å; R261-E264 IonicContact NH2-OE2 2.73Å; R261-E264 PolarHBondContact NH2-OE2 3.05Å; R261-E264 VanDerWaalsContact NH2-OE2 3.17Å
262	L	98.6	Very high	98.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	121.9	173.6	-53.8	-175.2	0	0	0	109.4	I136 F139 C220 V222 I271	I136-L262 HydrophobicContact CB-CD1 4.48Å; I136-L262 HydrophobicContact CG1-CD1 3.88Å; I136-L262 HydrophobicContact CG1-CD2 4.45Å; I136-L262 HydrophobicContact CG2-CD2 4.43Å; F139-L262 HydrophobicContact CB-CB 4.45Å; C220-L262 HydrophobicContact CB-CB 4.15Å; C220-L262 PolarHBondContact O-N 2.9Å; V222-L262 HydrophobicContact CG2-CD1 3.93Å; V222-L262 HydrophobicContact CG2-CD2 3.76Å; V222-L262 HydrophobicContact CG2-CG 3.82Å; L262-I271 HydrophobicContact CB-CD1 4.32Å
263	G	98.1	Very high	98.3	Very high	19 Å²	19	42.5 Å²	42.5	20%	0.196	23%	0.234	C	C	.	.	S	Bend	trans	62.8	-159.1	-174	0	0	0	0	0	114	F139 R261	F139-G263 PolarHBondContact O-N 3.34Å; F139-G263 VanDerWaalsContact O-N 3.13Å; R261-G263 PolarHBondContact NE-O 3.23Å
264	E	98.1	Very high	98.2	Very high	116 Å²	116	42.8 Å²	42.8	54%	0.542	23%	0.23	S	C	.	.	S	Bend	trans	-85.3	159.9	-178.7	-60.8	-54.7	145.8	0	0	113.1	R261 G266 Q267	R261-E264 IonicContact NH2-OE2 2.73Å; R261-E264 PolarHBondContact NH2-OE2 3.05Å; R261-E264 VanDerWaalsContact NH2-OE2 3.17Å; E264-G266 PolarHBondContact O-N 2.74Å; E264-Q267 HydrophobicContact CB-CG 3.98Å; E264-Q267 WeakPolarHBondContact O-CB 3.38Å; E264-Q267 PolarHBondContact O-N 3.35Å; E264-Q267 VanDerWaalsContact O-N 3.14Å
265	E	98.4	Very high	98.1	Very high	88 Å²	88	42.9 Å²	42.9	41%	0.411	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	135.9	169.8	-69.3	-171.4	157.7	0	0	110.8	Y186 S219 Q267	Y186-E265 WeakPolarHBondContact CE1-OE1 3.39Å; Y186-E265 VanDerWaalsContact CZ-OE1 3.31Å; Y186-E265 VanDerWaalsContact OH-CD 3.31Å; Y186-E265 WeakPolarHBondContact OH-CG 3.29Å; Y186-E265 PolarHBondContact OH-OE1 3.45Å; S219-E265 WeakPolarHBondContact OG-CA 3.27Å; E265-Q267 VanDerWaalsContact C-N 3.3Å; E265-Q267 PolarHBondContact O-N 2.96Å
266	G	98.2	Very high	98	Very high	17 Å²	17	41.2 Å²	41.2	18%	0.175	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.8	-1.9	-179	0	0	0	0	0	115.2	K216 I218 S219 E264	K216-G266 WeakPolarHBondContact O-CA 3.41Å; I218-G266 CarbonylContact O-C 3.55Å; I218-G266 WeakPolarHBondContact O-CA 3.48Å; S219-G266 PolarHBondContact OG-N 3.26Å; E264-G266 PolarHBondContact O-N 2.74Å
267	Q	98.4	Very high	97.8	Very high	80 Å²	80	42.2 Å²	42.2	37%	0.374	22%	0.222	S	C	.	.			trans	-88.1	-8.4	175.8	-67.5	-171.8	-23.2	0	0	114.4	I218 E264 E265 F269 N270 I271	I218-Q267 PolarHBondContact O-N 2.86Å; E264-Q267 HydrophobicContact CB-CG 3.98Å; E264-Q267 WeakPolarHBondContact O-CB 3.38Å; E264-Q267 PolarHBondContact O-N 3.35Å; E264-Q267 VanDerWaalsContact O-N 3.14Å; E265-Q267 VanDerWaalsContact C-N 3.3Å; E265-Q267 PolarHBondContact O-N 2.96Å; Q267-F269 VanDerWaalsContact C-N 3.35Å; Q267-F269 PolarHBondContact O-N 3.44Å; Q267-N270 WeakPolarHBondContact O-CB 3.46Å; Q267-N270 PolarHBondContact O-N 3.31Å; Q267-I271 PolarHBondContact O-N 3.34Å; Q267-I271 VanDerWaalsContact O-N 3.09Å
268	G	98.6	Very high	97.8	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-58	-41.4	-172.8	0	0	0	0	0	113.7	M207 I218 N270 I271 A272	M207-G268 WeakPolarHBondContact CE-O 3.49Å; I218-G268 WeakPolarHBondContact O-CA 3.38Å; I218-G268 PolarHBondContact O-N 3Å; G268-N270 VanDerWaalsContact C-N 3.32Å; G268-N270 PolarHBondContact O-N 3.1Å; G268-I271 WeakPolarHBondContact O-CB 3.45Å; G268-I271 PolarHBondContact O-N 3.25Å; G268-A272 WeakPolarHBondContact O-CB 3.22Å; G268-A272 PolarHBondContact O-N 3.07Å
269	F	98.2	Very high	97.8	Very high	32 Å²	32	39.5 Å²	39.5	14%	0.14	20%	0.204	C	C	.	.	H	α-helix	trans	-66.4	-34.4	178.5	-162.8	-101.5	0	0	0	112.6	A172 A173 P215 I218 Q267 A272 M273	A172-F269 HydrophobicContact CB-CE2 4.18Å; A173-F269 HydrophobicContact CB-CD2 4.27Å; A173-F269 HydrophobicContact CB-CE2 3.71Å; A173-F269 HydrophobicContact CB-CZ 3.88Å; P215-F269 HydrophobicContact CB-CB 4.05Å; P215-F269 HydrophobicContact CB-CD1 3.6Å; P215-F269 HydrophobicContact CB-CE1 4.19Å; P215-F269 HydrophobicContact CB-CG 3.86Å; P215-F269 HydrophobicContact CG-CD1 4.14Å; P215-F269 HydrophobicContact CG-CE1 4.22Å; P215-F269 WeakPolarHBondContact O-CB 3.45Å; I218-F269 HydrophobicContact CB-CB 4.23Å; I218-F269 HydrophobicContact CD1-CB 4.25Å; I218-F269 HydrophobicContact CD1-CD2 3.76Å; I218-F269 HydrophobicContact CD1-CG 4.36Å; Q267-F269 VanDerWaalsContact C-N 3.35Å; Q267-F269 PolarHBondContact O-N 3.44Å; F269-A272 WeakPolarHBondContact O-CB 3.44Å; F269-A272 PolarHBondContact O-N 3.44Å; F269-M273 HydrophobicContact CD1-CE 4.49Å; F269-M273 HydrophobicContact CD1-CG 3.9Å; F269-M273 HydrophobicContact CD2-CE 4.36Å; F269-M273 HydrophobicContact CE1-CE 3.96Å; F269-M273 HydrophobicContact CE1-CG 3.68Å; F269-M273 HydrophobicContact CE1-SD 3.86Å; F269-M273 HydrophobicContact CE2-CE 3.79Å; F269-M273 HydrophobicContact CZ-CE 3.58Å; F269-M273 HydrophobicContact CZ-CG 4.28Å; F269-M273 HydrophobicContact CZ-SD 3.92Å; F269-M273 WeakPolarHBondContact O-CG 3.24Å; F269-M273 PolarHBondContact O-N 3.48Å
270	N	98.1	Very high	97.8	Very high	104 Å²	104	35.2 Å²	35.2	56%	0.556	18%	0.176	S	C	*	.	H	α-helix	trans	-67.4	-40.9	175.2	-69.8	-18.9	0	0	0	111.3	Q267 G268 M273 K274	Q267-N270 WeakPolarHBondContact O-CB 3.46Å; Q267-N270 PolarHBondContact O-N 3.31Å; G268-N270 VanDerWaalsContact C-N 3.32Å; G268-N270 PolarHBondContact O-N 3.1Å; N270-M273 PolarHBondContact O-N 3.31Å; N270-K274 WeakPolarHBondContact O-CG 3.37Å; N270-K274 PolarHBondContact O-N 3.25Å
271	I	98.6	Very high	97.8	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.015	18%	0.176	C	C	.	.	H	α-helix	trans	-59.2	-48.2	173.2	-65.1	171.9	0	0	0	109.9	M135 F139 M207 C220 L262 Q267 G268 M273 K274 G275	M135-I271 HydrophobicContact CB-CG2 4.35Å; M135-I271 HydrophobicContact CG-CG2 3.98Å; M135-I271 HydrophobicContact SD-CG2 4.04Å; F139-I271 HydrophobicContact CB-CD1 3.9Å; F139-I271 HydrophobicContact CB-CG1 4.26Å; F139-I271 HydrophobicContact CD1-CD1 4.39Å; F139-I271 HydrophobicContact CD1-CG1 3.94Å; F139-I271 HydrophobicContact CD2-CB 4.26Å; F139-I271 HydrophobicContact CD2-CD1 4.35Å; F139-I271 HydrophobicContact CD2-CG1 3.89Å; F139-I271 HydrophobicContact CD2-CG2 3.64Å; F139-I271 HydrophobicContact CE1-CG1 4.26Å; F139-I271 HydrophobicContact CE2-CB 4.35Å; F139-I271 HydrophobicContact CE2-CG1 4.22Å; F139-I271 HydrophobicContact CE2-CG2 3.88Å; F139-I271 HydrophobicContact CG-CD1 3.96Å; F139-I271 HydrophobicContact CG-CG1 3.75Å; F139-I271 HydrophobicContact CG-CG2 4.32Å; F139-I271 HydrophobicContact CZ-CG1 4.41Å; M207-I271 HydrophobicContact CE-CB 4.26Å; M207-I271 HydrophobicContact CE-CG2 3.97Å; C220-I271 HydrophobicContact CB-CD1 4Å; L262-I271 HydrophobicContact CB-CD1 4.32Å; Q267-I271 PolarHBondContact O-N 3.34Å; Q267-I271 VanDerWaalsContact O-N 3.09Å; G268-I271 WeakPolarHBondContact O-CB 3.45Å; G268-I271 PolarHBondContact O-N 3.25Å; I271-M273 PolarHBondContact O-N 3.27Å; I271-K274 PolarHBondContact O-N 2.9Å; I271-G275 PolarHBondContact O-N 3.2Å
272	A	98.1	Very high	97.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-55.5	-51	175.9	0	0	0	0	0	111.8	Y161 M207 G268 F269 K274 G275 L276	Y161-A272 WeakPolarHBondContact OH-CB 3.43Å; M207-A272 HydrophobicContact CE-CB 3.88Å; M207-A272 HydrophobicContact CG-CB 4.41Å; M207-A272 HydrophobicContact SD-CB 4.24Å; G268-A272 WeakPolarHBondContact O-CB 3.22Å; G268-A272 PolarHBondContact O-N 3.07Å; F269-A272 WeakPolarHBondContact O-CB 3.44Å; F269-A272 PolarHBondContact O-N 3.44Å; A272-K274 PolarHBondContact O-N 3.33Å; A272-G275 PolarHBondContact O-N 2.93Å; A272-L276 WeakPolarHBondContact O-CG 3.02Å; A272-L276 PolarHBondContact O-N 3.25Å
273	M	96.1	Very high	97.8	Very high	56 Å²	56	33.4 Å²	33.4	28%	0.276	17%	0.17	S	C	.	.	H	α-helix	trans	-63.4	-38.9	-178.5	-68.6	-53.3	97.7	0	0	112.7	F269 N270 I271 L276 N277	F269-M273 HydrophobicContact CD1-CE 4.49Å; F269-M273 HydrophobicContact CD1-CG 3.9Å; F269-M273 HydrophobicContact CD2-CE 4.36Å; F269-M273 HydrophobicContact CE1-CE 3.96Å; F269-M273 HydrophobicContact CE1-CG 3.68Å; F269-M273 HydrophobicContact CE1-SD 3.86Å; F269-M273 HydrophobicContact CE2-CE 3.79Å; F269-M273 HydrophobicContact CZ-CE 3.58Å; F269-M273 HydrophobicContact CZ-CG 4.28Å; F269-M273 HydrophobicContact CZ-SD 3.92Å; F269-M273 WeakPolarHBondContact O-CG 3.24Å; F269-M273 PolarHBondContact O-N 3.48Å; N270-M273 PolarHBondContact O-N 3.31Å; I271-M273 PolarHBondContact O-N 3.27Å; M273-L276 HydrophobicContact CE-CD1 3.4Å; M273-L276 HydrophobicContact CE-CG 4.46Å; M273-L276 PolarHBondContact O-N 3.48Å; M273-L276 HydrophobicContact SD-CD1 4.1Å; M273-N277 PolarHBondContact O-N 3.49Å
274	K	96.7	Very high	97.9	Very high	118 Å²	118	32.5 Å²	32.5	51%	0.513	16%	0.161	S	C	.	.	H	α-helix	trans	-65.7	-38.9	174.9	-71	-177.6	171.1	-173.1	0	111.7	W134 F139 N270 I271 A272 N277	W134-K274 HydrophobicContact CH2-CB 3.83Å; F139-K274 HydrophobicContact CE1-CD 4.06Å; F139-K274 HydrophobicContact CZ-CB 4.3Å; F139-K274 HydrophobicContact CZ-CD 3.6Å; N270-K274 WeakPolarHBondContact O-CG 3.37Å; N270-K274 PolarHBondContact O-N 3.25Å; I271-K274 PolarHBondContact O-N 2.9Å; A272-K274 PolarHBondContact O-N 3.33Å; K274-N277 PolarHBondContact O-N 3.19Å
275	G	96.6	Very high	97.9	Very high	2 Å²	2	27 Å²	27	2%	0.021	14%	0.135	C	C	.	.	H	α-helix	trans	-60.9	-46.1	173.1	0	0	0	0	0	112.9	I271 A272 N277 G278 G279	I271-G275 PolarHBondContact O-N 3.2Å; A272-G275 PolarHBondContact O-N 2.93Å; G275-N277 VanDerWaalsContact C-N 3.25Å; G275-N277 PolarHBondContact O-N 3.26Å; G275-G278 PolarHBondContact O-N 3.45Å; G275-G278 VanDerWaalsContact O-N 3.12Å; G275-G279 PolarHBondContact O-N 2.9Å
276	L	95.8	Very high	97.9	Very high	18 Å²	18	22.8 Å²	22.8	9%	0.094	12%	0.115	C	C	.	.	H	α-helix	trans	-61.3	-29	179.5	-68.9	179.1	0	0	0	113.2	A272 M273 G279 R280 E401	A272-L276 WeakPolarHBondContact O-CG 3.02Å; A272-L276 PolarHBondContact O-N 3.25Å; M273-L276 HydrophobicContact CE-CD1 3.4Å; M273-L276 HydrophobicContact CE-CG 4.46Å; M273-L276 PolarHBondContact O-N 3.48Å; M273-L276 HydrophobicContact SD-CD1 4.1Å; L276-G279 PolarHBondContact O-N 2.73Å; L276-R280 VanDerWaalsContact O-CB 3.29Å; L276-R280 WeakPolarHBondContact O-CB 3.5Å; L276-R280 WeakPolarHBondContact O-CD 3.32Å; L276-R280 WeakPolarHBondContact O-CG 3.26Å; L276-R280 PolarHBondContact O-N 3.01Å; L276-E401 WeakPolarHBondContact CD2-OE2 3.41Å
277	N	95.8	Very high	97.9	Very high	20 Å²	20	22 Å²	22	11%	0.107	11%	0.107	C	C	.	.	H	α-helix	trans	-62.7	-44.9	175	-69.1	-28.3	0	0	0	111.5	M273 K274 G275 R280 L343	M273-N277 PolarHBondContact O-N 3.49Å; K274-N277 PolarHBondContact O-N 3.19Å; G275-N277 VanDerWaalsContact C-N 3.25Å; G275-N277 PolarHBondContact O-N 3.26Å; N277-R280 PolarHBondContact OD1-NH1 2.92Å; N277-R280 VanDerWaalsContact OD1-NH1 3.14Å; N277-L343 HydrophobicContact CB-CD1 4.2Å; N277-L343 HydrophobicContact CB-CD2 4.29Å
278	G	96.9	Very high	98	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.01	9%	0.089	C	C	.	.	H	α-helix	trans	-68.6	-42.4	173	0	0	0	0	0	112.5	G275 R280 I281 N282	G275-G278 PolarHBondContact O-N 3.45Å; G275-G278 VanDerWaalsContact O-N 3.12Å; G278-R280 VanDerWaalsContact C-N 3.32Å; G278-R280 PolarHBondContact O-N 3.39Å; G278-I281 PolarHBondContact O-N 3.43Å; G278-N282 PolarHBondContact O-N 2.9Å; G278-N282 PolarHBondContact O-ND2 2.82Å; G278-N282 PolarHBondContact O-OD1 2.89Å
279	G	98	Very high	98	Very high	4 Å²	4	18.1 Å²	18.1	4%	0.041	9%	0.089	C	C	.	.	H	α-helix	trans	-58.1	-40.5	177.5	0	0	0	0	0	113.2	G275 L276 I281 N282 I283 E401	G275-G279 PolarHBondContact O-N 2.9Å; L276-G279 PolarHBondContact O-N 2.73Å; G279-I281 PolarHBondContact O-N 3.12Å; G279-N282 PolarHBondContact O-N 3.42Å; G279-I283 WeakPolarHBondContact O-CB 3.43Å; G279-I283 WeakPolarHBondContact O-CG2 3.28Å; G279-I283 PolarHBondContact O-N 2.95Å; G279-E401 WeakPolarHBondContact CA-OE2 3.36Å
280	R	98.8	Very high	98	Very high	12 Å²	12	16.6 Å²	16.6	5%	0.045	8%	0.083	C	C	.	.	H	α-helix	trans	-59.3	-43.8	174.4	-78.8	165.5	-168.9	161.7	1.6	113.3	L276 N277 G278 I283 A284 C354 K358 E401 M407	L276-R280 VanDerWaalsContact O-CB 3.29Å; L276-R280 WeakPolarHBondContact O-CB 3.5Å; L276-R280 WeakPolarHBondContact O-CD 3.32Å; L276-R280 WeakPolarHBondContact O-CG 3.26Å; L276-R280 PolarHBondContact O-N 3.01Å; N277-R280 PolarHBondContact OD1-NH1 2.92Å; N277-R280 VanDerWaalsContact OD1-NH1 3.14Å; G278-R280 VanDerWaalsContact C-N 3.32Å; G278-R280 PolarHBondContact O-N 3.39Å; R280-I283 WeakPolarHBondContact O-CG2 3.38Å; R280-A284 VanDerWaalsContact O-CB 3.31Å; R280-A284 WeakPolarHBondContact O-CB 3.39Å; R280-A284 PolarHBondContact O-N 2.63Å; R280-C354 HydrophobicContact CB-CB 4.46Å; R280-K358 HydrophobicContact CB-CB 3.85Å; R280-K358 HydrophobicContact CB-CG 4.11Å; R280-K358 HydrophobicContact CG-CB 4.06Å; R280-K358 HydrophobicContact CG-CG 4.06Å; R280-E401 HydrophobicContact CG-CB 4.2Å; R280-E401 PolarHBondContact NE-O 2.69Å; R280-M407 HydrophobicContact CG-SD 4.34Å
281	I	98.9	Very high	98.1	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.005	6%	0.056	C	C	.	.	H	α-helix	trans	-64.8	-50.7	174.5	-69.6	156.8	0	0	0	109.2	G278 G279 I283 A284 S285 V336 A339 A340 L343 C354	G278-I281 PolarHBondContact O-N 3.43Å; G279-I281 PolarHBondContact O-N 3.12Å; I281-I283 PolarHBondContact O-N 3.46Å; I281-A284 CarbonylContact O-C 3.43Å; I281-A284 WeakPolarHBondContact O-CA 3.06Å; I281-A284 WeakPolarHBondContact O-CB 3.4Å; I281-A284 PolarHBondContact O-N 2.93Å; I281-A284 VanDerWaalsContact O-N 3.13Å; I281-S285 PolarHBondContact O-N 2.95Å; I281-S285 PolarHBondContact O-OG 3.23Å; I281-V336 HydrophobicContact CG2-CG2 4.05Å; I281-A339 HydrophobicContact CG1-CB 4.19Å; I281-A340 HydrophobicContact CD1-CB 4.44Å; I281-A340 HydrophobicContact CG2-CB 3.96Å; I281-L343 HydrophobicContact CD1-CB 3.97Å; I281-L343 HydrophobicContact CD1-CD2 3.5Å; I281-L343 HydrophobicContact CD1-CG 4.38Å; I281-C354 VanDerWaalsContact CD1-SG 3.52Å
282	N	98.8	Very high	98.1	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-63.7	-40.6	-173.6	-61.5	-18.8	0	0	0	113	F112 S127 G278 G279 A284 S285 C286	F112-N282 HydrophobicContact CD2-CB 3.76Å; F112-N282 HydrophobicContact CE2-CB 4Å; S127-N282 WeakPolarHBondContact OG-CB 3.35Å; S127-N282 PolarHBondContact OG-ND2 3.22Å; S127-N282 VanDerWaalsContact OG-ND2 3.12Å; G278-N282 PolarHBondContact O-N 2.9Å; G278-N282 PolarHBondContact O-ND2 2.82Å; G278-N282 PolarHBondContact O-OD1 2.89Å; G279-N282 PolarHBondContact O-N 3.42Å; N282-A284 VanDerWaalsContact C-N 3.32Å; N282-S285 WeakPolarHBondContact O-CB 3.34Å; N282-S285 PolarHBondContact O-N 3.48Å; N282-C286 PolarHBondContact O-N 3Å; N282-C286 PolarHBondContact O-SG 3.49Å
283	I	98.8	Very high	98.1	Very high	10 Å²	10	12.7 Å²	12.7	5%	0.051	6%	0.063	C	C	.	.	H	α-helix	trans	-70.1	-31.6	177.3	-156.6	171.8	0	0	0	111.7	W241 G279 R280 I281 C286 S287 K358 H397 L400 E401	W241-I283 HydrophobicContact CH2-CD1 4.32Å; W241-I283 HydrophobicContact CZ2-CD1 4.32Å; G279-I283 WeakPolarHBondContact O-CB 3.43Å; G279-I283 WeakPolarHBondContact O-CG2 3.28Å; G279-I283 PolarHBondContact O-N 2.95Å; R280-I283 WeakPolarHBondContact O-CG2 3.38Å; I281-I283 PolarHBondContact O-N 3.46Å; I283-C286 PolarHBondContact O-N 3.39Å; I283-S287 PolarHBondContact O-N 3.24Å; I283-S287 PolarHBondContact O-OG 3.11Å; I283-K358 HydrophobicContact CG2-CG 3.91Å; I283-H397 HydrophobicContact CD1-CB 3.99Å; I283-H397 HydrophobicContact CG1-CB 3.88Å; I283-H397 PolarHBondContact O-ND1 3.09Å; I283-L400 HydrophobicContact CD1-CB 3.84Å; I283-E401 HydrophobicContact CB-CG 4.25Å; I283-E401 HydrophobicContact CD1-CG 4.03Å; I283-E401 HydrophobicContact CG2-CB 4.1Å; I283-E401 HydrophobicContact CG2-CG 4.02Å
284	A	98.9	Very high	98.2	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-65.2	-44.2	169.8	0	0	0	0	0	110.8	R280 I281 N282 C286 S287 L288 V336 V361	R280-A284 VanDerWaalsContact O-CB 3.31Å; R280-A284 WeakPolarHBondContact O-CB 3.39Å; R280-A284 PolarHBondContact O-N 2.63Å; I281-A284 CarbonylContact O-C 3.43Å; I281-A284 WeakPolarHBondContact O-CA 3.06Å; I281-A284 WeakPolarHBondContact O-CB 3.4Å; I281-A284 PolarHBondContact O-N 2.93Å; I281-A284 VanDerWaalsContact O-N 3.13Å; N282-A284 VanDerWaalsContact C-N 3.32Å; A284-C286 VanDerWaalsContact C-N 3.31Å; A284-C286 PolarHBondContact O-N 2.89Å; A284-S287 WeakPolarHBondContact O-CB 3.16Å; A284-S287 PolarHBondContact O-N 2.83Å; A284-S287 VanDerWaalsContact O-N 3.11Å; A284-L288 PolarHBondContact O-N 3.33Å; A284-V336 HydrophobicContact CB-CG2 3.72Å; A284-V361 HydrophobicContact CB-CB 3.89Å; A284-V361 HydrophobicContact CB-CG1 3.83Å; A284-V361 HydrophobicContact CB-CG2 4.38Å; A284-V361 VanDerWaalsContact O-CG1 3.27Å; A284-V361 WeakPolarHBondContact O-CG1 3.46Å
285	S	98.9	Very high	98.3	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-60.9	-38.2	174.1	-49.9	0	0	0	0	112.2	S109 E113 I281 N282 S287 L288 G289	S109-S285 WeakPolarHBondContact CB-OG 3.5Å; S109-S285 WeakPolarHBondContact O-CB 3.47Å; S109-S285 PolarHBondContact OG-OG 3.23Å; E113-S285 WeakPolarHBondContact CA-O 3.32Å; I281-S285 PolarHBondContact O-N 2.95Å; I281-S285 PolarHBondContact O-OG 3.23Å; N282-S285 WeakPolarHBondContact O-CB 3.34Å; N282-S285 PolarHBondContact O-N 3.48Å; S285-S287 VanDerWaalsContact C-N 3.33Å; S285-S287 PolarHBondContact O-N 3.41Å; S285-L288 WeakPolarHBondContact O-CB 3.27Å; S285-L288 PolarHBondContact O-N 2.91Å; S285-G289 PolarHBondContact O-N 3.06Å
286	C	98.9	Very high	98.4	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-63.5	-40.6	174.3	-63.8	0	0	0	0	112.3	S116 V120 N282 I283 A284 L288 G289 A290	S116-C286 WeakPolarHBondContact CB-O 3.48Å; S116-C286 WeakPolarHBondContact OG-CA 3.45Å; S116-C286 WeakPolarHBondContact OG-CB 3.34Å; S116-C286 PolarHBondContact OG-SG 3.49Å; V120-C286 HydrophobicContact CG1-CB 4.49Å; N282-C286 PolarHBondContact O-N 3Å; N282-C286 PolarHBondContact O-SG 3.49Å; I283-C286 PolarHBondContact O-N 3.39Å; A284-C286 VanDerWaalsContact C-N 3.31Å; A284-C286 PolarHBondContact O-N 2.89Å; C286-L288 VanDerWaalsContact C-N 3.3Å; C286-L288 PolarHBondContact O-N 3.36Å; C286-G289 PolarHBondContact O-N 3.25Å; C286-A290 PolarHBondContact O-N 3.11Å
287	S	98.9	Very high	98.6	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-62.5	-40.3	174.3	-48.9	0	0	0	0	111.6	I283 A284 S285 A290 A291 C365 H397	I283-S287 PolarHBondContact O-N 3.24Å; I283-S287 PolarHBondContact O-OG 3.11Å; A284-S287 WeakPolarHBondContact O-CB 3.16Å; A284-S287 PolarHBondContact O-N 2.83Å; A284-S287 VanDerWaalsContact O-N 3.11Å; S285-S287 VanDerWaalsContact C-N 3.33Å; S285-S287 PolarHBondContact O-N 3.41Å; S287-A290 PolarHBondContact O-N 3.26Å; S287-A291 WeakPolarHBondContact O-CB 3.2Å; S287-A291 PolarHBondContact O-N 2.86Å; S287-C365 WeakPolarHBondContact O-CB 3.38Å; S287-H397 PolarHBondContact OG-ND1 3.49Å
288	L	98.9	Very high	98.7	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-63.7	-42.7	179.3	-174.9	69	0	0	0	112.2	E113 A284 S285 C286 A291 H292 L329 R333 V336	E113-L288 HydrophobicContact CG-CB 4.41Å; E113-L288 HydrophobicContact CG-CD2 3.92Å; E113-L288 HydrophobicContact CG-CG 4.06Å; E113-L288 VanDerWaalsContact OE1-CD2 3.29Å; E113-L288 WeakPolarHBondContact OE1-CD2 3.38Å; E113-L288 WeakPolarHBondContact OE1-CG 3.11Å; A284-L288 PolarHBondContact O-N 3.33Å; S285-L288 WeakPolarHBondContact O-CB 3.27Å; S285-L288 PolarHBondContact O-N 2.91Å; C286-L288 VanDerWaalsContact C-N 3.3Å; C286-L288 PolarHBondContact O-N 3.36Å; L288-A291 PolarHBondContact O-N 2.91Å; L288-H292 WeakPolarHBondContact O-CB 3.4Å; L288-H292 PolarHBondContact O-N 3.23Å; L288-L329 HydrophobicContact CD1-CD1 3.51Å; L288-L329 HydrophobicContact CD1-CG 4.47Å; L288-L329 HydrophobicContact CG-CD1 4.42Å; L288-R333 HydrophobicContact CD1-CB 3.97Å; L288-R333 HydrophobicContact CD2-CB 3.8Å; L288-R333 HydrophobicContact CD2-CG 3.89Å; L288-V336 HydrophobicContact CD2-CG1 3.84Å
289	G	98.9	Very high	98.8	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-60	-47	174.9	0	0	0	0	0	112.4	E113 T117 S285 C286 A291 H292 A293	E113-G289 WeakPolarHBondContact O-CA 3.07Å; T117-G289 WeakPolarHBondContact CG2-O 3.12Å; S285-G289 PolarHBondContact O-N 3.06Å; C286-G289 PolarHBondContact O-N 3.25Å; G289-A291 VanDerWaalsContact C-N 3.34Å; G289-A291 PolarHBondContact O-N 3.13Å; G289-H292 PolarHBondContact O-N 3.37Å; G289-A293 PolarHBondContact O-N 3.41Å
290	A	98.9	Very high	98.9	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-59.5	-44.1	176.7	0	0	0	0	0	112.4	V120 C286 S287 S294 F390 I394	V120-A290 HydrophobicContact CG2-CB 3.56Å; C286-A290 PolarHBondContact O-N 3.11Å; S287-A290 PolarHBondContact O-N 3.26Å; A290-S294 VanDerWaalsContact O-CB 3.24Å; A290-S294 WeakPolarHBondContact O-CB 3.31Å; A290-S294 PolarHBondContact O-N 3.37Å; A290-S294 PolarHBondContact O-OG 2.87Å; A290-F390 HydrophobicContact CB-CB 4.13Å; A290-F390 HydrophobicContact CB-CD1 3.81Å; A290-F390 HydrophobicContact CB-CG 4.15Å; A290-I394 HydrophobicContact CB-CD1 4.1Å; A290-I394 HydrophobicContact CB-CG2 3.45Å; A290-I394 VanDerWaalsContact CB-CG2 3.45Å
291	A	98.9	Very high	98.9	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-66	-41.9	177.6	0	0	0	0	0	112	S287 L288 G289 S294 V295 L329 C365 V368	S287-A291 WeakPolarHBondContact O-CB 3.2Å; S287-A291 PolarHBondContact O-N 2.86Å; L288-A291 PolarHBondContact O-N 2.91Å; G289-A291 VanDerWaalsContact C-N 3.34Å; G289-A291 PolarHBondContact O-N 3.13Å; A291-S294 PolarHBondContact O-N 3.03Å; A291-V295 WeakPolarHBondContact O-CG2 3.21Å; A291-V295 PolarHBondContact O-N 2.69Å; A291-L329 HydrophobicContact CB-CD1 3.86Å; A291-C365 HydrophobicContact CB-CB 3.69Å; A291-V368 HydrophobicContact CB-CB 4.11Å; A291-V368 HydrophobicContact CB-CG1 3.84Å
292	H	98.9	Very high	98.8	Very high	13 Å²	13	16.7 Å²	16.7	6%	0.06	8%	0.082	C	C	.	.	H	α-helix	trans	-60.9	-49.9	176	178	-108	0	0	0	111.4	L288 G289 S294 V295 L296 L329 R333	L288-H292 WeakPolarHBondContact O-CB 3.4Å; L288-H292 PolarHBondContact O-N 3.23Å; G289-H292 PolarHBondContact O-N 3.37Å; H292-S294 VanDerWaalsContact C-N 3.29Å; H292-S294 PolarHBondContact O-N 3.2Å; H292-V295 PolarHBondContact O-N 2.91Å; H292-L296 WeakPolarHBondContact O-CG 3.33Å; H292-L296 PolarHBondContact O-N 3.47Å; H292-L296 VanDerWaalsContact O-N 3.13Å; H292-L329 HydrophobicContact CB-CD1 4.09Å; H292-L329 HydrophobicContact CB-CD2 4.21Å; H292-R333 PolarHBondContact CD2-NH2 2.99Å
293	A	98.9	Very high	98.8	Very high	12 Å²	12	21.4 Å²	21.4	10%	0.099	11%	0.107	C	C	.	.	H	α-helix	trans	-58.7	-42.6	175.6	0	0	0	0	0	111.7	T117 G289 V295 L296 L297 F390	T117-A293 HydrophobicContact CG2-CB 4.32Å; G289-A293 PolarHBondContact O-N 3.41Å; A293-V295 PolarHBondContact O-N 3.41Å; A293-L296 PolarHBondContact O-N 2.96Å; A293-L297 VanDerWaalsContact O-CG 3.31Å; A293-L297 WeakPolarHBondContact O-CG 3.42Å; A293-L297 PolarHBondContact O-N 3.2Å; A293-F390 HydrophobicContact CB-CD2 4.5Å; A293-F390 HydrophobicContact CB-CE2 3.71Å; A293-F390 HydrophobicContact CB-CZ 3.74Å
294	S	98.9	Very high	98.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64.1	-38.4	178.6	-65.9	0	0	0	0	113.3	A290 A291 H292 A298 C369 A372	A290-S294 VanDerWaalsContact O-CB 3.24Å; A290-S294 WeakPolarHBondContact O-CB 3.31Å; A290-S294 PolarHBondContact O-N 3.37Å; A290-S294 PolarHBondContact O-OG 2.87Å; A291-S294 PolarHBondContact O-N 3.03Å; H292-S294 VanDerWaalsContact C-N 3.29Å; H292-S294 PolarHBondContact O-N 3.2Å; S294-A298 WeakPolarHBondContact O-CB 3.33Å; S294-A298 PolarHBondContact O-N 3.5Å; S294-C369 PolarHBondContact OG-SG 3.29Å; S294-A372 WeakPolarHBondContact O-CB 3.35Å
295	V	98.9	Very high	98.8	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.024	15%	0.154	C	C	.	.	H	α-helix	trans	-64	-44.2	174	169.6	0	0	0	0	111.2	I38 A291 H292 A293 A298 R299 L322 M325 L329 V368	I38-V295 HydrophobicContact CD1-CG1 3.72Å; A291-V295 WeakPolarHBondContact O-CG2 3.21Å; A291-V295 PolarHBondContact O-N 2.69Å; H292-V295 PolarHBondContact O-N 2.91Å; A293-V295 PolarHBondContact O-N 3.41Å; V295-A298 PolarHBondContact O-N 3.01Å; V295-R299 WeakPolarHBondContact O-CB 3.44Å; V295-R299 PolarHBondContact O-N 3.37Å; V295-L322 HydrophobicContact CG1-CD1 4.36Å; V295-M325 HydrophobicContact CG2-CB 4.04Å; V295-M325 HydrophobicContact CG2-CE 4Å; V295-L329 HydrophobicContact CB-CD2 4.35Å; V295-L329 HydrophobicContact CG2-CD2 4.09Å; V295-V368 HydrophobicContact CG2-CG1 3.58Å
296	L	98.8	Very high	98.8	Very high	48 Å²	48	37 Å²	37	25%	0.251	18%	0.182	S	C	.	.	H	α-helix	trans	-63.3	-48.6	178.3	-65.1	179.3	0	0	0	111.5	I38 H292 A293 A298 R299 D300	I38-L296 HydrophobicContact CD1-CD2 4.04Å; H292-L296 WeakPolarHBondContact O-CG 3.33Å; H292-L296 PolarHBondContact O-N 3.47Å; H292-L296 VanDerWaalsContact O-N 3.13Å; A293-L296 PolarHBondContact O-N 2.96Å; L296-A298 VanDerWaalsContact C-N 3.35Å; L296-A298 PolarHBondContact O-N 3.18Å; L296-R299 PolarHBondContact O-N 2.87Å; L296-D300 WeakPolarHBondContact O-CB 3.48Å; L296-D300 VanDerWaalsContact O-CG 3.22Å; L296-D300 PolarHBondContact O-N 3.44Å
297	L	98.8	Very high	98.7	Very high	67 Å²	67	41.9 Å²	41.9	35%	0.351	20%	0.204	S	C	.	.	H	α-helix	trans	-59.5	-44.7	177.1	-70.4	171.9	0	0	0	111.8	A293 D300 H301 A386 F390	A293-L297 VanDerWaalsContact O-CG 3.31Å; A293-L297 WeakPolarHBondContact O-CG 3.42Å; A293-L297 PolarHBondContact O-N 3.2Å; L297-D300 PolarHBondContact O-N 2.93Å; L297-H301 VanDerWaalsContact O-CB 3.29Å; L297-H301 WeakPolarHBondContact O-CB 3.37Å; L297-H301 PolarHBondContact O-N 3.35Å; L297-A386 HydrophobicContact CD1-CB 4.14Å; L297-F390 HydrophobicContact CD1-CE2 4.08Å
298	A	98.8	Very high	98.7	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63.3	-47.9	178.1	0	0	0	0	0	111.7	S294 V295 L296 D300 H301 L302 M325 A372 M375	S294-A298 WeakPolarHBondContact O-CB 3.33Å; S294-A298 PolarHBondContact O-N 3.5Å; V295-A298 PolarHBondContact O-N 3.01Å; L296-A298 VanDerWaalsContact C-N 3.35Å; L296-A298 PolarHBondContact O-N 3.18Å; A298-D300 VanDerWaalsContact C-N 3.33Å; A298-D300 PolarHBondContact O-N 2.81Å; A298-H301 PolarHBondContact O-N 3.36Å; A298-L302 WeakPolarHBondContact O-CB 3.39Å; A298-L302 VanDerWaalsContact O-CG 3.23Å; A298-L302 WeakPolarHBondContact O-CG 3.44Å; A298-L302 PolarHBondContact O-N 3.45Å; A298-M325 HydrophobicContact CB-CE 4.08Å; A298-A372 HydrophobicContact CB-CB 4.04Å; A298-M375 HydrophobicContact CB-CB 4.36Å; A298-M375 HydrophobicContact CB-SD 3.78Å
299	R	98.8	Very high	98.6	Very high	90 Å²	90	55.5 Å²	55.5	34%	0.34	29%	0.287	S	S	.	.	H	α-helix	trans	-54.8	-50.4	175.7	179.7	-161.2	67.9	-160.7	-5	110.9	V295 L296 L302 L303 L322	V295-R299 WeakPolarHBondContact O-CB 3.44Å; V295-R299 PolarHBondContact O-N 3.37Å; L296-R299 PolarHBondContact O-N 2.87Å; R299-L302 PolarHBondContact O-N 2.84Å; R299-L303 HydrophobicContact CG-CD1 4.12Å; R299-L303 WeakPolarHBondContact O-CG 3.4Å; R299-L303 PolarHBondContact O-N 3.34Å; R299-L303 VanDerWaalsContact O-N 3.09Å; R299-L322 HydrophobicContact CB-CD1 4.33Å; R299-L322 HydrophobicContact CB-CD2 4.17Å; R299-L322 HydrophobicContact CG-CD2 4.23Å
300	D	98.7	Very high	98.5	Very high	73 Å²	73	62 Å²	62	39%	0.39	32%	0.315	S	S	.	.	H	α-helix	trans	-67.5	-40.2	-175.5	-65.9	-9.5	0	0	0	111.2	L296 L297 A298 L302 L303 V304	L296-D300 WeakPolarHBondContact O-CB 3.48Å; L296-D300 VanDerWaalsContact O-CG 3.22Å; L296-D300 PolarHBondContact O-N 3.44Å; L297-D300 PolarHBondContact O-N 2.93Å; A298-D300 VanDerWaalsContact C-N 3.33Å; A298-D300 PolarHBondContact O-N 2.81Å; D300-L302 PolarHBondContact O-N 3.2Å; D300-L303 PolarHBondContact O-N 3.49Å; D300-V304 WeakPolarHBondContact O-CG2 3.42Å; D300-V304 PolarHBondContact O-N 2.86Å
301	H	98.7	Very high	98.5	Very high	29 Å²	29	63.5 Å²	63.5	13%	0.134	32%	0.324	C	S	.	.	H	α-helix	trans	-59.8	-44.4	172.4	179.7	-105.8	0	0	0	112	L297 A298 L303 V304 R305 M375 H376	L297-H301 VanDerWaalsContact O-CB 3.29Å; L297-H301 WeakPolarHBondContact O-CB 3.37Å; L297-H301 PolarHBondContact O-N 3.35Å; A298-H301 PolarHBondContact O-N 3.36Å; H301-L303 VanDerWaalsContact C-N 3.29Å; H301-L303 PolarHBondContact O-N 2.94Å; H301-V304 PolarHBondContact O-N 3.21Å; H301-R305 VanDerWaalsContact O-CB 3.23Å; H301-R305 WeakPolarHBondContact O-CB 3.47Å; H301-R305 PolarHBondContact O-N 3.08Å; H301-M375 PolarHBondContact CE1-O 3.07Å; H301-M375 PolarHBondContact ND1-O 3.13Å; H301-H376 AromaticContact CG-CD2 3.8Å; H301-H376 AromaticContact CG-NE2 3.99Å
302	L	98.7	Very high	98.5	Very high	4 Å²	4	64.9 Å²	64.9	2%	0.021	33%	0.331	C	S	.	.	H	α-helix	trans	-63.8	-34.1	179.5	-70	178.3	0	0	0	112.8	A298 R299 D300 L312 A313 L318 L322 M375	A298-L302 WeakPolarHBondContact O-CB 3.39Å; A298-L302 VanDerWaalsContact O-CG 3.23Å; A298-L302 WeakPolarHBondContact O-CG 3.44Å; A298-L302 PolarHBondContact O-N 3.45Å; R299-L302 PolarHBondContact O-N 2.84Å; D300-L302 PolarHBondContact O-N 3.2Å; L302-L312 HydrophobicContact CB-CB 4.39Å; L302-L312 HydrophobicContact CD2-CB 3.44Å; L302-L312 VanDerWaalsContact CD2-CB 3.44Å; L302-L312 HydrophobicContact CD2-CD1 4.02Å; L302-L312 HydrophobicContact CD2-CG 4.39Å; L302-L312 PolarHBondContact O-N 3.03Å; L302-A313 HydrophobicContact CB-CB 4.17Å; L302-A313 WeakPolarHBondContact O-CB 3.47Å; L302-A313 PolarHBondContact O-N 2.83Å; L302-L318 HydrophobicContact CD1-CB 4.37Å; L302-L318 HydrophobicContact CD2-CB 4.15Å; L302-L318 HydrophobicContact CD2-CD1 3.73Å; L302-L318 HydrophobicContact CD2-CG 4.4Å; L302-L322 HydrophobicContact CD1-CB 4.5Å; L302-L322 HydrophobicContact CD1-CD2 4.28Å; L302-M375 HydrophobicContact CD1-CE 4.13Å; L302-M375 HydrophobicContact CD1-SD 3.83Å; L302-M375 HydrophobicContact CG-SD 4.42Å
303	L	98.6	Very high	98.5	Very high	100 Å²	100	65.3 Å²	65.3	52%	0.524	34%	0.337	S	S	.	.	H	α-helix	trans	-73.8	-28.5	178.9	-70.3	171.5	0	0	0	112.8	R299 D300 H301 T311 A313	R299-L303 HydrophobicContact CG-CD1 4.12Å; R299-L303 WeakPolarHBondContact O-CG 3.4Å; R299-L303 PolarHBondContact O-N 3.34Å; R299-L303 VanDerWaalsContact O-N 3.09Å; D300-L303 PolarHBondContact O-N 3.49Å; H301-L303 VanDerWaalsContact C-N 3.29Å; H301-L303 PolarHBondContact O-N 2.94Å; L303-T311 WeakPolarHBondContact O-CG2 3.43Å; L303-A313 HydrophobicContact CD2-CB 3.99Å
304	V	98.4	Very high	98.4	Very high	117 Å²	117	69.4 Å²	69.4	71%	0.709	36%	0.357	S	S	*	.	H	α-helix	trans	-97.5	-45.8	-176.4	175.7	0	0	0	0	112.4	D300 H301	D300-V304 WeakPolarHBondContact O-CG2 3.42Å; D300-V304 PolarHBondContact O-N 2.86Å; H301-V304 PolarHBondContact O-N 3.21Å
305	R	98.3	Very high	98.4	Very high	85 Å²	85	73.2 Å²	73.2	32%	0.321	38%	0.378	S	S	.	.			trans	-70.8	134.9	-172.8	-175.4	62.1	-179.8	-136.3	3.7	111	H301 T311 L312 Y379	H301-R305 VanDerWaalsContact O-CB 3.23Å; H301-R305 WeakPolarHBondContact O-CB 3.47Å; H301-R305 PolarHBondContact O-N 3.08Å; R305-T311 CarbonylContact O-C 3.53Å; R305-T311 VanDerWaalsContact O-CA 3.27Å; R305-T311 WeakPolarHBondContact O-CA 3.39Å; R305-L312 HydrophobicContact CB-CD1 3.85Å; R305-L312 HydrophobicContact CB-CG 4.12Å; R305-L312 HydrophobicContact CG-CD1 3.73Å; R305-L312 HydrophobicContact CG-CG 4.09Å; R305-L312 PolarHBondContact O-N 2.69Å; R305-Y379 PolarHBondContact NH1-OH 3.4Å
306	K	98.5	Very high	98.4	Very high	136 Å²	136	79 Å²	79	59%	0.591	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.2	138.2	178.3	-64.6	179.2	-178.4	178.7	0	112.4	K310 T311	K306-K310 CarbonylContact C-O 3.56Å; K306-K310 WeakPolarHBondContact CA-O 3.3Å; K306-K310 WeakPolarHBondContact CB-O 3.44Å; K306-T311 HydrophobicContact CG-CG2 4.05Å
307	Q	98.1	Very high	98.4	Very high	102 Å²	102	83.1 Å²	83.1	48%	0.477	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	153.6	167.6	-77.5	-61.2	-75.8	0	0	108.7	G309 K310 L312	Q307-G309 PolarHBondContact O-N 3.28Å; Q307-G309 VanDerWaalsContact O-N 3.1Å; Q307-K310 PolarHBondContact N-O 3.47Å; Q307-K310 PolarHBondContact O-N 2.83Å; Q307-K310 VanDerWaalsContact O-N 3.1Å; Q307-L312 HydrophobicContact CB-CD2 3.9Å; Q307-L312 HydrophobicContact CG-CD2 4.13Å
308	F	97.5	Very high	98.4	Very high	206 Å²	206	81.5 Å²	81.5	90%	0.904	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	38.1	-178.4	-50.4	-77.2	0	0	0	112.8	K310	F308-K310 VanDerWaalsContact C-N 3.29Å; F308-K310 PolarHBondContact O-N 3.19Å
309	G	97.4	Very high	98.4	Very high	80 Å²	80	85.9 Å²	85.9	83%	0.825	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	-1.9	177.6	0	0	0	0	0	116.8	Q307	Q307-G309 PolarHBondContact O-N 3.28Å; Q307-G309 VanDerWaalsContact O-N 3.1Å
310	K	97.8	Very high	98.4	Very high	135 Å²	135	87.2 Å²	87.2	59%	0.587	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.5	166	-178.9	-62.3	-177.3	-178	179	0	111.5	K306 Q307 F308 N314	K306-K310 CarbonylContact C-O 3.56Å; K306-K310 WeakPolarHBondContact CA-O 3.3Å; K306-K310 WeakPolarHBondContact CB-O 3.44Å; Q307-K310 PolarHBondContact N-O 3.47Å; Q307-K310 PolarHBondContact O-N 2.83Å; Q307-K310 VanDerWaalsContact O-N 3.1Å; F308-K310 VanDerWaalsContact C-N 3.29Å; F308-K310 PolarHBondContact O-N 3.19Å; K310-N314 HydrophobicContact CB-CB 4.01Å; K310-N314 HydrophobicContact CD-CB 4.13Å
311	T	98.5	Very high	98.4	Very high	32 Å²	32	85.6 Å²	85.6	20%	0.196	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	150.6	169.9	61.6	0	0	0	0	109.8	L303 R305 K306 A313 N314	L303-T311 WeakPolarHBondContact O-CG2 3.43Å; R305-T311 CarbonylContact O-C 3.53Å; R305-T311 VanDerWaalsContact O-CA 3.27Å; R305-T311 WeakPolarHBondContact O-CA 3.39Å; K306-T311 HydrophobicContact CG-CG2 4.05Å; T311-A313 PolarHBondContact O-N 3.5Å; T311-N314 WeakPolarHBondContact O-CB 3.24Å; T311-N314 PolarHBondContact O-N 3.32Å; T311-N314 PolarHBondContact OG1-ND2 3.37Å
312	L	98.6	Very high	98.4	Very high	29 Å²	29	86.2 Å²	86.2	15%	0.152	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-59.7	-28.9	177.4	-64.4	-176.8	0	0	0	111.8	L302 R305 Q307 N314 N315 L318	L302-L312 HydrophobicContact CB-CB 4.39Å; L302-L312 HydrophobicContact CD2-CB 3.44Å; L302-L312 VanDerWaalsContact CD2-CB 3.44Å; L302-L312 HydrophobicContact CD2-CD1 4.02Å; L302-L312 HydrophobicContact CD2-CG 4.39Å; L302-L312 PolarHBondContact O-N 3.03Å; R305-L312 HydrophobicContact CB-CD1 3.85Å; R305-L312 HydrophobicContact CB-CG 4.12Å; R305-L312 HydrophobicContact CG-CD1 3.73Å; R305-L312 HydrophobicContact CG-CG 4.09Å; R305-L312 PolarHBondContact O-N 2.69Å; Q307-L312 HydrophobicContact CB-CD2 3.9Å; Q307-L312 HydrophobicContact CG-CD2 4.13Å; L312-N314 PolarHBondContact O-N 3.44Å; L312-N315 WeakPolarHBondContact O-CB 3.3Å; L312-N315 PolarHBondContact O-N 3.19Å; L312-L318 HydrophobicContact CB-CD1 3.81Å; L312-L318 HydrophobicContact CD2-CD1 4.34Å; L312-L318 HydrophobicContact CG-CD1 4.48Å
313	A	98.3	Very high	98.4	Very high	22 Å²	22	88.6 Å²	88.6	18%	0.182	46%	0.455	C	S	.	.	G	3₁₀ helix	trans	-60.1	-12.3	172.4	0	0	0	0	0	114.6	L302 L303 T311 Q319	L302-A313 HydrophobicContact CB-CB 4.17Å; L302-A313 WeakPolarHBondContact O-CB 3.47Å; L302-A313 PolarHBondContact O-N 2.83Å; L303-A313 HydrophobicContact CD2-CB 3.99Å; T311-A313 PolarHBondContact O-N 3.5Å; A313-Q319 WeakPolarHBondContact O-CG 3.46Å; A313-Q319 PolarHBondContact O-NE2 2.99Å
314	N	98.3	Very high	98.4	Very high	99 Å²	99	87.8 Å²	87.8	53%	0.529	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-86.5	-5.6	172.4	-78.4	-91.3	0	0	0	113.6	K310 T311 L312	K310-N314 HydrophobicContact CB-CB 4.01Å; K310-N314 HydrophobicContact CD-CB 4.13Å; T311-N314 WeakPolarHBondContact O-CB 3.24Å; T311-N314 PolarHBondContact O-N 3.32Å; T311-N314 PolarHBondContact OG1-ND2 3.37Å; L312-N314 PolarHBondContact O-N 3.44Å
315	N	98.4	Very high	98.4	Very high	80 Å²	80	82.4 Å²	82.4	43%	0.428	42%	0.415	S	S	.	.			trans	-85.5	118.4	175.4	-176.8	-60.7	0	0	0	109.8	L312 F317 L318 Q319	L312-N315 WeakPolarHBondContact O-CB 3.3Å; L312-N315 PolarHBondContact O-N 3.19Å; N315-F317 VanDerWaalsContact C-N 3.29Å; N315-F317 PolarHBondContact O-N 3.38Å; N315-F317 VanDerWaalsContact OD1-CB 3.32Å; N315-F317 WeakPolarHBondContact OD1-CB 3.29Å; N315-F317 PolarHBondContact OD1-N 3.2Å; N315-L318 HydrophobicContact CB-CB 4.26Å; N315-L318 HydrophobicContact CB-CD1 3.96Å; N315-L318 HydrophobicContact CB-CG 4.05Å; N315-L318 PolarHBondContact O-N 3.06Å; N315-L318 VanDerWaalsContact O-N 3.09Å; N315-L318 PolarHBondContact OD1-N 3.06Å; N315-Q319 PolarHBondContact O-N 2.86Å
316	Q	98.6	Very high	98.5	Very high	126 Å²	126	79.2 Å²	79.2	59%	0.589	41%	0.407	S	S	*	.	H	α-helix	trans	-59.6	-37	-176	-172.4	176.5	49.2	0	0	113.1	L318 Q319 F320	Q316-L318 VanDerWaalsContact C-N 3.33Å; Q316-L318 PolarHBondContact O-N 2.78Å; Q316-Q319 WeakPolarHBondContact O-CB 3.47Å; Q316-Q319 PolarHBondContact O-N 3.47Å; Q316-F320 HydrophobicContact CG-CD1 4.24Å; Q316-F320 HydrophobicContact CG-CE1 3.78Å; Q316-F320 HydrophobicContact CG-CE2 4.18Å; Q316-F320 HydrophobicContact CG-CZ 3.75Å; Q316-F320 WeakPolarHBondContact O-CG 3.29Å; Q316-F320 PolarHBondContact O-N 2.69Å
317	F	98.6	Very high	98.5	Very high	134 Å²	134	77.4 Å²	77.4	59%	0.588	41%	0.408	S	S	*	.	H	α-helix	trans	-64	-40.1	177.3	-179	-102.2	0	0	0	111.6	N315 F320 K321	N315-F317 VanDerWaalsContact C-N 3.29Å; N315-F317 PolarHBondContact O-N 3.38Å; N315-F317 VanDerWaalsContact OD1-CB 3.32Å; N315-F317 WeakPolarHBondContact OD1-CB 3.29Å; N315-F317 PolarHBondContact OD1-N 3.2Å; F317-F320 PolarHBondContact O-N 3.22Å; F317-K321 HydrophobicContact CD1-CG 4.4Å; F317-K321 HydrophobicContact CE1-CG 4.01Å; F317-K321 HydrophobicContact CE2-CG 4.49Å; F317-K321 HydrophobicContact CZ-CD 4.41Å; F317-K321 HydrophobicContact CZ-CG 4.07Å; F317-K321 WeakPolarHBondContact O-CG 3.32Å; F317-K321 PolarHBondContact O-N 3.01Å
318	L	98.7	Very high	98.5	Very high	32 Å²	32	75.7 Å²	75.7	17%	0.168	40%	0.399	C	S	.	.	H	α-helix	trans	-68.5	-35.5	176	-61.6	179.7	0	0	0	112	L302 L312 N315 Q316 K321 L322 M375	L302-L318 HydrophobicContact CD1-CB 4.37Å; L302-L318 HydrophobicContact CD2-CB 4.15Å; L302-L318 HydrophobicContact CD2-CD1 3.73Å; L302-L318 HydrophobicContact CD2-CG 4.4Å; L312-L318 HydrophobicContact CB-CD1 3.81Å; L312-L318 HydrophobicContact CD2-CD1 4.34Å; L312-L318 HydrophobicContact CG-CD1 4.48Å; N315-L318 HydrophobicContact CB-CB 4.26Å; N315-L318 HydrophobicContact CB-CD1 3.96Å; N315-L318 HydrophobicContact CB-CG 4.05Å; N315-L318 PolarHBondContact O-N 3.06Å; N315-L318 VanDerWaalsContact O-N 3.09Å; N315-L318 PolarHBondContact OD1-N 3.06Å; Q316-L318 VanDerWaalsContact C-N 3.33Å; Q316-L318 PolarHBondContact O-N 2.78Å; L318-K321 PolarHBondContact O-N 2.95Å; L318-L322 WeakPolarHBondContact O-CB 3.31Å; L318-L322 PolarHBondContact O-N 3.28Å; L318-M375 HydrophobicContact CD2-CG 4.5Å; L318-M375 WeakPolarHBondContact O-CE 3.23Å
319	Q	98.8	Very high	98.6	Very high	93 Å²	93	65.9 Å²	65.9	44%	0.435	36%	0.356	S	S	.	.	H	α-helix	trans	-62.6	-45.7	172.3	-65.9	174.1	-5.3	0	0	111.7	A313 N315 Q316 K321 L322 A323	A313-Q319 WeakPolarHBondContact O-CG 3.46Å; A313-Q319 PolarHBondContact O-NE2 2.99Å; N315-Q319 PolarHBondContact O-N 2.86Å; Q316-Q319 WeakPolarHBondContact O-CB 3.47Å; Q316-Q319 PolarHBondContact O-N 3.47Å; Q319-K321 VanDerWaalsContact C-N 3.35Å; Q319-K321 PolarHBondContact O-N 3.2Å; Q319-L322 PolarHBondContact O-N 2.91Å; Q319-A323 PolarHBondContact O-N 2.81Å
320	F	98.8	Very high	98.6	Very high	117 Å²	117	64.3 Å²	64.3	51%	0.513	33%	0.33	S	S	.	.	H	α-helix	trans	-61.9	-43	177.4	-73.3	1.8	0	0	0	111.4	Q316 F317 L322 A323 E324	Q316-F320 HydrophobicContact CG-CD1 4.24Å; Q316-F320 HydrophobicContact CG-CE1 3.78Å; Q316-F320 HydrophobicContact CG-CE2 4.18Å; Q316-F320 HydrophobicContact CG-CZ 3.75Å; Q316-F320 WeakPolarHBondContact O-CG 3.29Å; Q316-F320 PolarHBondContact O-N 2.69Å; F317-F320 PolarHBondContact O-N 3.22Å; F320-L322 VanDerWaalsContact C-N 3.35Å; F320-L322 PolarHBondContact O-N 3.22Å; F320-A323 WeakPolarHBondContact O-CB 3.36Å; F320-A323 PolarHBondContact O-N 3.45Å; F320-E324 WeakPolarHBondContact O-CG 3.34Å; F320-E324 PolarHBondContact O-N 3.32Å
321	K	98.8	Very high	98.7	Very high	40 Å²	40	59.7 Å²	59.7	17%	0.174	32%	0.317	C	S	.	.	H	α-helix	trans	-63.4	-39.1	175.3	-69.8	-61.6	172.4	-146.8	0	113	F317 L318 Q319 A323 E324 M325 M375	F317-K321 HydrophobicContact CD1-CG 4.4Å; F317-K321 HydrophobicContact CE1-CG 4.01Å; F317-K321 HydrophobicContact CE2-CG 4.49Å; F317-K321 HydrophobicContact CZ-CD 4.41Å; F317-K321 HydrophobicContact CZ-CG 4.07Å; F317-K321 WeakPolarHBondContact O-CG 3.32Å; F317-K321 PolarHBondContact O-N 3.01Å; L318-K321 PolarHBondContact O-N 2.95Å; Q319-K321 VanDerWaalsContact C-N 3.35Å; Q319-K321 PolarHBondContact O-N 3.2Å; K321-A323 VanDerWaalsContact C-N 3.32Å; K321-A323 PolarHBondContact O-N 3.11Å; K321-E324 WeakPolarHBondContact CD-OE2 3.48Å; K321-E324 IonicContact NZ-OE1 2.77Å; K321-E324 PolarHBondContact NZ-OE1 3.48Å; K321-E324 IonicContact NZ-OE2 3.15Å; K321-E324 PolarHBondContact NZ-OE2 3.01Å; K321-E324 PolarHBondContact O-N 3.27Å; K321-M325 WeakPolarHBondContact O-CG 3.24Å; K321-M325 PolarHBondContact O-N 3.1Å; K321-M375 HydrophobicContact CB-CE 3.42Å; K321-M375 VanDerWaalsContact CB-CE 3.42Å
322	L	98.7	Very high	98.7	Very high	41 Å²	41	58.1 Å²	58.1	22%	0.215	31%	0.308	C	S	.	.	H	α-helix	trans	-66.3	-37.6	175.6	-171.9	65.1	0	0	0	111.6	V295 R299 L302 L318 Q319 F320 M325 A326 M375	V295-L322 HydrophobicContact CG1-CD1 4.36Å; R299-L322 HydrophobicContact CB-CD1 4.33Å; R299-L322 HydrophobicContact CB-CD2 4.17Å; R299-L322 HydrophobicContact CG-CD2 4.23Å; L302-L322 HydrophobicContact CD1-CB 4.5Å; L302-L322 HydrophobicContact CD1-CD2 4.28Å; L318-L322 WeakPolarHBondContact O-CB 3.31Å; L318-L322 PolarHBondContact O-N 3.28Å; Q319-L322 PolarHBondContact O-N 2.91Å; F320-L322 VanDerWaalsContact C-N 3.35Å; F320-L322 PolarHBondContact O-N 3.22Å; L322-M325 PolarHBondContact O-N 3.46Å; L322-A326 WeakPolarHBondContact O-CB 3.33Å; L322-A326 PolarHBondContact O-N 2.84Å; L322-M375 HydrophobicContact CB-CE 4.16Å
323	A	98.8	Very high	98.7	Very high	54 Å²	54	57.4 Å²	57.4	45%	0.446	30%	0.303	S	S	.	.	H	α-helix	trans	-63.5	-47.7	174.8	0	0	0	0	0	111.8	Q319 F320 K321 M325 A326 T327	Q319-A323 PolarHBondContact O-N 2.81Å; F320-A323 WeakPolarHBondContact O-CB 3.36Å; F320-A323 PolarHBondContact O-N 3.45Å; K321-A323 VanDerWaalsContact C-N 3.32Å; K321-A323 PolarHBondContact O-N 3.11Å; A323-M325 VanDerWaalsContact C-N 3.31Å; A323-M325 PolarHBondContact O-N 3.3Å; A323-A326 PolarHBondContact O-N 3.46Å; A323-T327 PolarHBondContact O-N 3.26Å; A323-T327 PolarHBondContact O-OG1 3.25Å
324	E	98.8	Very high	98.7	Very high	83 Å²	83	61.6 Å²	61.6	39%	0.388	32%	0.322	S	S	.	.	H	α-helix	trans	-56.4	-44.8	174.4	-71.3	171.4	-153.9	0	0	111.5	F320 K321 T327 K328	F320-E324 WeakPolarHBondContact O-CG 3.34Å; F320-E324 PolarHBondContact O-N 3.32Å; K321-E324 WeakPolarHBondContact CD-OE2 3.48Å; K321-E324 IonicContact NZ-OE1 2.77Å; K321-E324 PolarHBondContact NZ-OE1 3.48Å; K321-E324 IonicContact NZ-OE2 3.15Å; K321-E324 PolarHBondContact NZ-OE2 3.01Å; K321-E324 PolarHBondContact O-N 3.27Å; E324-T327 PolarHBondContact O-N 3.14Å; E324-K328 WeakPolarHBondContact O-CB 3.21Å; E324-K328 VanDerWaalsContact O-CG 3.29Å; E324-K328 WeakPolarHBondContact O-CG 3.22Å; E324-K328 PolarHBondContact O-N 3Å
325	M	98.9	Very high	98.8	Very high	4 Å²	4	58.9 Å²	58.9	2%	0.02	31%	0.307	C	S	.	.	H	α-helix	trans	-61.9	-45.3	178.4	-71	164.2	62.1	0	0	111.9	V295 A298 K321 L322 A323 K328 L329 V368 Q371 A372 M375	V295-M325 HydrophobicContact CG2-CB 4.04Å; V295-M325 HydrophobicContact CG2-CE 4Å; A298-M325 HydrophobicContact CB-CE 4.08Å; K321-M325 WeakPolarHBondContact O-CG 3.24Å; K321-M325 PolarHBondContact O-N 3.1Å; L322-M325 PolarHBondContact O-N 3.46Å; A323-M325 VanDerWaalsContact C-N 3.31Å; A323-M325 PolarHBondContact O-N 3.3Å; M325-K328 PolarHBondContact O-N 3.27Å; M325-L329 VanDerWaalsContact O-CB 3.31Å; M325-L329 WeakPolarHBondContact O-CB 3.46Å; M325-L329 PolarHBondContact O-N 2.93Å; M325-V368 HydrophobicContact CB-CG1 4.25Å; M325-V368 HydrophobicContact CB-CG2 4.25Å; M325-V368 HydrophobicContact CE-CG1 4.05Å; M325-V368 HydrophobicContact CG-CG1 4.36Å; M325-V368 HydrophobicContact CG-CG2 4.36Å; M325-Q371 HydrophobicContact CG-CB 4.21Å; M325-Q371 HydrophobicContact SD-CB 3.79Å; M325-A372 HydrophobicContact CE-CB 3.85Å; M325-M375 HydrophobicContact CE-SD 4.46Å; M325-M375 HydrophobicContact SD-CE 3.93Å; M325-M375 HydrophobicContact SD-SD 3.91Å
326	A	98.8	Very high	98.8	Very high	18 Å²	18	55.1 Å²	55.1	15%	0.149	29%	0.287	C	S	.	.	H	α-helix	trans	-62.7	-44	177.7	0	0	0	0	0	112.1	I38 L322 A323 L329 V330	I38-A326 HydrophobicContact CG2-CB 3.7Å; L322-A326 WeakPolarHBondContact O-CB 3.33Å; L322-A326 PolarHBondContact O-N 2.84Å; A323-A326 PolarHBondContact O-N 3.46Å; A326-L329 PolarHBondContact O-N 3.29Å; A326-V330 WeakPolarHBondContact O-CG2 3.36Å; A326-V330 PolarHBondContact O-N 3.38Å
327	T	98.9	Very high	98.8	Very high	98 Å²	98	50.3 Å²	50.3	60%	0.601	26%	0.263	S	S	*	.	H	α-helix	trans	-61.8	-47	177.5	-61	0	0	0	0	111.8	A323 E324 L329 V330 A331	A323-T327 PolarHBondContact O-N 3.26Å; A323-T327 PolarHBondContact O-OG1 3.25Å; E324-T327 PolarHBondContact O-N 3.14Å; T327-L329 VanDerWaalsContact C-N 3.32Å; T327-L329 PolarHBondContact O-N 2.93Å; T327-V330 PolarHBondContact O-N 2.96Å; T327-A331 WeakPolarHBondContact O-CB 3.19Å; T327-A331 PolarHBondContact O-N 3.28Å
328	K	98.8	Very high	98.8	Very high	66 Å²	66	47.7 Å²	47.7	29%	0.287	25%	0.253	S	S	.	.	H	α-helix	trans	-62.3	-39.6	177.9	-74	170.7	173.4	-137.1	0	112.2	E324 M325 S332 E364 V368	E324-K328 WeakPolarHBondContact O-CB 3.21Å; E324-K328 VanDerWaalsContact O-CG 3.29Å; E324-K328 WeakPolarHBondContact O-CG 3.22Å; E324-K328 PolarHBondContact O-N 3Å; M325-K328 PolarHBondContact O-N 3.27Å; K328-S332 VanDerWaalsContact O-CB 3.27Å; K328-S332 WeakPolarHBondContact O-CB 3.37Å; K328-S332 PolarHBondContact O-N 2.9Å; K328-S332 PolarHBondContact O-OG 2.79Å; K328-E364 HydrophobicContact CB-CB 4.39Å; K328-E364 WeakPolarHBondContact CD-OE2 3.35Å; K328-E364 WeakPolarHBondContact CE-OE2 3.36Å; K328-E364 IonicContact NZ-OE2 3.43Å; K328-E364 PolarHBondContact NZ-OE2 3.26Å; K328-V368 HydrophobicContact CB-CG2 4.07Å
329	L	98.9	Very high	98.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.9	-48.3	176.1	177.5	68.7	0	0	0	111.6	I38 L288 A291 H292 V295 M325 A326 T327 S332 R333	I38-L329 HydrophobicContact CB-CD2 4.24Å; I38-L329 HydrophobicContact CD1-CD2 4.44Å; I38-L329 HydrophobicContact CG2-CD2 4.33Å; L288-L329 HydrophobicContact CD1-CD1 3.51Å; L288-L329 HydrophobicContact CD1-CG 4.47Å; L288-L329 HydrophobicContact CG-CD1 4.42Å; A291-L329 HydrophobicContact CB-CD1 3.86Å; H292-L329 HydrophobicContact CB-CD1 4.09Å; H292-L329 HydrophobicContact CB-CD2 4.21Å; V295-L329 HydrophobicContact CB-CD2 4.35Å; V295-L329 HydrophobicContact CG2-CD2 4.09Å; M325-L329 VanDerWaalsContact O-CB 3.31Å; M325-L329 WeakPolarHBondContact O-CB 3.46Å; M325-L329 PolarHBondContact O-N 2.93Å; A326-L329 PolarHBondContact O-N 3.29Å; T327-L329 VanDerWaalsContact C-N 3.32Å; T327-L329 PolarHBondContact O-N 2.93Å; L329-S332 WeakPolarHBondContact O-CB 3.31Å; L329-S332 PolarHBondContact O-N 2.99Å; L329-R333 PolarHBondContact O-N 3.01Å
330	V	98.8	Very high	98.8	Very high	47 Å²	47	41.7 Å²	41.7	29%	0.285	22%	0.224	S	C	.	.	H	α-helix	trans	-64.5	-45.6	179.2	173.1	0	0	0	0	111.1	C37 I38 A326 T327 S332 R333 L334	C37-V330 WeakPolarHBondContact O-CG2 3.39Å; I38-V330 HydrophobicContact CG2-CG2 4.09Å; A326-V330 WeakPolarHBondContact O-CG2 3.36Å; A326-V330 PolarHBondContact O-N 3.38Å; T327-V330 PolarHBondContact O-N 2.96Å; V330-S332 VanDerWaalsContact C-N 3.29Å; V330-S332 PolarHBondContact O-N 3.42Å; V330-R333 PolarHBondContact O-N 3.21Å; V330-L334 HydrophobicContact CG1-CD1 4.2Å; V330-L334 WeakPolarHBondContact O-CG 3.39Å; V330-L334 PolarHBondContact O-N 3.35Å
331	A	98.9	Very high	98.8	Very high	38 Å²	38	37.6 Å²	37.6	31%	0.314	21%	0.208	S	C	.	.	H	α-helix	trans	-58.3	-42.6	175.7	0	0	0	0	0	111.9	T327 R333 L334 L335 F360	T327-A331 WeakPolarHBondContact O-CB 3.19Å; T327-A331 PolarHBondContact O-N 3.28Å; A331-R333 PolarHBondContact O-N 3.47Å; A331-L334 PolarHBondContact O-N 3.43Å; A331-L335 PolarHBondContact O-N 2.85Å; A331-L335 VanDerWaalsContact O-N 3.1Å; A331-F360 HydrophobicContact CB-CE1 4.02Å; A331-F360 HydrophobicContact CB-CZ 4.1Å
332	S	98.9	Very high	98.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.8	-43.3	176.5	-64.1	0	0	0	0	112.1	K328 L329 V330 L335 V336 V361	K328-S332 VanDerWaalsContact O-CB 3.27Å; K328-S332 WeakPolarHBondContact O-CB 3.37Å; K328-S332 PolarHBondContact O-N 2.9Å; K328-S332 PolarHBondContact O-OG 2.79Å; L329-S332 WeakPolarHBondContact O-CB 3.31Å; L329-S332 PolarHBondContact O-N 2.99Å; V330-S332 VanDerWaalsContact C-N 3.29Å; V330-S332 PolarHBondContact O-N 3.42Å; S332-L335 PolarHBondContact O-N 3.34Å; S332-V336 PolarHBondContact O-N 3.37Å; S332-V361 WeakPolarHBondContact O-CG2 3.19Å
333	R	98.8	Very high	98.8	Very high	13 Å²	13	35.1 Å²	35.1	5%	0.049	20%	0.197	C	C	.	.	H	α-helix	trans	-63.1	-44.3	178.2	-176.1	171.4	-66.1	131.5	1.5	112.5	I38 E113 L288 H292 L329 V330 A331 V336 R337	I38-R333 PolarHBondContact O-NH1 3.47Å; E113-R333 IonicContact OE1-CZ 3.45Å; E113-R333 IonicContact OE1-NE 3.22Å; E113-R333 PolarHBondContact OE1-NE 2.91Å; E113-R333 IonicContact OE1-NH2 3.36Å; E113-R333 PolarHBondContact OE1-NH2 2.97Å; E113-R333 IonicContact OE2-NE 3.47Å; L288-R333 HydrophobicContact CD1-CB 3.97Å; L288-R333 HydrophobicContact CD2-CB 3.8Å; L288-R333 HydrophobicContact CD2-CG 3.89Å; H292-R333 PolarHBondContact CD2-NH2 2.99Å; L329-R333 PolarHBondContact O-N 3.01Å; V330-R333 PolarHBondContact O-N 3.21Å; A331-R333 PolarHBondContact O-N 3.47Å; R333-V336 WeakPolarHBondContact O-CG1 3.39Å; R333-R337 WeakPolarHBondContact O-CB 3.37Å; R333-R337 VanDerWaalsContact O-CG 3.29Å; R333-R337 WeakPolarHBondContact O-CG 3.39Å; R333-R337 PolarHBondContact O-N 2.86Å; R333-R337 VanDerWaalsContact O-N 3.15Å
334	L	98.8	Very high	98.7	Very high	111 Å²	111	36 Å²	36	58%	0.581	19%	0.192	S	C	*	.	H	α-helix	trans	-61	-47.5	177.8	-68	172.4	0	0	0	110.8	V330 A331 R337 E338	V330-L334 HydrophobicContact CG1-CD1 4.2Å; V330-L334 WeakPolarHBondContact O-CG 3.39Å; V330-L334 PolarHBondContact O-N 3.35Å; A331-L334 PolarHBondContact O-N 3.43Å; L334-R337 PolarHBondContact O-N 3.31Å; L334-E338 WeakPolarHBondContact O-CB 3.43Å; L334-E338 PolarHBondContact O-N 2.73Å
335	L	98.8	Very high	98.7	Very high	42 Å²	42	37.5 Å²	37.5	22%	0.22	20%	0.199	C	C	.	.	H	α-helix	trans	-66.6	-41.6	-176.9	-174.9	60.8	0	0	0	113	A331 S332 E338 A339 A357 F360	A331-L335 PolarHBondContact O-N 2.85Å; A331-L335 VanDerWaalsContact O-N 3.1Å; S332-L335 PolarHBondContact O-N 3.34Å; L335-E338 PolarHBondContact O-N 2.98Å; L335-A339 WeakPolarHBondContact O-CB 3.25Å; L335-A339 PolarHBondContact O-N 2.9Å; L335-A357 HydrophobicContact CD2-CB 4.49Å; L335-A357 HydrophobicContact CG-CB 3.99Å; L335-F360 HydrophobicContact CD2-CB 3.63Å; L335-F360 HydrophobicContact CD2-CD1 3.77Å; L335-F360 HydrophobicContact CD2-CG 3.86Å
336	V	98.8	Very high	98.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-68.6	-35.3	178.4	75.2	0	0	0	0	112.2	I281 A284 L288 S332 R333 A340 V361	I281-V336 HydrophobicContact CG2-CG2 4.05Å; A284-V336 HydrophobicContact CB-CG2 3.72Å; L288-V336 HydrophobicContact CD2-CG1 3.84Å; S332-V336 PolarHBondContact O-N 3.37Å; R333-V336 WeakPolarHBondContact O-CG1 3.39Å; V336-A340 WeakPolarHBondContact O-CB 3.23Å; V336-A340 PolarHBondContact O-N 2.99Å; V336-V361 HydrophobicContact CB-CG2 4.27Å
337	R	98.8	Very high	98.6	Very high	26 Å²	26	47.1 Å²	47.1	10%	0.098	24%	0.242	C	C	.	.	H	α-helix	trans	-70.9	-40.4	176.7	-70.8	-176.7	-177.6	-178.7	1.5	111.5	P40 Y42 L44 L106 E113 R333 L334 A340 T341	P40-R337 PolarHBondContact O-NH1 2.71Å; P40-R337 PolarHBondContact O-NH2 3.02Å; Y42-R337 PolarHBondContact O-NH1 3.16Å; L44-R337 VanDerWaalsContact CD2-NH1 3.28Å; L106-R337 HydrophobicContact CD1-CB 3.81Å; L106-R337 HydrophobicContact CD1-CG 3.68Å; E113-R337 IonicContact OE2-CZ 2.78Å; E113-R337 IonicContact OE2-NH2 3.07Å; E113-R337 PolarHBondContact OE2-NH2 3.36Å; R333-R337 WeakPolarHBondContact O-CB 3.37Å; R333-R337 VanDerWaalsContact O-CG 3.29Å; R333-R337 WeakPolarHBondContact O-CG 3.39Å; R333-R337 PolarHBondContact O-N 2.86Å; R333-R337 VanDerWaalsContact O-N 3.15Å; L334-R337 PolarHBondContact O-N 3.31Å; R337-A340 WeakPolarHBondContact O-CB 3.33Å; R337-A340 PolarHBondContact O-N 3.38Å; R337-T341 PolarHBondContact O-N 3.16Å; R337-T341 PolarHBondContact O-OG1 3.42Å; R337-T341 VanDerWaalsContact O-OG1 3.09Å
338	E	98.7	Very high	98.4	Very high	78 Å²	78	47.8 Å²	47.8	36%	0.364	26%	0.258	S	S	.	.	H	α-helix	trans	-60.8	-44.9	173.6	178.3	58.1	-161.5	0	0	111.7	L334 L335 A340 T341 A342 R347 L353	L334-E338 WeakPolarHBondContact O-CB 3.43Å; L334-E338 PolarHBondContact O-N 2.73Å; L335-E338 PolarHBondContact O-N 2.98Å; E338-A340 VanDerWaalsContact C-N 3.31Å; E338-A340 PolarHBondContact O-N 3.42Å; E338-T341 PolarHBondContact O-N 2.75Å; E338-A342 WeakPolarHBondContact O-CB 3.48Å; E338-A342 PolarHBondContact O-N 2.74Å; E338-R347 IonicContact OE1-CZ 2.7Å; E338-R347 IonicContact OE1-NH1 2.69Å; E338-R347 PolarHBondContact OE1-NH1 2.91Å; E338-R347 IonicContact OE1-NH2 3.34Å; E338-R347 PolarHBondContact OE1-NH2 3.42Å; E338-R347 VanDerWaalsContact OE1-NH2 3.1Å; E338-L353 HydrophobicContact CG-CD1 4.31Å
339	A	98.8	Very high	98.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.4	-38.3	175.6	0	0	0	0	0	112.5	I281 L335 L343 L353 A357	I281-A339 HydrophobicContact CG1-CB 4.19Å; L335-A339 WeakPolarHBondContact O-CB 3.25Å; L335-A339 PolarHBondContact O-N 2.9Å; A339-L343 WeakPolarHBondContact O-CB 3.37Å; A339-L343 PolarHBondContact O-N 3.49Å; A339-L353 HydrophobicContact CB-CB 4.07Å; A339-A357 HydrophobicContact CB-CB 3.69Å
340	A	98.8	Very high	98.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-64.2	-47.5	175.7	0	0	0	0	0	112.1	R105 L106 I281 V336 R337 E338 L343 Q344	R105-A340 HydrophobicContact CB-CB 4.25Å; R105-A340 WeakPolarHBondContact CB-O 3.49Å; L106-A340 HydrophobicContact CB-CB 4.43Å; I281-A340 HydrophobicContact CD1-CB 4.44Å; I281-A340 HydrophobicContact CG2-CB 3.96Å; V336-A340 WeakPolarHBondContact O-CB 3.23Å; V336-A340 PolarHBondContact O-N 2.99Å; R337-A340 WeakPolarHBondContact O-CB 3.33Å; R337-A340 PolarHBondContact O-N 3.38Å; E338-A340 VanDerWaalsContact C-N 3.31Å; E338-A340 PolarHBondContact O-N 3.42Å; A340-L343 PolarHBondContact O-N 3.01Å; A340-Q344 PolarHBondContact O-N 3.22Å; A340-Q344 VanDerWaalsContact O-N 3.08Å
341	T	98.7	Very high	98	Very high	30 Å²	30	48.5 Å²	48.5	18%	0.184	27%	0.266	C	S	.	.	H	α-helix	trans	-59.1	-48.1	174.8	-59.6	0	0	0	0	111.2	R337 E338 L343 Q344 E345	R337-T341 PolarHBondContact O-N 3.16Å; R337-T341 PolarHBondContact O-OG1 3.42Å; R337-T341 VanDerWaalsContact O-OG1 3.09Å; E338-T341 PolarHBondContact O-N 2.75Å; T341-L343 VanDerWaalsContact C-N 3.28Å; T341-L343 PolarHBondContact O-N 3.32Å; T341-Q344 WeakPolarHBondContact O-CG 3.44Å; T341-Q344 PolarHBondContact O-N 3.41Å; T341-E345 HydrophobicContact CG2-CG 4.38Å; T341-E345 WeakPolarHBondContact CG2-OE1 3.29Å; T341-E345 WeakPolarHBondContact O-CB 3.32Å; T341-E345 WeakPolarHBondContact O-CG 3.21Å; T341-E345 PolarHBondContact O-N 2.92Å
342	A	98.7	Very high	97.9	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-59.9	-39.1	178.7	0	0	0	0	0	112.6	E338 N346 R347 A350 L353	E338-A342 WeakPolarHBondContact O-CB 3.48Å; E338-A342 PolarHBondContact O-N 2.74Å; A342-N346 PolarHBondContact O-N 3.04Å; A342-R347 HydrophobicContact CB-CB 4.3Å; A342-R347 PolarHBondContact O-N 3.37Å; A342-A350 HydrophobicContact CB-CB 4.09Å; A342-A350 WeakPolarHBondContact O-CB 3.43Å; A342-L353 HydrophobicContact CB-CD1 3.54Å
343	L	98.4	Very high	97.9	Very high	29 Å²	29	48.7 Å²	48.7	15%	0.152	26%	0.262	C	S	.	.	H	α-helix	trans	-68.6	-42.9	178.4	-174.5	63.1	0	0	0	112.6	R105 N277 I281 A339 A340 T341 E345 N346 A350	R105-L343 HydrophobicContact CG-CB 4.45Å; R105-L343 HydrophobicContact CG-CD2 4.14Å; R105-L343 HydrophobicContact CG-CG 4.28Å; N277-L343 HydrophobicContact CB-CD1 4.2Å; N277-L343 HydrophobicContact CB-CD2 4.29Å; I281-L343 HydrophobicContact CD1-CB 3.97Å; I281-L343 HydrophobicContact CD1-CD2 3.5Å; I281-L343 HydrophobicContact CD1-CG 4.38Å; A339-L343 WeakPolarHBondContact O-CB 3.37Å; A339-L343 PolarHBondContact O-N 3.49Å; A340-L343 PolarHBondContact O-N 3.01Å; T341-L343 VanDerWaalsContact C-N 3.28Å; T341-L343 PolarHBondContact O-N 3.32Å; L343-E345 VanDerWaalsContact C-N 3.33Å; L343-N346 PolarHBondContact O-N 3.02Å; L343-A350 HydrophobicContact CB-CB 4.47Å; L343-A350 HydrophobicContact CD1-CB 4.39Å
344	Q	97.8	Very high	97.9	Very high	74 Å²	74	48 Å²	48	35%	0.346	26%	0.26	S	S	.	.	H	α-helix	trans	-70.7	-29.6	178.6	64.2	-177.1	54.9	0	0	113.1	S104 R105 A340 T341 N346	S104-Q344 VanDerWaalsContact CB-OE1 3.3Å; S104-Q344 PolarHBondContact OG-OE1 3.14Å; R105-Q344 HydrophobicContact CB-CB 4.09Å; R105-Q344 HydrophobicContact CG-CB 4.08Å; A340-Q344 PolarHBondContact O-N 3.22Å; A340-Q344 VanDerWaalsContact O-N 3.08Å; T341-Q344 WeakPolarHBondContact O-CG 3.44Å; T341-Q344 PolarHBondContact O-N 3.41Å; Q344-N346 PolarHBondContact O-N 3.01Å
345	E	98.3	Very high	97.9	Very high	114 Å²	114	42.8 Å²	42.8	53%	0.533	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-0.8	175.2	-68.9	176.9	171	0	0	112.9	T341 L343 R347	T341-E345 HydrophobicContact CG2-CG 4.38Å; T341-E345 WeakPolarHBondContact CG2-OE1 3.29Å; T341-E345 WeakPolarHBondContact O-CB 3.32Å; T341-E345 WeakPolarHBondContact O-CG 3.21Å; T341-E345 PolarHBondContact O-N 2.92Å; L343-E345 VanDerWaalsContact C-N 3.33Å; E345-R347 HydrophobicContact CB-CG 3.95Å; E345-R347 PolarHBondContact O-N 3.08Å; E345-R347 VanDerWaalsContact OE2-CD 3.27Å; E345-R347 WeakPolarHBondContact OE2-CD 3.4Å
346	N	97.2	Very high	97.9	Very high	144 Å²	144	44.2 Å²	44.2	77%	0.77	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	37.2	-175	-58.9	-71.6	0	0	0	113.1	A342 L343 Q344	A342-N346 PolarHBondContact O-N 3.04Å; L343-N346 PolarHBondContact O-N 3.02Å; Q344-N346 PolarHBondContact O-N 3.01Å
347	R	97.9	Very high	97.9	Very high	80 Å²	80	44.2 Å²	44.2	30%	0.302	24%	0.239	S	C	.	.			trans	-66	148.4	178.6	-71.3	174.5	32.3	-172	1.1	111.2	E338 A342 E345 D349 A350	E338-R347 IonicContact OE1-CZ 2.7Å; E338-R347 IonicContact OE1-NH1 2.69Å; E338-R347 PolarHBondContact OE1-NH1 2.91Å; E338-R347 IonicContact OE1-NH2 3.34Å; E338-R347 PolarHBondContact OE1-NH2 3.42Å; E338-R347 VanDerWaalsContact OE1-NH2 3.1Å; A342-R347 HydrophobicContact CB-CB 4.3Å; A342-R347 PolarHBondContact O-N 3.37Å; E345-R347 HydrophobicContact CB-CG 3.95Å; E345-R347 PolarHBondContact O-N 3.08Å; E345-R347 VanDerWaalsContact OE2-CD 3.27Å; E345-R347 WeakPolarHBondContact OE2-CD 3.4Å; R347-D349 WeakPolarHBondContact CB-OD1 3.42Å; R347-D349 IonicContact CZ-OD1 3.98Å; R347-D349 IonicContact CZ-OD2 2.78Å; R347-D349 IonicContact NE-OD1 3.01Å; R347-D349 PolarHBondContact NE-OD1 3.3Å; R347-D349 IonicContact NE-OD2 3.73Å; R347-D349 IonicContact NH2-OD1 3.1Å; R347-D349 PolarHBondContact NH2-OD1 3.26Å; R347-D349 IonicContact NH2-OD2 2.7Å; R347-D349 PolarHBondContact NH2-OD2 3.03Å; R347-D349 PolarHBondContact O-N 3.28Å; R347-A350 WeakPolarHBondContact O-CB 3.44Å; R347-A350 PolarHBondContact O-N 3.3Å; R347-A350 VanDerWaalsContact O-N 3.13Å
348	A	95.3	Very high	97.9	Very high	112 Å²	112	43 Å²	43	93%	0.926	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-29.4	-178.8	0	0	0	0	0	113.3
349	D	96.1	Very high	97.9	Very high	63 Å²	63	40.5 Å²	40.5	34%	0.337	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-2.7	179.6	63.4	-19.5	0	0	0	113.8	R347 V351 S352 L353	R347-D349 WeakPolarHBondContact CB-OD1 3.42Å; R347-D349 IonicContact CZ-OD1 3.98Å; R347-D349 IonicContact CZ-OD2 2.78Å; R347-D349 IonicContact NE-OD1 3.01Å; R347-D349 PolarHBondContact NE-OD1 3.3Å; R347-D349 IonicContact NE-OD2 3.73Å; R347-D349 IonicContact NH2-OD1 3.1Å; R347-D349 PolarHBondContact NH2-OD1 3.26Å; R347-D349 IonicContact NH2-OD2 2.7Å; R347-D349 PolarHBondContact NH2-OD2 3.03Å; R347-D349 PolarHBondContact O-N 3.28Å; D349-V351 VanDerWaalsContact C-N 3.3Å; D349-V351 PolarHBondContact O-N 3.26Å; D349-S352 WeakPolarHBondContact O-CB 3.29Å; D349-S352 PolarHBondContact O-N 2.73Å; D349-S352 VanDerWaalsContact O-N 3.08Å; D349-L353 HydrophobicContact CB-CD1 4.49Å; D349-L353 PolarHBondContact O-N 3.13Å; D349-L353 WeakPolarHBondContact OD2-CD1 3.44Å
350	A	97.3	Very high	97.9	Very high	4 Å²	4	44.1 Å²	44.1	3%	0.033	24%	0.239	C	C	.	.	H	α-helix	trans	-56.5	-40.5	-173.5	0	0	0	0	0	113.3	A342 L343 R347 S352 L353 C354	A342-A350 HydrophobicContact CB-CB 4.09Å; A342-A350 WeakPolarHBondContact O-CB 3.43Å; L343-A350 HydrophobicContact CB-CB 4.47Å; L343-A350 HydrophobicContact CD1-CB 4.39Å; R347-A350 WeakPolarHBondContact O-CB 3.44Å; R347-A350 PolarHBondContact O-N 3.3Å; R347-A350 VanDerWaalsContact O-N 3.13Å; A350-S352 PolarHBondContact O-N 3Å; A350-L353 PolarHBondContact O-N 3.29Å; A350-C354 WeakPolarHBondContact O-CB 3.27Å; A350-C354 PolarHBondContact O-N 3.03Å; A350-C354 PolarHBondContact O-SG 3.26Å
351	V	94.9	Very high	97.9	Very high	61 Å²	61	44.1 Å²	44.1	37%	0.37	24%	0.239	S	C	.	.	H	α-helix	trans	-65.2	-40.8	179.9	179.8	0	0	0	0	111.5	D349 S355	D349-V351 VanDerWaalsContact C-N 3.3Å; D349-V351 PolarHBondContact O-N 3.26Å; V351-S355 PolarHBondContact O-N 3.09Å; V351-S355 PolarHBondContact O-OG 2.88Å
352	S	96.9	Very high	97.9	Very high	17 Å²	17	42.7 Å²	42.7	12%	0.119	23%	0.23	C	C	.	.	H	α-helix	trans	-64.3	-48.3	174.9	-64.6	0	0	0	0	110.2	D349 A350 C354 S355 M356 N414	D349-S352 WeakPolarHBondContact O-CB 3.29Å; D349-S352 PolarHBondContact O-N 2.73Å; D349-S352 VanDerWaalsContact O-N 3.08Å; A350-S352 PolarHBondContact O-N 3Å; S352-C354 PolarHBondContact O-N 3.43Å; S352-S355 PolarHBondContact O-N 3.32Å; S352-S355 VanDerWaalsContact O-N 3.13Å; S352-M356 WeakPolarHBondContact O-CG 3.41Å; S352-M356 PolarHBondContact O-N 3.24Å; S352-N414 PolarHBondContact OG-ND2 3.37Å
353	L	98.4	Very high	97.9	Very high	24 Å²	24	44.2 Å²	44.2	13%	0.126	24%	0.239	C	C	.	.	H	α-helix	trans	-62.1	-41.3	179	-71.5	173.4	0	0	0	112.7	E338 A339 A342 D349 A350 S355 M356 A357	E338-L353 HydrophobicContact CG-CD1 4.31Å; A339-L353 HydrophobicContact CB-CB 4.07Å; A342-L353 HydrophobicContact CB-CD1 3.54Å; D349-L353 HydrophobicContact CB-CD1 4.49Å; D349-L353 PolarHBondContact O-N 3.13Å; D349-L353 WeakPolarHBondContact OD2-CD1 3.44Å; A350-L353 PolarHBondContact O-N 3.29Å; L353-S355 VanDerWaalsContact C-N 3.28Å; L353-S355 PolarHBondContact O-N 2.79Å; L353-M356 HydrophobicContact CD2-SD 4.5Å; L353-M356 PolarHBondContact O-N 3.46Å; L353-A357 WeakPolarHBondContact O-CB 3.47Å; L353-A357 PolarHBondContact O-N 2.89Å
354	C	98.6	Very high	98	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-58.5	-41.3	174.2	-68.5	0	0	0	0	111.7	R280 I281 A350 S352 K358	R280-C354 HydrophobicContact CB-CB 4.46Å; I281-C354 VanDerWaalsContact CD1-SG 3.52Å; A350-C354 WeakPolarHBondContact O-CB 3.27Å; A350-C354 PolarHBondContact O-N 3.03Å; A350-C354 PolarHBondContact O-SG 3.26Å; S352-C354 PolarHBondContact O-N 3.43Å; C354-K358 WeakPolarHBondContact O-CB 3.43Å; C354-K358 PolarHBondContact O-N 3.48Å
355	S	98.5	Very high	98	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-72.2	-42.2	180	-53.4	0	0	0	0	111.7	V351 S352 L353 K358 L359	V351-S355 PolarHBondContact O-N 3.09Å; V351-S355 PolarHBondContact O-OG 2.88Å; S352-S355 PolarHBondContact O-N 3.32Å; S352-S355 VanDerWaalsContact O-N 3.13Å; L353-S355 VanDerWaalsContact C-N 3.28Å; L353-S355 PolarHBondContact O-N 2.79Å; S355-K358 PolarHBondContact O-N 2.87Å; S355-L359 VanDerWaalsContact O-CB 3.3Å; S355-L359 WeakPolarHBondContact O-CB 3.48Å; S355-L359 PolarHBondContact O-N 3.25Å
356	M	98.8	Very high	98	Very high	72 Å²	72	37.5 Å²	37.5	36%	0.355	21%	0.206	S	C	.	.	H	α-helix	trans	-62.3	-45.9	174.9	-70.8	175.7	-179.3	0	0	111.4	S352 L353 L359 F360 I411	S352-M356 WeakPolarHBondContact O-CG 3.41Å; S352-M356 PolarHBondContact O-N 3.24Å; L353-M356 HydrophobicContact CD2-SD 4.5Å; L353-M356 PolarHBondContact O-N 3.46Å; M356-L359 PolarHBondContact O-N 3.1Å; M356-F360 WeakPolarHBondContact O-CB 3.41Å; M356-F360 PolarHBondContact O-N 3.1Å; M356-I411 HydrophobicContact CB-CD1 4.34Å; M356-I411 HydrophobicContact CE-CG2 3.76Å; M356-I411 HydrophobicContact CG-CD1 3.74Å; M356-I411 HydrophobicContact CG-CG1 3.86Å; M356-I411 HydrophobicContact CG-CG2 4.3Å
357	A	98.8	Very high	98.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59.6	-52.5	176.2	0	0	0	0	0	111	L335 A339 L353 L359 F360 V361	L335-A357 HydrophobicContact CD2-CB 4.49Å; L335-A357 HydrophobicContact CG-CB 3.99Å; A339-A357 HydrophobicContact CB-CB 3.69Å; L353-A357 WeakPolarHBondContact O-CB 3.47Å; L353-A357 PolarHBondContact O-N 2.89Å; A357-L359 VanDerWaalsContact C-N 3.34Å; A357-L359 PolarHBondContact O-N 3.49Å; A357-F360 PolarHBondContact O-N 2.95Å; A357-V361 WeakPolarHBondContact O-CB 3.48Å; A357-V361 WeakPolarHBondContact O-CG2 3.45Å; A357-V361 PolarHBondContact O-N 2.97Å
358	K	98.9	Very high	98.2	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59	-45.4	179.4	-169.6	-90.9	173.3	-176.3	0	112	R280 I283 C354 S355 T362 H397 Q398 L400 G402 N404 M407	R280-K358 HydrophobicContact CB-CB 3.85Å; R280-K358 HydrophobicContact CB-CG 4.11Å; R280-K358 HydrophobicContact CG-CB 4.06Å; R280-K358 HydrophobicContact CG-CG 4.06Å; I283-K358 HydrophobicContact CG2-CG 3.91Å; C354-K358 WeakPolarHBondContact O-CB 3.43Å; C354-K358 PolarHBondContact O-N 3.48Å; S355-K358 PolarHBondContact O-N 2.87Å; K358-T362 HydrophobicContact CD-CG2 4.44Å; K358-T362 HydrophobicContact CG-CG2 4.32Å; K358-T362 VanDerWaalsContact O-CB 3.3Å; K358-T362 WeakPolarHBondContact O-CB 3.36Å; K358-T362 WeakPolarHBondContact O-CG2 3.4Å; K358-T362 PolarHBondContact O-N 2.89Å; K358-T362 PolarHBondContact O-OG1 3.37Å; K358-H397 WeakPolarHBondContact CE-O 3.29Å; K358-H397 PolarHBondContact NZ-O 2.94Å; K358-Q398 PolarHBondContact NZ-O 3.4Å; K358-L400 WeakPolarHBondContact CE-O 3.43Å; K358-L400 PolarHBondContact NZ-O 3.01Å; K358-G402 WeakPolarHBondContact CE-O 3.33Å; K358-G402 PolarHBondContact NZ-O 3.25Å; K358-N404 PolarHBondContact NZ-OD1 3.5Å; K358-M407 HydrophobicContact CB-SD 4.33Å; K358-M407 HydrophobicContact CD-CG 3.68Å; K358-M407 HydrophobicContact CD-SD 4.02Å
359	L	98.9	Very high	98.4	Very high	27 Å²	27	24.6 Å²	24.6	14%	0.141	13%	0.128	C	C	.	.	H	α-helix	trans	-57.5	-60.7	177.3	172.2	59.4	0	0	0	111.7	S355 M356 A357 T362 D363 N404 M407 R408 I411	S355-L359 VanDerWaalsContact O-CB 3.3Å; S355-L359 WeakPolarHBondContact O-CB 3.48Å; S355-L359 PolarHBondContact O-N 3.25Å; M356-L359 PolarHBondContact O-N 3.1Å; A357-L359 VanDerWaalsContact C-N 3.34Å; A357-L359 PolarHBondContact O-N 3.49Å; L359-T362 PolarHBondContact O-OG1 3.09Å; L359-D363 PolarHBondContact O-N 3.29Å; L359-N404 HydrophobicContact CD1-CB 3.59Å; L359-M407 HydrophobicContact CB-CB 3.88Å; L359-M407 HydrophobicContact CB-CG 4.35Å; L359-R408 HydrophobicContact CD1-CG 4.29Å; L359-R408 HydrophobicContact CD2-CG 3.81Å; L359-I411 HydrophobicContact CB-CD1 4.41Å; L359-I411 HydrophobicContact CD2-CD1 3.69Å
360	F	98.9	Very high	98.5	Very high	75 Å²	75	25 Å²	25	33%	0.329	13%	0.129	S	C	.	.	H	α-helix	trans	-65.9	-48.2	-172.7	179.3	-92.8	0	0	0	111.7	A331 L335 M356 A357 T362 D363 E364	A331-F360 HydrophobicContact CB-CE1 4.02Å; A331-F360 HydrophobicContact CB-CZ 4.1Å; L335-F360 HydrophobicContact CD2-CB 3.63Å; L335-F360 HydrophobicContact CD2-CD1 3.77Å; L335-F360 HydrophobicContact CD2-CG 3.86Å; M356-F360 WeakPolarHBondContact O-CB 3.41Å; M356-F360 PolarHBondContact O-N 3.1Å; A357-F360 PolarHBondContact O-N 2.95Å; F360-T362 PolarHBondContact O-N 2.83Å; F360-D363 PolarHBondContact O-N 3.24Å; F360-E364 HydrophobicContact CD1-CG 4.32Å; F360-E364 HydrophobicContact CD2-CG 4.17Å; F360-E364 HydrophobicContact CE1-CG 4.03Å; F360-E364 HydrophobicContact CE2-CG 3.87Å; F360-E364 HydrophobicContact CG-CG 4.39Å; F360-E364 HydrophobicContact CZ-CG 3.79Å; F360-E364 WeakPolarHBondContact O-CB 3.14Å; F360-E364 WeakPolarHBondContact O-CG 3.5Å; F360-E364 PolarHBondContact O-N 3.46Å
361	V	98.9	Very high	98.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-66.2	-42.3	-174.2	176.6	0	0	0	0	110.7	A284 S332 V336 A357 C365	A284-V361 HydrophobicContact CB-CB 3.89Å; A284-V361 HydrophobicContact CB-CG1 3.83Å; A284-V361 HydrophobicContact CB-CG2 4.38Å; A284-V361 VanDerWaalsContact O-CG1 3.27Å; A284-V361 WeakPolarHBondContact O-CG1 3.46Å; S332-V361 WeakPolarHBondContact O-CG2 3.19Å; V336-V361 HydrophobicContact CB-CG2 4.27Å; A357-V361 WeakPolarHBondContact O-CB 3.48Å; A357-V361 WeakPolarHBondContact O-CG2 3.45Å; A357-V361 PolarHBondContact O-N 2.97Å; V361-C365 WeakPolarHBondContact O-CB 3.43Å; V361-C365 PolarHBondContact O-N 2.9Å; V361-C365 PolarHBondContact O-SG 3.36Å
362	T	98.9	Very high	98.7	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-69.3	-36.8	-179.7	60.9	0	0	0	0	112.5	K358 L359 F360 F366 H397 N404	K358-T362 HydrophobicContact CD-CG2 4.44Å; K358-T362 HydrophobicContact CG-CG2 4.32Å; K358-T362 VanDerWaalsContact O-CB 3.3Å; K358-T362 WeakPolarHBondContact O-CB 3.36Å; K358-T362 WeakPolarHBondContact O-CG2 3.4Å; K358-T362 PolarHBondContact O-N 2.89Å; K358-T362 PolarHBondContact O-OG1 3.37Å; L359-T362 PolarHBondContact O-OG1 3.09Å; F360-T362 PolarHBondContact O-N 2.83Å; T362-F366 VanDerWaalsContact O-CB 3.27Å; T362-F366 WeakPolarHBondContact O-CB 3.15Å; T362-F366 PolarHBondContact O-N 3.17Å; T362-H397 HydrophobicContact CG2-CB 3.76Å; T362-N404 PolarHBondContact OG1-ND2 2.92Å; T362-N404 PolarHBondContact OG1-OD1 2.98Å
363	D	98.9	Very high	98.8	Very high	33 Å²	33	25.4 Å²	25.4	18%	0.176	13%	0.126	C	C	.	.	H	α-helix	trans	-67	-50.6	174.3	-81.4	-11.2	0	0	0	111.3	L359 F360 F366 N367 Q398 N404 R408	L359-D363 PolarHBondContact O-N 3.29Å; F360-D363 PolarHBondContact O-N 3.24Å; D363-F366 PolarHBondContact O-N 3.43Å; D363-N367 PolarHBondContact O-N 2.95Å; D363-N367 VanDerWaalsContact O-N 3.11Å; D363-N367 PolarHBondContact O-ND2 3.34Å; D363-Q398 PolarHBondContact OD1-NE2 3.1Å; D363-N404 VanDerWaalsContact CG-ND2 3.32Å; D363-N404 PolarHBondContact OD1-ND2 2.92Å; D363-R408 IonicContact OD2-NH2 2.85Å; D363-R408 PolarHBondContact OD2-NH2 3.42Å
364	E	98.9	Very high	98.9	Very high	39 Å²	39	30.6 Å²	30.6	18%	0.182	15%	0.149	C	C	.	.	H	α-helix	trans	-72.2	-39.2	-175.1	-65.7	-54	153.3	0	0	112.8	K328 F360 F366 N367 V368	K328-E364 HydrophobicContact CB-CB 4.39Å; K328-E364 WeakPolarHBondContact CD-OE2 3.35Å; K328-E364 WeakPolarHBondContact CE-OE2 3.36Å; K328-E364 IonicContact NZ-OE2 3.43Å; K328-E364 PolarHBondContact NZ-OE2 3.26Å; F360-E364 HydrophobicContact CD1-CG 4.32Å; F360-E364 HydrophobicContact CD2-CG 4.17Å; F360-E364 HydrophobicContact CE1-CG 4.03Å; F360-E364 HydrophobicContact CE2-CG 3.87Å; F360-E364 HydrophobicContact CG-CG 4.39Å; F360-E364 HydrophobicContact CZ-CG 3.79Å; F360-E364 WeakPolarHBondContact O-CB 3.14Å; F360-E364 WeakPolarHBondContact O-CG 3.5Å; F360-E364 PolarHBondContact O-N 3.46Å; E364-F366 PolarHBondContact O-N 3.41Å; E364-N367 WeakPolarHBondContact O-CB 3.27Å; E364-N367 PolarHBondContact O-N 3.43Å; E364-V368 VanDerWaalsContact O-CG2 3.32Å; E364-V368 WeakPolarHBondContact O-CG2 3.23Å; E364-V368 PolarHBondContact O-N 2.9Å
365	C	98.9	Very high	98.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-67.4	-35.9	177	-69.1	0	0	0	0	112.2	S287 A291 V361 V368 C369 I394	S287-C365 WeakPolarHBondContact O-CB 3.38Å; A291-C365 HydrophobicContact CB-CB 3.69Å; V361-C365 WeakPolarHBondContact O-CB 3.43Å; V361-C365 PolarHBondContact O-N 2.9Å; V361-C365 PolarHBondContact O-SG 3.36Å; C365-V368 PolarHBondContact O-N 3.03Å; C365-C369 PolarHBondContact O-N 3.49Å; C365-C369 PolarHBondContact O-SG 2.94Å; C365-I394 HydrophobicContact CB-CD1 4.44Å; C365-I394 WeakPolarHBondContact O-CD1 3.45Å
366	F	98.9	Very high	98.9	Very high	36 Å²	36	31.7 Å²	31.7	16%	0.158	15%	0.154	C	C	.	.	H	α-helix	trans	-60.2	-47.9	170.7	175.2	-100.8	0	0	0	111.3	T362 D363 E364 V368 C369 N370 V391 I394 R395	T362-F366 VanDerWaalsContact O-CB 3.27Å; T362-F366 WeakPolarHBondContact O-CB 3.15Å; T362-F366 PolarHBondContact O-N 3.17Å; D363-F366 PolarHBondContact O-N 3.43Å; E364-F366 PolarHBondContact O-N 3.41Å; F366-V368 VanDerWaalsContact C-N 3.31Å; F366-V368 PolarHBondContact O-N 3.39Å; F366-C369 PolarHBondContact O-N 3.19Å; F366-N370 WeakPolarHBondContact O-CB 3.5Å; F366-N370 PolarHBondContact O-N 3.19Å; F366-V391 HydrophobicContact CE2-CG1 3.95Å; F366-I394 HydrophobicContact CB-CD1 4.48Å; F366-I394 HydrophobicContact CB-CG1 4.32Å; F366-I394 HydrophobicContact CD2-CG1 4.17Å; F366-R395 HydrophobicContact CD2-CB 4.09Å; F366-R395 HydrophobicContact CE2-CB 3.81Å; F366-R395 HydrophobicContact CE2-CG 4.2Å
367	N	98.9	Very high	98.9	Very high	64 Å²	64	30.1 Å²	30.1	34%	0.342	16%	0.157	S	C	.	.	H	α-helix	trans	-59	-42	176.4	-73.5	-33.9	0	0	0	112.2	D363 E364 N370 Q371	D363-N367 PolarHBondContact O-N 2.95Å; D363-N367 VanDerWaalsContact O-N 3.11Å; D363-N367 PolarHBondContact O-ND2 3.34Å; E364-N367 WeakPolarHBondContact O-CB 3.27Å; E364-N367 PolarHBondContact O-N 3.43Å; N367-N370 PolarHBondContact O-N 2.92Å; N367-Q371 VanDerWaalsContact O-CG 3.28Å; N367-Q371 WeakPolarHBondContact O-CG 3.38Å; N367-Q371 PolarHBondContact O-N 3.13Å
368	V	98.9	Very high	98.9	Very high	2 Å²	2	33 Å²	33	1%	0.012	19%	0.186	C	C	.	.	H	α-helix	trans	-59.7	-48.5	175.7	168.3	0	0	0	0	111.3	A291 V295 M325 K328 E364 C365 F366 N370 Q371 A372	A291-V368 HydrophobicContact CB-CB 4.11Å; A291-V368 HydrophobicContact CB-CG1 3.84Å; V295-V368 HydrophobicContact CG2-CG1 3.58Å; M325-V368 HydrophobicContact CB-CG1 4.25Å; M325-V368 HydrophobicContact CB-CG2 4.25Å; M325-V368 HydrophobicContact CE-CG1 4.05Å; M325-V368 HydrophobicContact CG-CG1 4.36Å; M325-V368 HydrophobicContact CG-CG2 4.36Å; K328-V368 HydrophobicContact CB-CG2 4.07Å; E364-V368 VanDerWaalsContact O-CG2 3.32Å; E364-V368 WeakPolarHBondContact O-CG2 3.23Å; E364-V368 PolarHBondContact O-N 2.9Å; C365-V368 PolarHBondContact O-N 3.03Å; F366-V368 VanDerWaalsContact C-N 3.31Å; F366-V368 PolarHBondContact O-N 3.39Å; V368-N370 PolarHBondContact O-N 2.91Å; V368-Q371 PolarHBondContact O-N 3.48Å; V368-A372 PolarHBondContact O-N 3.09Å
369	C	98.9	Very high	98.9	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-65.8	-39.1	179.7	-64	0	0	0	0	112	S294 C365 F366 Q371 A372 L373 F390 V391 I394	S294-C369 PolarHBondContact OG-SG 3.29Å; C365-C369 PolarHBondContact O-N 3.49Å; C365-C369 PolarHBondContact O-SG 2.94Å; F366-C369 PolarHBondContact O-N 3.19Å; C369-Q371 VanDerWaalsContact C-N 3.34Å; C369-Q371 PolarHBondContact O-N 3.06Å; C369-A372 WeakPolarHBondContact O-CB 3.45Å; C369-A372 PolarHBondContact O-N 2.96Å; C369-L373 PolarHBondContact O-N 2.99Å; C369-F390 HydrophobicContact CB-CB 4.48Å; C369-V391 VanDerWaalsContact C-CG2 3.46Å; C369-V391 HydrophobicContact CB-CG2 3.8Å; C369-V391 WeakPolarHBondContact O-CG2 3.45Å; C369-I394 HydrophobicContact CB-CD1 3.78Å; C369-I394 WeakPolarHBondContact SG-CD1 3.26Å
370	N	98.9	Very high	98.8	Very high	70 Å²	70	35.7 Å²	35.7	37%	0.374	20%	0.195	S	C	.	.	H	α-helix	trans	-65.8	-37.6	177.6	-169.1	47.6	0	0	0	111.8	F366 N367 V368 L373 Q374	F366-N370 WeakPolarHBondContact O-CB 3.5Å; F366-N370 PolarHBondContact O-N 3.19Å; N367-N370 PolarHBondContact O-N 2.92Å; V368-N370 PolarHBondContact O-N 2.91Å; N370-L373 WeakPolarHBondContact O-CB 3.44Å; N370-L373 PolarHBondContact O-N 3.23Å; N370-Q374 PolarHBondContact O-N 3.45Å
371	Q	98.9	Very high	98.8	Very high	65 Å²	65	41.1 Å²	41.1	30%	0.304	22%	0.215	S	C	.	.	H	α-helix	trans	-69.6	-36.5	173.2	-67.6	-67.4	20.8	0	0	112.4	M325 N367 V368 C369 L373 Q374 M375	M325-Q371 HydrophobicContact CG-CB 4.21Å; M325-Q371 HydrophobicContact SD-CB 3.79Å; N367-Q371 VanDerWaalsContact O-CG 3.28Å; N367-Q371 WeakPolarHBondContact O-CG 3.38Å; N367-Q371 PolarHBondContact O-N 3.13Å; V368-Q371 PolarHBondContact O-N 3.48Å; C369-Q371 VanDerWaalsContact C-N 3.34Å; C369-Q371 PolarHBondContact O-N 3.06Å; Q371-L373 VanDerWaalsContact C-N 3.28Å; Q371-L373 PolarHBondContact O-N 3.03Å; Q371-Q374 WeakPolarHBondContact O-CB 3.36Å; Q371-Q374 PolarHBondContact O-N 3Å; Q371-M375 WeakPolarHBondContact O-CG 3.4Å; Q371-M375 PolarHBondContact O-N 2.59Å
372	A	98.9	Very high	98.8	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61	-40.1	172.1	0	0	0	0	0	111.5	S294 A298 M325 V368 C369 Q374 M375 H376 V387	S294-A372 WeakPolarHBondContact O-CB 3.35Å; A298-A372 HydrophobicContact CB-CB 4.04Å; M325-A372 HydrophobicContact CE-CB 3.85Å; V368-A372 PolarHBondContact O-N 3.09Å; C369-A372 WeakPolarHBondContact O-CB 3.45Å; C369-A372 PolarHBondContact O-N 2.96Å; A372-Q374 VanDerWaalsContact C-N 3.35Å; A372-M375 PolarHBondContact O-N 3.01Å; A372-H376 PolarHBondContact O-N 3.28Å; A372-H376 PolarHBondContact O-ND1 3.05Å; A372-V387 HydrophobicContact CB-CG2 3.6Å
373	L	98.9	Very high	98.8	Very high	27 Å²	27	49.4 Å²	49.4	14%	0.141	25%	0.254	C	S	.	.	H	α-helix	trans	-58	-49	173.1	-175.8	155	0	0	0	110.4	C369 N370 Q371 M375 H376 G377 G380 V387 Q388 V391	C369-L373 PolarHBondContact O-N 2.99Å; N370-L373 WeakPolarHBondContact O-CB 3.44Å; N370-L373 PolarHBondContact O-N 3.23Å; Q371-L373 VanDerWaalsContact C-N 3.28Å; Q371-L373 PolarHBondContact O-N 3.03Å; L373-M375 VanDerWaalsContact C-N 3.3Å; L373-M375 PolarHBondContact O-N 2.97Å; L373-H376 PolarHBondContact O-N 3.29Å; L373-H376 VanDerWaalsContact O-N 3.1Å; L373-G377 PolarHBondContact O-N 3.09Å; L373-G380 WeakPolarHBondContact CG-O 3.49Å; L373-V387 HydrophobicContact CB-CG1 4.44Å; L373-V387 HydrophobicContact CB-CG2 4.17Å; L373-Q388 HydrophobicContact CD1-CB 4.23Å; L373-V391 HydrophobicContact CB-CG2 4.11Å; L373-V391 HydrophobicContact CD1-CB 4.37Å; L373-V391 HydrophobicContact CD1-CG2 3.97Å
374	Q	98.9	Very high	98.7	Very high	133 Å²	133	54.9 Å²	54.9	62%	0.621	28%	0.284	S	S	*	.	H	α-helix	trans	-58.8	-39.6	177.1	-173.1	63.1	27.9	0	0	112.6	N370 Q371 A372 H376 G377	N370-Q374 PolarHBondContact O-N 3.45Å; Q371-Q374 WeakPolarHBondContact O-CB 3.36Å; Q371-Q374 PolarHBondContact O-N 3Å; A372-Q374 VanDerWaalsContact C-N 3.35Å; Q374-H376 PolarHBondContact O-N 3.39Å; Q374-G377 PolarHBondContact O-N 3.25Å
375	M	98.8	Very high	98.7	Very high	12 Å²	12	57 Å²	57	6%	0.059	29%	0.29	C	S	.	.	H	α-helix	trans	-66.8	-21.4	178.2	-73.7	-175.4	165.8	0	0	114.1	A298 H301 L302 L318 K321 L322 M325 Q371 A372 L373 G377	A298-M375 HydrophobicContact CB-CB 4.36Å; A298-M375 HydrophobicContact CB-SD 3.78Å; H301-M375 PolarHBondContact CE1-O 3.07Å; H301-M375 PolarHBondContact ND1-O 3.13Å; L302-M375 HydrophobicContact CD1-CE 4.13Å; L302-M375 HydrophobicContact CD1-SD 3.83Å; L302-M375 HydrophobicContact CG-SD 4.42Å; L318-M375 HydrophobicContact CD2-CG 4.5Å; L318-M375 WeakPolarHBondContact O-CE 3.23Å; K321-M375 HydrophobicContact CB-CE 3.42Å; K321-M375 VanDerWaalsContact CB-CE 3.42Å; L322-M375 HydrophobicContact CB-CE 4.16Å; M325-M375 HydrophobicContact CE-SD 4.46Å; M325-M375 HydrophobicContact SD-CE 3.93Å; M325-M375 HydrophobicContact SD-SD 3.91Å; Q371-M375 WeakPolarHBondContact O-CG 3.4Å; Q371-M375 PolarHBondContact O-N 2.59Å; A372-M375 PolarHBondContact O-N 3.01Å; L373-M375 VanDerWaalsContact C-N 3.3Å; L373-M375 PolarHBondContact O-N 2.97Å; M375-G377 VanDerWaalsContact C-N 3.35Å
376	H	98.8	Very high	98.7	Very high	10 Å²	10	58.7 Å²	58.7	5%	0.046	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-7.8	172.1	-71.4	75.9	0	0	0	112.7	H301 A372 L373 Q374 G378 Y379 Y385	H301-H376 AromaticContact CG-CD2 3.8Å; H301-H376 AromaticContact CG-NE2 3.99Å; A372-H376 PolarHBondContact O-N 3.28Å; A372-H376 PolarHBondContact O-ND1 3.05Å; L373-H376 PolarHBondContact O-N 3.29Å; L373-H376 VanDerWaalsContact O-N 3.1Å; Q374-H376 PolarHBondContact O-N 3.39Å; H376-G378 PolarHBondContact O-N 2.97Å; H376-Y379 PolarHBondContact O-N 3.24Å; H376-Y385 AromaticContact CD2-CD1 3.91Å
377	G	98.6	Very high	98.7	Very high	39 Å²	39	57 Å²	57	40%	0.402	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	56.6	-136.3	-178.3	0	0	0	0	0	111.8	L373 Q374 M375 Y379 G380	L373-G377 PolarHBondContact O-N 3.09Å; Q374-G377 PolarHBondContact O-N 3.25Å; M375-G377 VanDerWaalsContact C-N 3.35Å; G377-Y379 PolarHBondContact O-N 2.99Å; G377-G380 PolarHBondContact O-N 3.46Å
378	G	98.6	Very high	98.7	Very high	60 Å²	60	54.8 Å²	54.8	62%	0.619	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-56.6	-33.5	179.7	0	0	0	0	0	114.1	H376 G380 Y381	H376-G378 PolarHBondContact O-N 2.97Å; G378-G380 VanDerWaalsContact C-N 3.29Å; G378-G380 PolarHBondContact O-N 3.45Å; G378-Y381 PolarHBondContact O-N 3.45Å; G378-Y381 VanDerWaalsContact O-N 3.15Å
379	Y	98.6	Very high	98.7	Very high	85 Å²	85	54.9 Å²	54.9	33%	0.333	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-66.5	-33.1	177.2	-61.9	-82.3	0	0	0	112.5	R305 H376 G377 Y381 L382 Y385	R305-Y379 PolarHBondContact NH1-OH 3.4Å; H376-Y379 PolarHBondContact O-N 3.24Å; G377-Y379 PolarHBondContact O-N 2.99Å; Y379-Y381 PolarHBondContact O-N 2.7Å; Y379-Y381 VanDerWaalsContact O-N 3.09Å; Y379-L382 HydrophobicContact CD1-CD1 4.22Å; Y379-L382 PolarHBondContact O-N 2.9Å; Y379-Y385 AromaticContact CD1-CE2 3.61Å; Y379-Y385 HydrophobicContact CD1-CE2 3.61Å; Y379-Y385 AromaticContact CD1-CZ 3.68Å; Y379-Y385 WeakPolarHBondContact CD1-OH 3.41Å; Y379-Y385 HydrophobicContact CG-CE2 4.06Å; Y379-Y385 AromaticContact CG-CZ 3.94Å; Y379-Y385 WeakPolarHBondContact O-CB 3.46Å; Y379-Y385 VanDerWaalsContact O-CD2 3.31Å; Y379-Y385 WeakPolarHBondContact O-CD2 3.25Å
380	G	98.6	Very high	98.7	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-62.6	-15.4	176	0	0	0	0	0	113.1	L373 G377 G378 Q388	L373-G380 WeakPolarHBondContact CG-O 3.49Å; G377-G380 PolarHBondContact O-N 3.46Å; G378-G380 VanDerWaalsContact C-N 3.29Å; G378-G380 PolarHBondContact O-N 3.45Å; G380-Q388 VanDerWaalsContact O-CB 3.29Å; G380-Q388 WeakPolarHBondContact O-CB 3.33Å
381	Y	98.7	Very high	98.7	Very high	189 Å²	189	52.6 Å²	52.6	74%	0.741	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-97.5	-6.3	177.1	-153.9	-112.8	0	0	0	113.5	G378 Y379	G378-Y381 PolarHBondContact O-N 3.45Å; G378-Y381 VanDerWaalsContact O-N 3.15Å; Y379-Y381 PolarHBondContact O-N 2.7Å; Y379-Y381 VanDerWaalsContact O-N 3.09Å
382	L	98.7	Very high	98.7	Very high	82 Å²	82	51 Å²	51	43%	0.429	26%	0.264	S	S	.	.	S	Bend	trans	-87.8	141.3	178.6	-56.2	-179	0	0	0	110.6	Y379 D384 Y385 Q388	Y379-L382 HydrophobicContact CD1-CD1 4.22Å; Y379-L382 PolarHBondContact O-N 2.9Å; L382-D384 PolarHBondContact O-N 2.78Å; L382-Y385 HydrophobicContact CB-CD2 4.34Å; L382-Y385 PolarHBondContact O-N 3.01Å; L382-Y385 VanDerWaalsContact O-N 3.13Å; L382-Q388 WeakPolarHBondContact O-CG 3.34Å
383	K	98.3	Very high	98.7	Very high	92 Å²	92	51 Å²	51	40%	0.4	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-18.4	178.4	-67.1	-53.9	-156.5	80.2	0	113.7	D71 Y385 Q388	D71-K383 IonicContact OD2-NZ 2.62Å; D71-K383 PolarHBondContact OD2-NZ 3.19Å; D71-K383 VanDerWaalsContact OD2-NZ 3.09Å; K383-Y385 PolarHBondContact O-N 2.74Å; K383-Q388 HydrophobicContact CD-CG 4.28Å
384	D	98	Very high	98.7	Very high	148 Å²	148	49.8 Å²	49.8	79%	0.791	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-15.1	175.7	-57.9	-42.8	0	0	0	113.1	L382	L382-D384 PolarHBondContact O-N 2.78Å
385	Y	98.3	Very high	98.7	Very high	83 Å²	83	48.6 Å²	48.6	33%	0.325	25%	0.248	S	C	.	.	S	Bend	trans	-108.3	119.5	179.6	-73.1	-102.2	0	0	0	110.7	H376 Y379 L382 K383 V387 Q388	H376-Y385 AromaticContact CD2-CD1 3.91Å; Y379-Y385 AromaticContact CD1-CE2 3.61Å; Y379-Y385 HydrophobicContact CD1-CE2 3.61Å; Y379-Y385 AromaticContact CD1-CZ 3.68Å; Y379-Y385 WeakPolarHBondContact CD1-OH 3.41Å; Y379-Y385 HydrophobicContact CG-CE2 4.06Å; Y379-Y385 AromaticContact CG-CZ 3.94Å; Y379-Y385 WeakPolarHBondContact O-CB 3.46Å; Y379-Y385 VanDerWaalsContact O-CD2 3.31Å; Y379-Y385 WeakPolarHBondContact O-CD2 3.25Å; L382-Y385 HydrophobicContact CB-CD2 4.34Å; L382-Y385 PolarHBondContact O-N 3.01Å; L382-Y385 VanDerWaalsContact O-N 3.13Å; K383-Y385 PolarHBondContact O-N 2.74Å; Y385-V387 PolarHBondContact O-N 3.48Å; Y385-Q388 WeakPolarHBondContact O-CG 3.48Å; Y385-Q388 PolarHBondContact O-N 3.45Å
386	A	98.5	Very high	98.7	Very high	35 Å²	35	50 Å²	50	29%	0.289	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	-32.2	-177.1	0	0	0	0	0	115.1	M67 L297 Q388 Q389 F390	M67-A386 HydrophobicContact CE-CB 3.57Å; L297-A386 HydrophobicContact CD1-CB 4.14Å; A386-Q388 PolarHBondContact O-N 2.92Å; A386-Q388 VanDerWaalsContact O-N 3.11Å; A386-Q389 WeakPolarHBondContact O-CB 3.48Å; A386-Q389 PolarHBondContact O-N 2.93Å; A386-F390 HydrophobicContact CB-CE2 3.98Å; A386-F390 PolarHBondContact O-N 3.4Å
387	V	98.5	Very high	98.7	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.006	25%	0.254	C	S	.	.	H	α-helix	trans	-54.4	-36.2	-173.7	71.5	0	0	0	0	113.4	A372 L373 Y385 Q389 F390 V391	A372-V387 HydrophobicContact CB-CG2 3.6Å; L373-V387 HydrophobicContact CB-CG1 4.44Å; L373-V387 HydrophobicContact CB-CG2 4.17Å; Y385-V387 PolarHBondContact O-N 3.48Å; V387-Q389 VanDerWaalsContact C-N 3.29Å; V387-Q389 PolarHBondContact O-N 3.48Å; V387-F390 PolarHBondContact O-N 3.26Å; V387-V391 WeakPolarHBondContact O-CG2 3.32Å; V387-V391 PolarHBondContact O-N 2.93Å; V387-V391 VanDerWaalsContact O-N 3.14Å
388	Q	98.8	Very high	98.7	Very high	17 Å²	17	48.9 Å²	48.9	8%	0.079	24%	0.241	C	C	.	.	H	α-helix	trans	-70.3	-29.1	-179.6	73.3	77.2	-124.7	0	0	112.5	L373 G380 L382 K383 Y385 A386 R392	L373-Q388 HydrophobicContact CD1-CB 4.23Å; G380-Q388 VanDerWaalsContact O-CB 3.29Å; G380-Q388 WeakPolarHBondContact O-CB 3.33Å; L382-Q388 WeakPolarHBondContact O-CG 3.34Å; K383-Q388 HydrophobicContact CD-CG 4.28Å; Y385-Q388 WeakPolarHBondContact O-CG 3.48Å; Y385-Q388 PolarHBondContact O-N 3.45Å; A386-Q388 PolarHBondContact O-N 2.92Å; A386-Q388 VanDerWaalsContact O-N 3.11Å; Q388-R392 WeakPolarHBondContact O-CG 3.46Å; Q388-R392 PolarHBondContact O-N 3.22Å; Q388-R392 PolarHBondContact O-NE 3.33Å
389	Q	98.9	Very high	98.7	Very high	4 Å²	4	50.1 Å²	50.1	2%	0.019	23%	0.233	C	C	.	.	H	α-helix	trans	-74.9	-41.9	176.6	-176.6	164.6	-24.4	0	0	110.2	M67 A386 V387 V391 R392 D393	M67-Q389 HydrophobicContact CE-CB 4.26Å; M67-Q389 VanDerWaalsContact CG-CD 3.47Å; M67-Q389 PolarHBondContact O-OE1 3.16Å; M67-Q389 HydrophobicContact SD-CG 4.29Å; A386-Q389 WeakPolarHBondContact O-CB 3.48Å; A386-Q389 PolarHBondContact O-N 2.93Å; V387-Q389 VanDerWaalsContact C-N 3.29Å; V387-Q389 PolarHBondContact O-N 3.48Å; Q389-V391 VanDerWaalsContact C-N 3.28Å; Q389-V391 PolarHBondContact O-N 2.97Å; Q389-R392 PolarHBondContact O-N 3.25Å; Q389-R392 VanDerWaalsContact O-N 3.14Å; Q389-D393 WeakPolarHBondContact CG-OD2 3.31Å; Q389-D393 PolarHBondContact NE2-OD2 3.48Å; Q389-D393 WeakPolarHBondContact O-CB 3.48Å; Q389-D393 PolarHBondContact O-N 2.98Å
390	F	98.9	Very high	98.6	Very high	4 Å²	4	48.7 Å²	48.7	2%	0.018	23%	0.231	C	C	.	.	H	α-helix	trans	-54.9	-44.7	172.7	-66.5	-45.9	0	0	0	112	M67 V120 A290 A293 L297 C369 A386 V387 D393 I394	M67-F390 HydrophobicContact SD-CE1 4.19Å; M67-F390 HydrophobicContact SD-CZ 4.46Å; V120-F390 HydrophobicContact CG2-CD1 3.71Å; V120-F390 HydrophobicContact CG2-CE1 4.07Å; A290-F390 HydrophobicContact CB-CB 4.13Å; A290-F390 HydrophobicContact CB-CD1 3.81Å; A290-F390 HydrophobicContact CB-CG 4.15Å; A293-F390 HydrophobicContact CB-CD2 4.5Å; A293-F390 HydrophobicContact CB-CE2 3.71Å; A293-F390 HydrophobicContact CB-CZ 3.74Å; L297-F390 HydrophobicContact CD1-CE2 4.08Å; C369-F390 HydrophobicContact CB-CB 4.48Å; A386-F390 HydrophobicContact CB-CE2 3.98Å; A386-F390 PolarHBondContact O-N 3.4Å; V387-F390 PolarHBondContact O-N 3.26Å; F390-D393 PolarHBondContact O-N 3.44Å; F390-I394 VanDerWaalsContact O-CG1 3.27Å; F390-I394 WeakPolarHBondContact O-CG1 3.41Å; F390-I394 PolarHBondContact O-N 2.96Å
391	V	98.9	Very high	98.5	Very high	18 Å²	18	50.1 Å²	50.1	11%	0.109	24%	0.237	C	C	.	.	H	α-helix	trans	-58.6	-49.2	175.3	172.8	0	0	0	0	112	F366 C369 L373 V387 Q389 R395	F366-V391 HydrophobicContact CE2-CG1 3.95Å; C369-V391 VanDerWaalsContact C-CG2 3.46Å; C369-V391 HydrophobicContact CB-CG2 3.8Å; C369-V391 WeakPolarHBondContact O-CG2 3.45Å; L373-V391 HydrophobicContact CB-CG2 4.11Å; L373-V391 HydrophobicContact CD1-CB 4.37Å; L373-V391 HydrophobicContact CD1-CG2 3.97Å; V387-V391 WeakPolarHBondContact O-CG2 3.32Å; V387-V391 PolarHBondContact O-N 2.93Å; V387-V391 VanDerWaalsContact O-N 3.14Å; Q389-V391 VanDerWaalsContact C-N 3.28Å; Q389-V391 PolarHBondContact O-N 2.97Å; V391-R395 WeakPolarHBondContact O-CB 3.3Å; V391-R395 PolarHBondContact O-N 3.43Å
392	R	98.9	Very high	98.4	Very high	33 Å²	33	42.2 Å²	42.2	13%	0.125	21%	0.213	C	C	.	.	H	α-helix	trans	-65.4	-42.8	-179	-70.6	178	-55.8	111.7	-8	112.1	D71 V239 N242 Q388 Q389	D71-R392 IonicContact OD1-CZ 2.89Å; D71-R392 IonicContact OD1-NH1 2.69Å; D71-R392 PolarHBondContact OD1-NH1 3.21Å; D71-R392 IonicContact OD1-NH2 3.66Å; D71-R392 PolarHBondContact OD1-NH2 2.97Å; D71-R392 IonicContact OD2-CZ 3.23Å; D71-R392 IonicContact OD2-NH1 2.82Å; D71-R392 PolarHBondContact OD2-NH1 2.69Å; D71-R392 IonicContact OD2-NH2 2.9Å; D71-R392 PolarHBondContact OD2-NH2 3.33Å; V239-R392 HydrophobicContact CG1-CB 4.19Å; V239-R392 HydrophobicContact CG1-CG 3.99Å; V239-R392 WeakPolarHBondContact O-CD 3.42Å; V239-R392 PolarHBondContact O-NH1 3.02Å; N242-R392 PolarHBondContact ND2-NH1 3.2Å; Q388-R392 WeakPolarHBondContact O-CG 3.46Å; Q388-R392 PolarHBondContact O-N 3.22Å; Q388-R392 PolarHBondContact O-NE 3.33Å; Q389-R392 PolarHBondContact O-N 3.25Å; Q389-R392 VanDerWaalsContact O-N 3.14Å
393	D	98.9	Very high	98.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-72.8	-40.4	-174	-75.2	-8.3	0	0	0	111.9	V120 S121 G240 W241 Q389 F390 V396 H397	V120-D393 HydrophobicContact CB-CB 3.85Å; V120-D393 HydrophobicContact CG1-CB 3.87Å; S121-D393 PolarHBondContact N-OD2 3.01Å; G240-D393 WeakPolarHBondContact CA-OD1 3.47Å; W241-D393 PolarHBondContact N-OD1 2.97Å; W241-D393 PolarHBondContact NE1-O 3.36Å; W241-D393 VanDerWaalsContact NE1-O 3.08Å; Q389-D393 WeakPolarHBondContact CG-OD2 3.31Å; Q389-D393 PolarHBondContact NE2-OD2 3.48Å; Q389-D393 WeakPolarHBondContact O-CB 3.48Å; Q389-D393 PolarHBondContact O-N 2.98Å; F390-D393 PolarHBondContact O-N 3.44Å; D393-V396 WeakPolarHBondContact O-CG1 3.4Å; D393-H397 PolarHBondContact O-NE2 3.34Å
394	I	98.8	Very high	98.4	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-86.2	-11.5	-179.5	76.7	-171.4	0	0	0	113.6	V120 A290 C365 F366 C369 F390 V396 H397	V120-I394 HydrophobicContact CG1-CG2 3.84Å; V120-I394 HydrophobicContact CG2-CG2 4.16Å; A290-I394 HydrophobicContact CB-CD1 4.1Å; A290-I394 HydrophobicContact CB-CG2 3.45Å; A290-I394 VanDerWaalsContact CB-CG2 3.45Å; C365-I394 HydrophobicContact CB-CD1 4.44Å; C365-I394 WeakPolarHBondContact O-CD1 3.45Å; F366-I394 HydrophobicContact CB-CD1 4.48Å; F366-I394 HydrophobicContact CB-CG1 4.32Å; F366-I394 HydrophobicContact CD2-CG1 4.17Å; C369-I394 HydrophobicContact CB-CD1 3.78Å; C369-I394 WeakPolarHBondContact SG-CD1 3.26Å; F390-I394 VanDerWaalsContact O-CG1 3.27Å; F390-I394 WeakPolarHBondContact O-CG1 3.41Å; F390-I394 PolarHBondContact O-N 2.96Å; I394-V396 PolarHBondContact O-N 2.95Å; I394-H397 VanDerWaalsContact O-CB 3.28Å; I394-H397 WeakPolarHBondContact O-CB 3.39Å; I394-H397 PolarHBondContact O-N 3.15Å
395	R	98.9	Very high	98.4	Very high	108 Å²	108	33.8 Å²	33.8	41%	0.408	17%	0.17	S	C	.	.	H	α-helix	trans	-56.7	-38.2	174	177.4	58.4	-170.5	89.9	-5.7	111.5	F366 V391 H397	F366-R395 HydrophobicContact CD2-CB 4.09Å; F366-R395 HydrophobicContact CE2-CB 3.81Å; F366-R395 HydrophobicContact CE2-CG 4.2Å; V391-R395 WeakPolarHBondContact O-CB 3.3Å; V391-R395 PolarHBondContact O-N 3.43Å; R395-H397 PolarHBondContact O-N 3.18Å
396	V	98.8	Very high	98.4	Very high	40 Å²	40	31 Å²	31	24%	0.242	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-72.5	-17.8	-179.6	82.4	0	0	0	0	112.5	W241 D393 I394 Q398 I399 L400	W241-V396 HydrophobicContact CD2-CG1 3.66Å; W241-V396 VanDerWaalsContact CE2-CG1 3.5Å; W241-V396 HydrophobicContact CE3-CG1 4.24Å; W241-V396 HydrophobicContact CG-CG1 3.93Å; W241-V396 HydrophobicContact CZ2-CG1 3.96Å; D393-V396 WeakPolarHBondContact O-CG1 3.4Å; I394-V396 PolarHBondContact O-N 2.95Å; V396-Q398 PolarHBondContact O-N 3.5Å; V396-I399 WeakPolarHBondContact O-CA 3.45Å; V396-I399 WeakPolarHBondContact O-CB 3.36Å; V396-I399 PolarHBondContact O-N 2.7Å; V396-L400 HydrophobicContact CG1-CD1 3.96Å; V396-L400 HydrophobicContact CG2-CD1 3.87Å; V396-L400 HydrophobicContact CG2-CG 4Å; V396-L400 PolarHBondContact O-N 3.39Å
397	H	98.9	Very high	98.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-66.7	-25.6	178.7	-59.7	-178.3	0	0	0	112.4	V120 W241 I283 S287 K358 T362 D393 I394 R395 I399	V120-H397 VanDerWaalsContact CG1-CE1 3.42Å; V120-H397 WeakPolarHBondContact CG1-CE1 3.42Å; W241-H397 AromaticContact CE2-CD2 3.77Å; W241-H397 AromaticContact CE2-NE2 3.49Å; W241-H397 AromaticContact CZ2-CD2 3.43Å; W241-H397 VanDerWaalsContact CZ2-CD2 3.43Å; W241-H397 WeakPolarHBondContact CZ2-CD2 3.43Å; W241-H397 AromaticContact CZ2-NE2 3.31Å; W241-H397 VanDerWaalsContact CZ2-NE2 3.31Å; W241-H397 WeakPolarHBondContact CZ2-NE2 3.14Å; W241-H397 AromaticContact NE1-CD2 3.66Å; W241-H397 AromaticContact NE1-NE2 3.13Å; W241-H397 PolarHBondContact NE1-NE2 2.91Å; W241-H397 VanDerWaalsContact NE1-NE2 3.13Å; I283-H397 HydrophobicContact CD1-CB 3.99Å; I283-H397 HydrophobicContact CG1-CB 3.88Å; I283-H397 PolarHBondContact O-ND1 3.09Å; S287-H397 PolarHBondContact OG-ND1 3.49Å; K358-H397 WeakPolarHBondContact CE-O 3.29Å; K358-H397 PolarHBondContact NZ-O 2.94Å; T362-H397 HydrophobicContact CG2-CB 3.76Å; D393-H397 PolarHBondContact O-NE2 3.34Å; I394-H397 VanDerWaalsContact O-CB 3.28Å; I394-H397 WeakPolarHBondContact O-CB 3.39Å; I394-H397 PolarHBondContact O-N 3.15Å; R395-H397 PolarHBondContact O-N 3.18Å; H397-I399 PolarHBondContact O-N 2.85Å
398	Q	98.9	Very high	98.4	Very high	27 Å²	27	34.4 Å²	34.4	13%	0.126	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-69.4	-13.1	171.8	-61.5	172.1	-60.4	0	0	112.7	K358 D363 V396 T403 N404	K358-Q398 PolarHBondContact NZ-O 3.4Å; D363-Q398 PolarHBondContact OD1-NE2 3.1Å; V396-Q398 PolarHBondContact O-N 3.5Å; Q398-T403 WeakPolarHBondContact O-CA 3.27Å; Q398-N404 PolarHBondContact O-N 2.89Å; Q398-N404 PolarHBondContact O-OD1 3.1Å
399	I	98.8	Very high	98.3	Very high	85 Å²	85	38.4 Å²	38.4	44%	0.436	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-44.1	-175	-54.9	172.9	0	0	0	111.4	V396 H397 G402 T403	V396-I399 WeakPolarHBondContact O-CA 3.45Å; V396-I399 WeakPolarHBondContact O-CB 3.36Å; V396-I399 PolarHBondContact O-N 2.7Å; H397-I399 PolarHBondContact O-N 2.85Å; I399-G402 CarbonylContact O-C 3.6Å; I399-T403 HydrophobicContact CG2-CG2 4.29Å; I399-T403 WeakPolarHBondContact O-CA 3.26Å; I399-T403 WeakPolarHBondContact O-CG2 3.48Å; I399-T403 PolarHBondContact O-N 3.38Å
400	L	97.5	Very high	98.2	Very high	56 Å²	56	39.8 Å²	39.8	29%	0.293	19%	0.193	S	C	.	.	S	Bend	trans	-81.1	167.9	-175.1	-60.2	175.1	0	0	0	112.9	W241 I283 K358 V396 G402	W241-L400 HydrophobicContact CE3-CD1 3.87Å; W241-L400 HydrophobicContact CH2-CD1 3.31Å; W241-L400 HydrophobicContact CZ2-CD1 4.04Å; W241-L400 HydrophobicContact CZ3-CD1 3.2Å; I283-L400 HydrophobicContact CD1-CB 3.84Å; K358-L400 WeakPolarHBondContact CE-O 3.43Å; K358-L400 PolarHBondContact NZ-O 3.01Å; V396-L400 HydrophobicContact CG1-CD1 3.96Å; V396-L400 HydrophobicContact CG2-CD1 3.87Å; V396-L400 HydrophobicContact CG2-CG 4Å; V396-L400 PolarHBondContact O-N 3.39Å; L400-G402 PolarHBondContact O-N 3.46Å; L400-G402 VanDerWaalsContact O-O 3.09Å
401	E	94.9	Very high	98.1	Very high	30 Å²	30	40.8 Å²	40.8	14%	0.14	20%	0.199	C	C	.	.	S	Bend	trans	57.1	29.2	-175.8	-61.7	-62.9	136.8	0	0	113.1	L276 G279 R280 I283 M407	L276-E401 WeakPolarHBondContact CD2-OE2 3.41Å; G279-E401 WeakPolarHBondContact CA-OE2 3.36Å; R280-E401 HydrophobicContact CG-CB 4.2Å; R280-E401 PolarHBondContact NE-O 2.69Å; I283-E401 HydrophobicContact CB-CG 4.25Å; I283-E401 HydrophobicContact CD1-CG 4.03Å; I283-E401 HydrophobicContact CG2-CB 4.1Å; I283-E401 HydrophobicContact CG2-CG 4.02Å; E401-M407 WeakPolarHBondContact O-CE 3.43Å
402	G	96.4	Very high	98	Very high	22 Å²	22	42.5 Å²	42.5	23%	0.227	21%	0.212	C	C	.	.	S	Bend	trans	87.3	126.3	-167.5	0	0	0	0	0	111.1	K358 I399 L400	K358-G402 WeakPolarHBondContact CE-O 3.33Å; K358-G402 PolarHBondContact NZ-O 3.25Å; I399-G402 CarbonylContact O-C 3.6Å; L400-G402 PolarHBondContact O-N 3.46Å; L400-G402 VanDerWaalsContact O-O 3.09Å
403	T	98.5	Very high	97.8	Very high	24 Å²	24	48.5 Å²	48.5	15%	0.147	23%	0.234	C	C	.	.			trans	-59	159.3	-179.2	68.5	0	0	0	0	111.3	Q398 I399 E405 V406 M407	Q398-T403 WeakPolarHBondContact O-CA 3.27Å; I399-T403 HydrophobicContact CG2-CG2 4.29Å; I399-T403 WeakPolarHBondContact O-CA 3.26Å; I399-T403 WeakPolarHBondContact O-CG2 3.48Å; I399-T403 PolarHBondContact O-N 3.38Å; T403-E405 PolarHBondContact O-N 2.84Å; T403-E405 VanDerWaalsContact O-N 3.16Å; T403-E405 PolarHBondContact OG1-OE2 3.11Å; T403-V406 CarbonylContact O-C 3.52Å; T403-V406 WeakPolarHBondContact O-CA 3.25Å; T403-V406 WeakPolarHBondContact O-CB 3.42Å; T403-V406 PolarHBondContact O-N 2.86Å; T403-V406 WeakPolarHBondContact OG1-CG2 3.36Å; T403-V406 PolarHBondContact OG1-N 2.86Å; T403-M407 PolarHBondContact O-N 3.38Å
404	N	98.7	Very high	97.6	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.011	25%	0.245	C	C	.	.	H	α-helix	trans	-60.8	-25.2	176.7	-75.9	4.6	0	0	0	112.2	K358 L359 T362 D363 Q398 M407 R408	K358-N404 PolarHBondContact NZ-OD1 3.5Å; L359-N404 HydrophobicContact CD1-CB 3.59Å; T362-N404 PolarHBondContact OG1-ND2 2.92Å; T362-N404 PolarHBondContact OG1-OD1 2.98Å; D363-N404 VanDerWaalsContact CG-ND2 3.32Å; D363-N404 PolarHBondContact OD1-ND2 2.92Å; Q398-N404 PolarHBondContact O-N 2.89Å; Q398-N404 PolarHBondContact O-OD1 3.1Å; N404-M407 PolarHBondContact O-N 3.34Å; N404-R408 WeakPolarHBondContact O-CG 3.38Å; N404-R408 PolarHBondContact O-N 3.49Å; N404-R408 PolarHBondContact O-NH1 3.38Å
405	E	98.7	Very high	97.4	Very high	119 Å²	119	55.6 Å²	55.6	56%	0.556	27%	0.272	S	S	*	.	H	α-helix	trans	-67.3	-41.7	169.6	-65.4	62.5	-122	0	0	112	T403 M407 R408 M409	T403-E405 PolarHBondContact O-N 2.84Å; T403-E405 VanDerWaalsContact O-N 3.16Å; T403-E405 PolarHBondContact OG1-OE2 3.11Å; E405-M407 VanDerWaalsContact C-N 3.34Å; E405-R408 PolarHBondContact O-N 2.95Å; E405-R408 IonicContact OE1-NH1 3.74Å; E405-R408 PolarHBondContact OE1-NH1 3.1Å; E405-M409 PolarHBondContact O-N 3.19Å
406	V	98.1	Very high	97.2	Very high	24 Å²	24	57.6 Å²	57.6	15%	0.145	29%	0.29	C	S	.	.	H	α-helix	trans	-65.7	-37.7	173.2	172.5	0	0	0	0	110.9	T403 R408 M409 I410	T403-V406 CarbonylContact O-C 3.52Å; T403-V406 WeakPolarHBondContact O-CA 3.25Å; T403-V406 WeakPolarHBondContact O-CB 3.42Å; T403-V406 PolarHBondContact O-N 2.86Å; T403-V406 WeakPolarHBondContact OG1-CG2 3.36Å; T403-V406 PolarHBondContact OG1-N 2.86Å; V406-R408 VanDerWaalsContact C-N 3.35Å; V406-R408 PolarHBondContact O-N 3.29Å; V406-M409 WeakPolarHBondContact O-CB 3.38Å; V406-M409 PolarHBondContact O-N 2.62Å; V406-I410 HydrophobicContact CG1-CD1 3.99Å; V406-I410 HydrophobicContact CG1-CG1 4.45Å; V406-I410 WeakPolarHBondContact O-CG1 3.46Å; V406-I410 PolarHBondContact O-N 3.03Å
407	M	98.4	Very high	96.9	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-61.4	-45.3	174.9	-64.6	-55.5	102	0	0	111	R280 K358 L359 E401 T403 N404 E405 M409 I410 I411	R280-M407 HydrophobicContact CG-SD 4.34Å; K358-M407 HydrophobicContact CB-SD 4.33Å; K358-M407 HydrophobicContact CD-CG 3.68Å; K358-M407 HydrophobicContact CD-SD 4.02Å; L359-M407 HydrophobicContact CB-CB 3.88Å; L359-M407 HydrophobicContact CB-CG 4.35Å; E401-M407 WeakPolarHBondContact O-CE 3.43Å; T403-M407 PolarHBondContact O-N 3.38Å; N404-M407 PolarHBondContact O-N 3.34Å; E405-M407 VanDerWaalsContact C-N 3.34Å; M407-M409 VanDerWaalsContact C-N 3.3Å; M407-M409 PolarHBondContact O-N 3.17Å; M407-I410 HydrophobicContact CE-CD1 3.9Å; M407-I410 PolarHBondContact O-N 3.4Å; M407-I411 WeakPolarHBondContact O-CB 3.14Å; M407-I411 WeakPolarHBondContact O-CD1 3.45Å; M407-I411 WeakPolarHBondContact O-CG1 3.4Å; M407-I411 PolarHBondContact O-N 3.34Å
408	R	98.4	Very high	96	Very high	108 Å²	108	66.6 Å²	66.6	41%	0.408	34%	0.336	S	S	.	.	H	α-helix	trans	-57.4	-43.6	174.7	-71.1	176.5	-172.1	97	4.2	111.4	L359 D363 N404 E405 V406 I410 I411 S412	L359-R408 HydrophobicContact CD1-CG 4.29Å; L359-R408 HydrophobicContact CD2-CG 3.81Å; D363-R408 IonicContact OD2-NH2 2.85Å; D363-R408 PolarHBondContact OD2-NH2 3.42Å; N404-R408 WeakPolarHBondContact O-CG 3.38Å; N404-R408 PolarHBondContact O-N 3.49Å; N404-R408 PolarHBondContact O-NH1 3.38Å; E405-R408 PolarHBondContact O-N 2.95Å; E405-R408 IonicContact OE1-NH1 3.74Å; E405-R408 PolarHBondContact OE1-NH1 3.1Å; V406-R408 VanDerWaalsContact C-N 3.35Å; V406-R408 PolarHBondContact O-N 3.29Å; R408-I410 PolarHBondContact O-N 3.27Å; R408-I411 PolarHBondContact O-N 3.17Å; R408-S412 WeakPolarHBondContact O-CB 3.49Å; R408-S412 PolarHBondContact O-N 2.73Å; R408-S412 PolarHBondContact O-OG 3.09Å
409	M	97.5	Very high	93.8	Very high	101 Å²	101	74.4 Å²	74.4	50%	0.498	39%	0.393	S	S	.	.	H	α-helix	trans	-59.8	-45.2	176.1	-175.4	-164.7	-59.8	0	0	112.6	E405 V406 M407 S412 R413	E405-M409 PolarHBondContact O-N 3.19Å; V406-M409 WeakPolarHBondContact O-CB 3.38Å; V406-M409 PolarHBondContact O-N 2.62Å; M407-M409 VanDerWaalsContact C-N 3.3Å; M407-M409 PolarHBondContact O-N 3.17Å; M409-S412 PolarHBondContact O-OG 3.34Å; M409-R413 VanDerWaalsContact O-CB 3.26Å; M409-R413 WeakPolarHBondContact O-CB 3.34Å; M409-R413 PolarHBondContact O-N 2.87Å
410	I	95.3	Very high	93.5	Very high	33 Å²	33	73.9 Å²	73.9	17%	0.169	39%	0.391	C	S	.	.	H	α-helix	trans	-63.9	-48.9	179.1	-66.7	166.1	0	0	0	110.1	V406 M407 R408 R413 N414	V406-I410 HydrophobicContact CG1-CD1 3.99Å; V406-I410 HydrophobicContact CG1-CG1 4.45Å; V406-I410 WeakPolarHBondContact O-CG1 3.46Å; V406-I410 PolarHBondContact O-N 3.03Å; M407-I410 HydrophobicContact CE-CD1 3.9Å; M407-I410 PolarHBondContact O-N 3.4Å; R408-I410 PolarHBondContact O-N 3.27Å; I410-R413 PolarHBondContact O-N 3.07Å; I410-N414 PolarHBondContact O-N 3.06Å
411	I	97.5	Very high	93.3	Very high	26 Å²	26	74.8 Å²	74.8	13%	0.133	40%	0.397	C	S	.	.	H	α-helix	trans	-61.2	-48.9	-179.4	-64.9	160.9	0	0	0	110.5	M356 L359 M407 R408 R413 N414 L415	M356-I411 HydrophobicContact CB-CD1 4.34Å; M356-I411 HydrophobicContact CE-CG2 3.76Å; M356-I411 HydrophobicContact CG-CD1 3.74Å; M356-I411 HydrophobicContact CG-CG1 3.86Å; M356-I411 HydrophobicContact CG-CG2 4.3Å; L359-I411 HydrophobicContact CB-CD1 4.41Å; L359-I411 HydrophobicContact CD2-CD1 3.69Å; M407-I411 WeakPolarHBondContact O-CB 3.14Å; M407-I411 WeakPolarHBondContact O-CD1 3.45Å; M407-I411 WeakPolarHBondContact O-CG1 3.4Å; M407-I411 PolarHBondContact O-N 3.34Å; R408-I411 PolarHBondContact O-N 3.17Å; I411-R413 VanDerWaalsContact C-N 3.31Å; I411-R413 PolarHBondContact O-N 3.41Å; I411-N414 PolarHBondContact O-N 3.24Å; I411-L415 WeakPolarHBondContact O-CB 3.28Å; I411-L415 PolarHBondContact O-N 2.89Å
412	S	97.4	Very high	93.2	Very high	54 Å²	54	77.3 Å²	77.3	38%	0.378	41%	0.411	S	S	.	.	H	α-helix	trans	-63.5	-38.9	-180	63	0	0	0	0	111.9	R408 M409 L416	R408-S412 WeakPolarHBondContact O-CB 3.49Å; R408-S412 PolarHBondContact O-N 2.73Å; R408-S412 PolarHBondContact O-OG 3.09Å; M409-S412 PolarHBondContact O-OG 3.34Å; S412-L416 WeakPolarHBondContact O-CB 3.45Å; S412-L416 WeakPolarHBondContact O-CD1 3.25Å; S412-L416 WeakPolarHBondContact O-CG 3.35Å; S412-L416 PolarHBondContact O-N 3.44Å
413	R	95	Very high	93.1	Very high	158 Å²	158	80.6 Å²	80.6	60%	0.596	42%	0.422	S	S	*	.	H	α-helix	trans	-63.4	-49.6	177.8	-179.2	179.6	-67.9	166.8	1	110.4	M409 I410 I411 L416 T417	M409-R413 VanDerWaalsContact O-CB 3.26Å; M409-R413 WeakPolarHBondContact O-CB 3.34Å; M409-R413 PolarHBondContact O-N 2.87Å; I410-R413 PolarHBondContact O-N 3.07Å; I411-R413 VanDerWaalsContact C-N 3.31Å; I411-R413 PolarHBondContact O-N 3.41Å; R413-L416 PolarHBondContact O-N 3.21Å; R413-T417 WeakPolarHBondContact O-CG2 3.35Å; R413-T417 PolarHBondContact O-N 3.39Å; R413-T417 PolarHBondContact O-OG1 3.04Å
414	N	93.7	Very high	92.7	Very high	44 Å²	44	84.1 Å²	84.1	24%	0.235	44%	0.439	C	S	.	.	H	α-helix	trans	-59.9	-50	-178.9	-70.8	-2	0	0	0	110.7	S352 I410 I411 L416 T417 E418	S352-N414 PolarHBondContact OG-ND2 3.37Å; I410-N414 PolarHBondContact O-N 3.06Å; I411-N414 PolarHBondContact O-N 3.24Å; N414-L416 VanDerWaalsContact C-N 3.31Å; N414-L416 PolarHBondContact O-N 2.82Å; N414-T417 CarbonylContact O-C 3.52Å; N414-T417 PolarHBondContact O-N 3.2Å; N414-T417 PolarHBondContact O-OG1 3.12Å; N414-E418 PolarHBondContact O-N 3.29Å; N414-E418 VanDerWaalsContact O-N 3.13Å
415	L	95.2	Very high	92.3	Very high	107 Å²	107	89.6 Å²	89.6	56%	0.56	47%	0.467	S	S	*	.	H	α-helix	trans	-59.9	-36.9	-179.6	-173.1	64.1	0	0	0	113.2	I411 T417	I411-L415 WeakPolarHBondContact O-CB 3.28Å; I411-L415 PolarHBondContact O-N 2.89Å; L415-T417 VanDerWaalsContact C-N 3.28Å; L415-T417 PolarHBondContact O-N 2.97Å
416	L	95.4	Very high	91.9	Very high	150 Å²	150	87.5 Å²	87.5	79%	0.785	46%	0.461	S	S	*	.	H	α-helix	trans	-77.1	-12.7	177.8	-70.9	171.9	0	0	0	113.8	S412 R413 N414	S412-L416 WeakPolarHBondContact O-CB 3.45Å; S412-L416 WeakPolarHBondContact O-CD1 3.25Å; S412-L416 WeakPolarHBondContact O-CG 3.35Å; S412-L416 PolarHBondContact O-N 3.44Å; R413-L416 PolarHBondContact O-N 3.21Å; N414-L416 VanDerWaalsContact C-N 3.31Å; N414-L416 PolarHBondContact O-N 2.82Å
417	T	90.8	Very high	91.4	Very high	94 Å²	94	92.4 Å²	92.4	58%	0.577	49%	0.485	S	S	*	.	H	α-helix	trans	-108.5	0.5	179.8	56.9	0	0	0	0	113.4	R413 N414 L415 S419	R413-T417 WeakPolarHBondContact O-CG2 3.35Å; R413-T417 PolarHBondContact O-N 3.39Å; R413-T417 PolarHBondContact O-OG1 3.04Å; N414-T417 CarbonylContact O-C 3.52Å; N414-T417 PolarHBondContact O-N 3.2Å; N414-T417 PolarHBondContact O-OG1 3.12Å; L415-T417 VanDerWaalsContact C-N 3.28Å; L415-T417 PolarHBondContact O-N 2.97Å; T417-S419 PolarHBondContact O-N 2.8Å
418	E	81.1	Confident	90.8	Very high	134 Å²	134	100.1 Å²	100.1	63%	0.626	53%	0.526	S	S	*	.			trans	-61.4	127	171.4	-76.4	171.2	-164.9	0	0	109.1	N414	N414-E418 PolarHBondContact O-N 3.29Å; N414-E418 VanDerWaalsContact O-N 3.13Å
419	S	52.1	Low	90.1	Very high	192 Å²	192	99.4 Å²	99.4	100%	1.343	54%	0.536	S	S	*	.			trans	-105.7	0	179.3	-56.6	0	0	0	0	110.9	T417	T417-S419 PolarHBondContact O-N 2.8Å

Retrieved 419 of 419 residues in 386.2 ms (Link to these results)

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