A0A087XBS3_POEFO Loading...

mRNA cap guanine-N(7) methyltransferase

Catalytic subunit of the mRNA-capping methyltransferase RNMT:RAMAC complex that methylates the N7 position of the added guanosine to the 5'-cap structure of mRNAs. Binds RNA containing 5'-terminal GpppC.

AlphaFold DB , UniProt , Accession A0A087XBS3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 394 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.4	Very low	31.5	Very low	238 Å²	238	155.6 Å²	155.6	100%	1.172	86%	0.861	S	S	*	*				0	114.9	0	-76.4	171.6	176.2	0	0	105.8
2	E	33.4	Very low	31.7	Very low	152 Å²	152	156.9 Å²	156.9	71%	0.71	87%	0.865	S	S	*	*			cis	-170.6	129.2	10.2	-166.7	163.1	-172	0	0	106.5
3	Q	28.7	Very low	31.9	Very low	158 Å²	158	159.4 Å²	159.4	74%	0.738	87%	0.867	S	S	*	*			trans	54.7	121.2	146.7	-58.6	176.8	41.8	0	0	119.1
4	A	30.1	Very low	32	Very low	95 Å²	95	161.9 Å²	161.9	79%	0.785	87%	0.87	S	S	*	*			cis	63.3	104.9	45.8	0	0	0	0	0	114.4
5	E	34.9	Very low	32	Very low	198 Å²	198	164.1 Å²	164.1	93%	0.925	87%	0.872	S	S	*	*			trans	-141.8	120.9	154.1	-88.5	-167.1	142.8	0	0	110.8
6	E	33.4	Very low	31.9	Very low	174 Å²	174	158.8 Å²	158.8	81%	0.813	87%	0.869	S	S	*	*			trans	-75.1	150.4	165.9	-67.2	170.6	123.2	0	0	110.9
7	K	33.9	Very low	31.7	Very low	214 Å²	214	155.8 Å²	155.8	93%	0.93	87%	0.87	S	S	*	*			trans	-141.9	112.8	144.3	-87.1	-168.2	178.2	172.9	0	111
8	Q	30.9	Very low	31.8	Very low	182 Å²	182	153.1 Å²	153.1	85%	0.85	87%	0.871	S	S	*	*			trans	-89.4	158.6	160.9	-75.1	179.4	1.3	0	0	110.6
9	G	27.9	Very low	31.7	Very low	85 Å²	85	150.5 Å²	150.5	88%	0.876	87%	0.871	S	S	*	*			trans	107.9	113.8	136.2	0	0	0	0	0	116.6
10	G	28.4	Very low	31.8	Very low	82 Å²	82	148.2 Å²	148.2	85%	0.845	87%	0.87	S	S	*	*			trans	177.4	75.9	169	0	0	0	0	0	112.4
11	T	32	Very low	31.8	Very low	134 Å²	134	145.1 Å²	145.1	82%	0.822	87%	0.87	S	S	*	*			trans	-69	141.1	164.1	41.8	0	0	0	0	110.7
12	N	34.8	Very low	31.5	Very low	171 Å²	171	137.5 Å²	137.5	91%	0.914	85%	0.853	S	S	*	*			trans	-144.6	121.6	154.1	-96	-10.2	0	0	0	109.1
13	E	33.9	Very low	31.3	Very low	189 Å²	189	134.6 Å²	134.6	88%	0.883	86%	0.863	S	S	*	*			trans	-77.9	144.7	161.1	-66.6	174.4	143.1	0	0	108.9
14	E	33.6	Very low	31.2	Very low	194 Å²	194	131 Å²	131	91%	0.907	87%	0.868	S	S	*	*			trans	-160.8	151.5	141	-122.1	177.4	-169.9	0	0	111.8
15	E	31.1	Very low	31	Very low	195 Å²	195	130.5 Å²	130.5	91%	0.911	87%	0.873	S	S	*	*			trans	-76.1	167	-160.4	-57.5	171.7	127.5	0	0	115.5
16	G	30.3	Very low	30.7	Very low	79 Å²	79	125.4 Å²	125.4	81%	0.814	87%	0.873	S	S	*	*			trans	177.1	94.3	162.9	0	0	0	0	0	114.5
17	A	29.6	Very low	30.3	Very low	108 Å²	108	121 Å²	121	89%	0.893	87%	0.874	S	S	*	*			trans	-68.4	151.9	-178.8	0	0	0	0	0	115.4
18	A	32.3	Very low	29.9	Very low	107 Å²	107	114.9 Å²	114.9	88%	0.884	87%	0.872	S	S	*	*			trans	-154.7	123.1	147.1	0	0	0	0	0	110.9
19	A	31.3	Very low	29.8	Very low	105 Å²	105	110.3 Å²	110.3	87%	0.868	87%	0.874	S	S	*	*			trans	-102.7	146.7	175.6	0	0	0	0	0	110.7
20	A	33.9	Very low	29.7	Very low	103 Å²	103	109.7 Å²	109.7	85%	0.851	87%	0.867	S	S	*	*			trans	-155.8	114.3	154.1	0	0	0	0	0	110.3
21	G	30.2	Very low	29.8	Very low	84 Å²	84	118.2 Å²	118.2	87%	0.866	87%	0.874	S	S	*	*			trans	-77.9	177.7	155.1	0	0	0	0	0	109.9
22	G	27.9	Very low	29.6	Very low	79 Å²	79	120.1 Å²	120.1	81%	0.814	87%	0.874	S	S	*	*			cis	152	138.9	9.7	0	0	0	0	0	107.8
23	G	28	Very low	29.3	Very low	90 Å²	90	119.8 Å²	119.8	93%	0.928	87%	0.871	S	S	*	*			trans	75.4	147.5	166.4	0	0	0	0	0	116.6
24	G	26.8	Very low	29	Very low	83 Å²	83	114.7 Å²	114.7	86%	0.856	87%	0.869	S	S	*	*			cis	150.7	146.4	5.6	0	0	0	0	0	109.5
25	G	26.8	Very low	28.8	Very low	85 Å²	85	114.4 Å²	114.4	88%	0.876	87%	0.868	S	S	*	*			trans	104.4	119.8	142	0	0	0	0	0	121.2
26	G	26.8	Very low	28.7	Very low	90 Å²	90	114.8 Å²	114.8	93%	0.928	87%	0.866	S	S	*	*			trans	78	140	136	0	0	0	0	0	118.2
27	G	25.9	Very low	28.6	Very low	82 Å²	82	116.7 Å²	116.7	85%	0.845	87%	0.867	S	S	*	*			cis	139.1	134.8	9.9	0	0	0	0	0	110.1
28	G	26.4	Very low	28.5	Very low	86 Å²	86	115.3 Å²	115.3	89%	0.887	86%	0.863	S	S	*	*			trans	108	124.2	138.9	0	0	0	0	0	121.1
29	G	27.6	Very low	28.4	Very low	86 Å²	86	116.6 Å²	116.6	89%	0.887	86%	0.86	S	S	*	*			trans	97	125.2	141.9	0	0	0	0	0	115.9
30	G	26.7	Very low	28.3	Very low	71 Å²	71	119.8 Å²	119.8	73%	0.732	85%	0.854	S	S	*	*			cis	132.3	129.4	15.7	0	0	0	0	0	108.5
31	R	30.3	Very low	28.1	Very low	261 Å²	261	124.9 Å²	124.9	99%	0.985	85%	0.851	S	S	*	*			trans	-177.2	130.7	145.9	-103	167	-167.8	-162.6	3.6	111.1
32	E	27.6	Very low	28	Very low	175 Å²	175	131.4 Å²	131.4	82%	0.818	85%	0.85	S	S	*	*			trans	-122.8	162	-178.2	-163.1	-179.2	-155.9	0	0	108.2
33	L	28.5	Very low	28.1	Very low	164 Å²	164	138.6 Å²	138.6	86%	0.859	85%	0.852	S	S	*	*			trans	116.3	118.6	154	-62.6	169.2	0	0	0	117.6
34	G	28.5	Very low	28.3	Very low	81 Å²	81	142.1 Å²	142.1	84%	0.835	84%	0.844	S	S	*	*			trans	168.4	71	161.9	0	0	0	0	0	114
35	Q	27.8	Very low	28.6	Very low	189 Å²	189	145.8 Å²	145.8	88%	0.883	84%	0.84	S	S	*	*			trans	-64.4	149.5	172.7	-75.9	173.7	-3.1	0	0	113.3
36	K	30.5	Very low	28.9	Very low	202 Å²	202	151.3 Å²	151.3	88%	0.878	84%	0.843	S	S	*	*			trans	-164	106.7	134	-106.6	171.6	-172.1	-176.6	0	113.5
37	S	27.7	Very low	29.1	Very low	120 Å²	120	155.7 Å²	155.7	84%	0.839	84%	0.839	S	S	*	*			trans	26.3	127	137.6	61.9	0	0	0	0	122.4
38	G	28.1	Very low	29.3	Very low	78 Å²	78	159.8 Å²	159.8	80%	0.804	84%	0.841	S	S	*	*			trans	165.9	110.9	150.1	0	0	0	0	0	112.8
39	V	29.8	Very low	29.5	Very low	135 Å²	135	164.3 Å²	164.3	82%	0.818	84%	0.839	S	S	*	*			trans	-121.7	146.5	179.7	162.8	0	0	0	0	110.6
40	K	28.8	Very low	29.7	Very low	172 Å²	172	168.8 Å²	168.8	75%	0.748	84%	0.837	S	S	*	*			trans	83.9	128.4	167.9	-83.3	170.2	174.7	171.8	0	115.3
41	R	29.5	Very low	29.8	Very low	210 Å²	210	174 Å²	174	79%	0.792	84%	0.842	S	S	*	*			cis	-161.7	136.9	20.8	-107.6	163.6	-176.9	160.5	-3.2	112.1
42	R	28.7	Very low	29.8	Very low	221 Å²	221	167.8 Å²	167.8	83%	0.834	83%	0.834	S	S	*	*			trans	48.4	102.5	136.7	-126.6	178.1	-178.2	173.4	1	120	E44	R42-E44 IonicContact NE-OE1 3.9Å; R42-E44 IonicContact NH2-OE1 3.85Å
43	R	29.9	Very low	29.9	Very low	229 Å²	229	164 Å²	164	86%	0.864	83%	0.827	S	S	*	*			trans	-137.4	126.1	141.6	-124	-180	-176.7	-179.6	-1	106.6
44	E	32.8	Very low	30.2	Very low	164 Å²	164	161.6 Å²	161.6	77%	0.766	82%	0.821	S	S	*	*			trans	-76.4	116.7	175.5	-73.9	158.2	-176.7	0	0	107.1	R42	R42-E44 IonicContact NE-OE1 3.9Å; R42-E44 IonicContact NH2-OE1 3.85Å
45	E	31.5	Very low	30.4	Very low	161 Å²	161	163.7 Å²	163.7	75%	0.752	82%	0.818	S	S	*	*			trans	-125.5	126.3	167	-75.9	178.2	-176.5	0	0	106.1	E47	E45-E47 PolarHBondContact O-N 2.84Å
46	E	33.8	Very low	30.8	Very low	201 Å²	201	164.4 Å²	164.4	94%	0.939	82%	0.818	S	S	*	*			trans	-65.8	115.5	179.9	-66.2	168.6	153	0	0	108.8
47	E	30.3	Very low	31	Very low	181 Å²	181	163.6 Å²	163.6	85%	0.846	81%	0.814	S	S	*	*			trans	-97.3	116	165.2	-74.1	-177.7	170	0	0	107.5	E45 E49	E45-E47 PolarHBondContact O-N 2.84Å; E47-E49 PolarHBondContact O-N 3.37Å
48	D	30.7	Very low	31.5	Very low	168 Å²	168	166.1 Å²	166.1	90%	0.898	82%	0.818	S	S	*	*			trans	-55.5	98.9	166.3	-82.6	-47.5	0	0	0	108.8	E50	D48-E50 PolarHBondContact O-N 3.01Å; D48-E50 VanDerWaalsContact O-N 3.11Å
49	E	30.1	Very low	32.4	Very low	181 Å²	181	168.4 Å²	168.4	85%	0.846	82%	0.816	S	S	*	*			trans	-66.3	105.5	162.4	-73.4	-173.6	161.8	0	0	107.5	E47 E51	E47-E49 PolarHBondContact O-N 3.37Å; E49-E51 PolarHBondContact O-N 3.27Å
50	E	32.1	Very low	33.7	Very low	180 Å²	180	164.5 Å²	164.5	84%	0.841	79%	0.794	S	S	*	*			trans	-55.6	94.5	160	-83.4	-169.1	155.1	0	0	108.2	D48 T52	D48-E50 PolarHBondContact O-N 3.01Å; D48-E50 VanDerWaalsContact O-N 3.11Å; E50-T52 VanDerWaalsContact C-N 3.28Å; E50-T52 PolarHBondContact O-N 3.27Å
51	E	29.7	Very low	36.2	Very low	180 Å²	180	158.2 Å²	158.2	84%	0.841	77%	0.769	S	S	*	*			trans	-58.6	96.5	163.6	-88.7	-157.3	156	0	0	108.1	E49 S53	E49-E51 PolarHBondContact O-N 3.27Å; E51-S53 PolarHBondContact O-N 3.27Å
52	T	30.4	Very low	39	Very low	132 Å²	132	148.6 Å²	148.6	81%	0.81	73%	0.733	S	S	*	*			trans	-61.8	91.6	160	43.1	0	0	0	0	107.8	E50	E50-T52 VanDerWaalsContact C-N 3.28Å; E50-T52 PolarHBondContact O-N 3.27Å
53	S	28.7	Very low	41.6	Very low	96 Å²	96	138.4 Å²	138.4	67%	0.671	70%	0.697	S	S	*	*			trans	-56.6	131.5	-178.8	89.6	0	0	0	0	110	E51 T55	E51-S53 PolarHBondContact O-N 3.27Å; S53-T55 PolarHBondContact O-N 3.44Å
54	P	34.8	Very low	44.4	Very low	113 Å²	113	133.2 Å²	133.2	73%	0.734	68%	0.682	S	S	*	*			trans	-78.3	126	-177.1	30.6	-33.1	0	0	0	110.6
55	T	33.7	Very low	47	Very low	125 Å²	125	130.1 Å²	130.1	77%	0.767	67%	0.666	S	S	*	*			trans	65.2	88.2	156.6	-5.8	0	0	0	0	116	S53 K57	S53-T55 PolarHBondContact O-N 3.44Å; T55-K57 VanDerWaalsContact C-N 3.29Å; T55-K57 PolarHBondContact O-N 2.73Å
56	K	35.7	Very low	49.6	Very low	203 Å²	203	122.8 Å²	122.8	88%	0.883	63%	0.633	S	S	*	*			trans	-55.5	101.3	145.8	-82.5	179.3	178.7	174.8	0	106.6	L58	K56-L58 PolarHBondContact O-N 2.92Å
57	K	35	Very low	52.2	Low	185 Å²	185	113.8 Å²	113.8	80%	0.804	59%	0.593	S	S	*	*			trans	-49.3	113.9	159.8	-84.2	176.5	172.4	173.1	0	105.5	T55 V59	T55-K57 VanDerWaalsContact C-N 3.29Å; T55-K57 PolarHBondContact O-N 2.73Å; K57-V59 PolarHBondContact O-N 2.96Å
58	L	38.6	Very low	54.9	Low	174 Å²	174	108.5 Å²	108.5	91%	0.911	58%	0.576	S	S	*	*			trans	-59.7	88.8	169.5	-81.8	150.3	0	0	0	106.7	K56 S60	K56-L58 PolarHBondContact O-N 2.92Å; L58-S60 VanDerWaalsContact C-N 3.33Å; L58-S60 PolarHBondContact O-N 2.84Å
59	V	45.5	Very low	57.6	Low	126 Å²	126	102.1 Å²	102.1	76%	0.764	54%	0.54	S	S	*	.			trans	-69.3	101.1	168.7	-176.4	0	0	0	0	104.5	K57 D61	K57-V59 PolarHBondContact O-N 2.96Å; V59-D61 PolarHBondContact O-N 3.14Å
60	S	57.5	Low	60.1	Low	53 Å²	53	96 Å²	96	37%	0.371	51%	0.51	S	S	.	.			trans	-47.2	125.5	174	155.3	0	0	0	0	109.3	L58 K65	L58-S60 VanDerWaalsContact C-N 3.33Å; L58-S60 PolarHBondContact O-N 2.84Å; S60-K65 VanDerWaalsContact OG-CE 3.29Å; S60-K65 WeakPolarHBondContact OG-CE 3.42Å
61	D	82.1	Confident	62.7	Low	39 Å²	39	90.2 Å²	90.2	21%	0.209	49%	0.485	C	S	.	.			trans	-61	136.5	-176.9	167.6	73.1	0	0	0	110	V59 G63 E64 K65 K182 K214	V59-D61 PolarHBondContact O-N 3.14Å; D61-G63 PolarHBondContact O-N 3.22Å; D61-G63 PolarHBondContact OD2-N 2.69Å; D61-E64 HydrophobicContact CB-CG 4.12Å; D61-E64 WeakPolarHBondContact O-CB 3.39Å; D61-E64 PolarHBondContact O-N 3.39Å; D61-E64 VanDerWaalsContact O-N 3.13Å; D61-E64 PolarHBondContact OD2-N 3.16Å; D61-K65 PolarHBondContact O-N 3.48Å; D61-K182 VanDerWaalsContact OD1-CE 3.3Å; D61-K182 WeakPolarHBondContact OD1-CE 3.5Å; D61-K182 IonicContact OD1-NZ 3.01Å; D61-K182 PolarHBondContact OD1-NZ 3.23Å; D61-K182 IonicContact OD2-NZ 2.63Å; D61-K182 PolarHBondContact OD2-NZ 3.45Å; D61-K214 IonicContact OD1-NZ 3.26Å; D61-K214 PolarHBondContact OD1-NZ 3.06Å
62	H	86.4	Confident	65.3	Low	9 Å²	9	86.2 Å²	86.2	4%	0.042	47%	0.473	C	S	.	.	H	α-helix	trans	-57.2	-39	-176.4	173.9	88.4	0	0	0	112.5	E64 K65 V66 Y207 E210 P287 F289	H62-E64 VanDerWaalsContact C-N 3.3Å; H62-E64 PolarHBondContact O-N 2.82Å; H62-K65 WeakPolarHBondContact O-CB 3.35Å; H62-K65 PolarHBondContact O-N 3.27Å; H62-K65 VanDerWaalsContact O-N 3.12Å; H62-V66 WeakPolarHBondContact NE2-CG2 3.43Å; H62-V66 WeakPolarHBondContact O-CG2 3.29Å; H62-V66 PolarHBondContact O-N 3.2Å; H62-Y207 AromaticContact NE2-CD1 3.86Å; H62-E210 VanDerWaalsContact CB-OE2 3.29Å; H62-E210 WeakPolarHBondContact CB-OE2 3.36Å; H62-E210 IonicContact CG-OE2 3.89Å; H62-P287 PolarHBondContact CE1-O 3.49Å; H62-F289 HydrophobicContact CB-CZ 4.5Å; H62-F289 AromaticContact CD2-CE2 3.58Å; H62-F289 AromaticContact CE1-CE2 3.26Å; H62-F289 WeakPolarHBondContact CE1-CE2 3.46Å; H62-F289 AromaticContact CE1-CZ 3.8Å; H62-F289 AromaticContact CG-CE2 3.65Å; H62-F289 AromaticContact CG-CZ 3.92Å; H62-F289 AromaticContact ND1-CE2 3.47Å; H62-F289 WeakPolarHBondContact ND1-CE2 3.33Å; H62-F289 AromaticContact ND1-CZ 3.6Å; H62-F289 AromaticContact NE2-CE2 3.35Å; H62-F289 VanDerWaalsContact NE2-CE2 3.35Å; H62-F289 WeakPolarHBondContact NE2-CE2 3.38Å
63	G	84.4	Confident	67.6	Low	7 Å²	7	82.4 Å²	82.4	7%	0.072	45%	0.447	C	S	.	.	H	α-helix	trans	-58.6	-42.3	178	0	0	0	0	0	111.9	D61 K65 V66 A67 I145	D61-G63 PolarHBondContact O-N 3.22Å; D61-G63 PolarHBondContact OD2-N 2.69Å; G63-K65 VanDerWaalsContact C-N 3.33Å; G63-K65 PolarHBondContact O-N 2.78Å; G63-V66 PolarHBondContact O-N 3.17Å; G63-A67 WeakPolarHBondContact O-CB 3.42Å; G63-A67 PolarHBondContact O-N 3.26Å; G63-I145 WeakPolarHBondContact O-CD1 3.42Å
64	E	87.9	Confident	69.8	Low	119 Å²	119	85.6 Å²	85.6	56%	0.556	45%	0.451	S	S	*	.	H	α-helix	trans	-61.4	-39.4	175.8	-63	174.2	168.6	0	0	112.4	D61 H62 A67 S68	D61-E64 HydrophobicContact CB-CG 4.12Å; D61-E64 WeakPolarHBondContact O-CB 3.39Å; D61-E64 PolarHBondContact O-N 3.39Å; D61-E64 VanDerWaalsContact O-N 3.13Å; D61-E64 PolarHBondContact OD2-N 3.16Å; H62-E64 VanDerWaalsContact C-N 3.3Å; H62-E64 PolarHBondContact O-N 2.82Å; E64-A67 PolarHBondContact O-N 2.91Å; E64-S68 WeakPolarHBondContact O-CB 3.4Å; E64-S68 PolarHBondContact O-N 3.39Å
65	K	88.8	Confident	71.5	Confident	99 Å²	99	84.4 Å²	84.4	43%	0.43	44%	0.436	S	S	.	.	H	α-helix	trans	-65.2	-43.3	177	-66.1	176.8	-175.4	162.8	0	111.7	S60 D61 H62 G63 H69	S60-K65 VanDerWaalsContact OG-CE 3.29Å; S60-K65 WeakPolarHBondContact OG-CE 3.42Å; D61-K65 PolarHBondContact O-N 3.48Å; H62-K65 WeakPolarHBondContact O-CB 3.35Å; H62-K65 PolarHBondContact O-N 3.27Å; H62-K65 VanDerWaalsContact O-N 3.12Å; G63-K65 VanDerWaalsContact C-N 3.33Å; G63-K65 PolarHBondContact O-N 2.78Å; K65-H69 WeakPolarHBondContact O-CB 3.13Å; K65-H69 PolarHBondContact O-N 3.44Å
66	V	86.1	Confident	73.4	Confident	8 Å²	8	81.8 Å²	81.8	5%	0.048	42%	0.419	C	S	.	.	H	α-helix	trans	-63.9	-48.7	176.6	175.3	0	0	0	0	110.2	H62 G63 S68 H69 Y70 Y207	H62-V66 WeakPolarHBondContact NE2-CG2 3.43Å; H62-V66 WeakPolarHBondContact O-CG2 3.29Å; H62-V66 PolarHBondContact O-N 3.2Å; G63-V66 PolarHBondContact O-N 3.17Å; V66-S68 PolarHBondContact O-N 3.36Å; V66-H69 PolarHBondContact O-N 3.23Å; V66-Y70 HydrophobicContact CG1-CD2 3.81Å; V66-Y70 HydrophobicContact CG1-CE2 3.79Å; V66-Y70 VanDerWaalsContact O-CD2 3.29Å; V66-Y70 WeakPolarHBondContact O-CD2 3.41Å; V66-Y70 PolarHBondContact O-N 3.29Å; V66-Y70 VanDerWaalsContact O-N 3.09Å; V66-Y207 HydrophobicContact CG1-CD1 4.41Å; V66-Y207 HydrophobicContact CG1-CE1 4.41Å; V66-Y207 HydrophobicContact CG2-CD1 3.91Å; V66-Y207 HydrophobicContact CG2-CE1 4.2Å
67	A	87.3	Confident	75.4	Confident	12 Å²	12	73.6 Å²	73.6	10%	0.099	39%	0.393	C	S	.	.	H	α-helix	trans	-59.7	-46.5	178.1	0	0	0	0	0	111.9	G63 E64 H69 Y70 N71 I145 A146	G63-A67 WeakPolarHBondContact O-CB 3.42Å; G63-A67 PolarHBondContact O-N 3.26Å; E64-A67 PolarHBondContact O-N 2.91Å; A67-H69 PolarHBondContact O-N 2.95Å; A67-Y70 PolarHBondContact O-N 3.32Å; A67-N71 VanDerWaalsContact O-CB 3.32Å; A67-N71 WeakPolarHBondContact O-CB 3.15Å; A67-N71 PolarHBondContact O-N 2.95Å; A67-N71 PolarHBondContact O-ND2 2.95Å; A67-I145 HydrophobicContact CB-CD1 4.49Å; A67-I145 HydrophobicContact CB-CG1 4.12Å; A67-I145 HydrophobicContact CB-CG2 4.06Å; A67-A146 HydrophobicContact CB-CB 4.48Å
68	S	88.4	Confident	77.4	Confident	70 Å²	70	71.6 Å²	71.6	49%	0.49	39%	0.39	S	S	.	.	H	α-helix	trans	-58.4	-47.2	176.9	-177.6	0	0	0	0	111.4	E64 V66 Y70 N71 T72	E64-S68 WeakPolarHBondContact O-CB 3.4Å; E64-S68 PolarHBondContact O-N 3.39Å; V66-S68 PolarHBondContact O-N 3.36Å; S68-Y70 PolarHBondContact O-N 3.2Å; S68-N71 PolarHBondContact O-N 3.01Å; S68-T72 VanDerWaalsContact O-CG2 3.27Å; S68-T72 WeakPolarHBondContact O-CG2 3.43Å; S68-T72 PolarHBondContact O-N 2.88Å; S68-T72 PolarHBondContact O-OG1 3.31Å
69	H	86.6	Confident	79.3	Confident	33 Å²	33	68.2 Å²	68.2	15%	0.153	38%	0.377	C	S	.	.	H	α-helix	trans	-55.7	-53.7	176.5	177.7	77.4	0	0	0	111.8	K65 V66 A67 N71 T72 L73 V284 N285 V286	K65-H69 WeakPolarHBondContact O-CB 3.13Å; K65-H69 PolarHBondContact O-N 3.44Å; V66-H69 PolarHBondContact O-N 3.23Å; A67-H69 PolarHBondContact O-N 2.95Å; H69-N71 VanDerWaalsContact C-N 3.33Å; H69-N71 PolarHBondContact O-N 3.28Å; H69-T72 PolarHBondContact O-N 2.78Å; H69-T72 VanDerWaalsContact O-N 3.13Å; H69-T72 PolarHBondContact O-OG1 3.29Å; H69-L73 PolarHBondContact O-N 3.07Å; H69-V284 WeakPolarHBondContact NE2-CA 3.35Å; H69-N285 PolarHBondContact CE1-N 3.38Å; H69-N285 VanDerWaalsContact CE1-N 3.27Å; H69-N285 PolarHBondContact NE2-N 2.95Å; H69-V286 HydrophobicContact CB-CG1 3.47Å; H69-V286 VanDerWaalsContact CB-CG1 3.47Å; H69-V286 WeakPolarHBondContact CD2-CG1 3.44Å
70	Y	83.3	Confident	80.9	Confident	54 Å²	54	65.8 Å²	65.8	21%	0.212	36%	0.362	C	S	.	.	H	α-helix	trans	-66.5	-33	-178	-77.5	-70.3	0	0	0	113.6	V66 A67 S68 T72 L73 Y207	V66-Y70 HydrophobicContact CG1-CD2 3.81Å; V66-Y70 HydrophobicContact CG1-CE2 3.79Å; V66-Y70 VanDerWaalsContact O-CD2 3.29Å; V66-Y70 WeakPolarHBondContact O-CD2 3.41Å; V66-Y70 PolarHBondContact O-N 3.29Å; V66-Y70 VanDerWaalsContact O-N 3.09Å; A67-Y70 PolarHBondContact O-N 3.32Å; S68-Y70 PolarHBondContact O-N 3.2Å; Y70-T72 VanDerWaalsContact C-N 3.32Å; Y70-T72 PolarHBondContact O-N 2.63Å; Y70-L73 HydrophobicContact CD1-CD1 3.91Å; Y70-L73 HydrophobicContact CE1-CD1 4.3Å; Y70-L73 PolarHBondContact O-N 3.17Å; Y70-Y207 PolarHBondContact OH-OH 3.08Å; Y70-Y207 VanDerWaalsContact OH-OH 3.13Å
71	N	86.1	Confident	81.9	Confident	58 Å²	58	66.4 Å²	66.4	31%	0.31	36%	0.356	S	S	.	.	H	α-helix	trans	-65.4	-32.9	173.5	-74	-15	0	0	0	112.4	A67 S68 H69 A146 V148	A67-N71 VanDerWaalsContact O-CB 3.32Å; A67-N71 WeakPolarHBondContact O-CB 3.15Å; A67-N71 PolarHBondContact O-N 2.95Å; A67-N71 PolarHBondContact O-ND2 2.95Å; S68-N71 PolarHBondContact O-N 3.01Å; H69-N71 VanDerWaalsContact C-N 3.33Å; H69-N71 PolarHBondContact O-N 3.28Å; N71-A146 WeakPolarHBondContact OD1-CB 3.38Å; N71-V148 HydrophobicContact CB-CB 4.23Å; N71-V148 HydrophobicContact CB-CG2 4.04Å; N71-V148 VanDerWaalsContact OD1-CB 3.25Å; N71-V148 WeakPolarHBondContact OD1-CB 3.49Å; N71-V148 PolarHBondContact OD1-N 2.81Å
72	T	83.4	Confident	81.8	Confident	96 Å²	96	67.5 Å²	67.5	59%	0.589	37%	0.367	S	S	*	.	H	α-helix	trans	-80.1	-22	179.8	62.5	0	0	0	0	114.1	S68 H69 Y70 Q74	S68-T72 VanDerWaalsContact O-CG2 3.27Å; S68-T72 WeakPolarHBondContact O-CG2 3.43Å; S68-T72 PolarHBondContact O-N 2.88Å; S68-T72 PolarHBondContact O-OG1 3.31Å; H69-T72 PolarHBondContact O-N 2.78Å; H69-T72 VanDerWaalsContact O-N 3.13Å; H69-T72 PolarHBondContact O-OG1 3.29Å; Y70-T72 VanDerWaalsContact C-N 3.32Å; Y70-T72 PolarHBondContact O-N 2.63Å; T72-Q74 PolarHBondContact O-N 3.37Å
73	L	79.8	Confident	81.7	Confident	51 Å²	51	74.1 Å²	74.1	27%	0.267	40%	0.398	S	S	.	.	S	Bend	trans	-64.7	121.2	178.5	-71.2	174.8	0	0	0	109.8	H69 Y70 K125 V283	H69-L73 PolarHBondContact O-N 3.07Å; Y70-L73 HydrophobicContact CD1-CD1 3.91Å; Y70-L73 HydrophobicContact CE1-CD1 4.3Å; Y70-L73 PolarHBondContact O-N 3.17Å; L73-K125 PolarHBondContact O-NZ 3.4Å; L73-V283 VanDerWaalsContact CD1-O 3.28Å; L73-V283 WeakPolarHBondContact CD1-O 3.37Å
74	Q	73.7	Confident	81.8	Confident	163 Å²	163	75.1 Å²	75.1	76%	0.762	40%	0.403	S	S	*	.			trans	-75.5	146	176	-70	-175.7	-13	0	0	111.9	T72 V76	T72-Q74 PolarHBondContact O-N 3.37Å; Q74-V76 HydrophobicContact CB-CG1 4.32Å; Q74-V76 PolarHBondContact O-N 3.38Å
75	E	71.1	Confident	81.9	Confident	88 Å²	88	71.2 Å²	71.2	41%	0.411	38%	0.383	S	S	.	.			trans	-83	104.9	166.3	175.5	142.3	-130.4	0	0	110	R81	E75-R81 IonicContact OE1-CZ 3.34Å; E75-R81 IonicContact OE1-NH1 2.83Å; E75-R81 PolarHBondContact OE1-NH1 3.49Å; E75-R81 VanDerWaalsContact OE1-NH1 3.08Å; E75-R81 IonicContact OE1-NH2 2.74Å; E75-R81 PolarHBondContact OE1-NH2 2.97Å
76	V	74.6	Confident	82.1	Confident	70 Å²	70	66.5 Å²	66.5	42%	0.424	36%	0.363	S	S	.	.			trans	-92.5	9	-175.2	-61.7	0	0	0	0	114.1	Q74 V80 R81	Q74-V76 HydrophobicContact CB-CG1 4.32Å; Q74-V76 PolarHBondContact O-N 3.38Å; V76-V80 HydrophobicContact CB-CB 3.83Å; V76-V80 HydrophobicContact CB-CG1 3.83Å; V76-V80 HydrophobicContact CB-CG2 4.26Å; V76-V80 HydrophobicContact CG2-CB 3.84Å; V76-V80 HydrophobicContact CG2-CG1 3.75Å; V76-V80 VanDerWaalsContact O-CB 3.28Å; V76-V80 WeakPolarHBondContact O-CB 3.5Å; V76-V80 WeakPolarHBondContact O-CG2 3.36Å; V76-R81 HydrophobicContact CG2-CG 4.25Å
77	G	76.9	Confident	82.5	Confident	31 Å²	31	67.8 Å²	67.8	32%	0.32	37%	0.368	S	S	.	.	H	α-helix	trans	72	-179.9	180	0	0	0	0	0	114.9	R81	G77-R81 WeakPolarHBondContact O-CB 3.44Å; G77-R81 WeakPolarHBondContact O-CD 3.42Å; G77-R81 WeakPolarHBondContact O-CG 3.39Å; G77-R81 PolarHBondContact O-N 2.84Å
78	L	77.7	Confident	82.9	Confident	143 Å²	143	69.1 Å²	69.1	75%	0.749	37%	0.371	S	S	*	.	H	α-helix	trans	-74.1	-37.6	-176.3	-70.5	174.6	0	0	0	113.2	R81 S82	L78-R81 PolarHBondContact O-N 3.37Å; L78-S82 PolarHBondContact O-N 3.12Å; L78-S82 PolarHBondContact O-OG 2.63Å
79	V	76.7	Confident	83.2	Confident	104 Å²	104	66 Å²	66	63%	0.63	35%	0.349	S	S	*	.	H	α-helix	trans	-64.5	-48.6	-176.6	177.7	0	0	0	0	111.1	R81 S82 Q83	V79-R81 VanDerWaalsContact C-N 3.31Å; V79-R81 PolarHBondContact O-N 3.15Å; V79-S82 PolarHBondContact O-N 3Å; V79-S82 PolarHBondContact O-OG 2.93Å; V79-Q83 PolarHBondContact O-N 2.82Å
80	V	79.2	Confident	83.6	Confident	74 Å²	74	67.4 Å²	67.4	45%	0.448	35%	0.352	S	S	.	.	H	α-helix	trans	-65.8	-37.1	177	-176.5	0	0	0	0	110.8	V76 S82 Q83	V76-V80 HydrophobicContact CB-CB 3.83Å; V76-V80 HydrophobicContact CB-CG1 3.83Å; V76-V80 HydrophobicContact CB-CG2 4.26Å; V76-V80 HydrophobicContact CG2-CB 3.84Å; V76-V80 HydrophobicContact CG2-CG1 3.75Å; V76-V80 VanDerWaalsContact O-CB 3.28Å; V76-V80 WeakPolarHBondContact O-CB 3.5Å; V76-V80 WeakPolarHBondContact O-CG2 3.36Å; V80-S82 VanDerWaalsContact C-N 3.29Å; V80-S82 PolarHBondContact O-N 3.34Å; V80-Q83 PolarHBondContact O-N 3.2Å; V80-Q83 VanDerWaalsContact O-N 3.11Å
81	R	78.8	Confident	84.3	Confident	67 Å²	67	66.1 Å²	66.1	25%	0.253	35%	0.349	S	S	.	.	H	α-helix	trans	-61.9	-34.9	174.5	-77.1	175.2	-177.9	139.1	0.5	112.6	E75 V76 G77 L78 V79 Q83 S84	E75-R81 IonicContact OE1-CZ 3.34Å; E75-R81 IonicContact OE1-NH1 2.83Å; E75-R81 PolarHBondContact OE1-NH1 3.49Å; E75-R81 VanDerWaalsContact OE1-NH1 3.08Å; E75-R81 IonicContact OE1-NH2 2.74Å; E75-R81 PolarHBondContact OE1-NH2 2.97Å; V76-R81 HydrophobicContact CG2-CG 4.25Å; G77-R81 WeakPolarHBondContact O-CB 3.44Å; G77-R81 WeakPolarHBondContact O-CD 3.42Å; G77-R81 WeakPolarHBondContact O-CG 3.39Å; G77-R81 PolarHBondContact O-N 2.84Å; L78-R81 PolarHBondContact O-N 3.37Å; V79-R81 VanDerWaalsContact C-N 3.31Å; V79-R81 PolarHBondContact O-N 3.15Å; R81-Q83 PolarHBondContact O-N 3.44Å; R81-S84 VanDerWaalsContact O-CB 3.32Å; R81-S84 WeakPolarHBondContact O-CB 3.34Å; R81-S84 PolarHBondContact O-N 3.01Å
82	S	80.6	Confident	84.8	Confident	62 Å²	62	63.3 Å²	63.3	43%	0.434	33%	0.334	S	S	.	.	H	α-helix	trans	-69.1	-15.8	175.7	55.6	0	0	0	0	114.5	L78 V79 V80	L78-S82 PolarHBondContact O-N 3.12Å; L78-S82 PolarHBondContact O-OG 2.63Å; V79-S82 PolarHBondContact O-N 3Å; V79-S82 PolarHBondContact O-OG 2.93Å; V80-S82 VanDerWaalsContact C-N 3.29Å; V80-S82 PolarHBondContact O-N 3.34Å
83	Q	83.6	Confident	85.5	Confident	148 Å²	148	59.8 Å²	59.8	69%	0.692	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	2.3	176.8	-63.9	172.1	-12.4	0	0	112.6	V79 V80 R81	V79-Q83 PolarHBondContact O-N 2.82Å; V80-Q83 PolarHBondContact O-N 3.2Å; V80-Q83 VanDerWaalsContact O-N 3.11Å; R81-Q83 PolarHBondContact O-N 3.44Å
84	S	87.1	Confident	86.4	Confident	28 Å²	28	59.8 Å²	59.8	20%	0.196	31%	0.312	C	S	.	.	S	Bend	trans	-75	139.4	-178.8	-178.4	0	0	0	0	111.7	R81 I86 F87	R81-S84 VanDerWaalsContact O-CB 3.32Å; R81-S84 WeakPolarHBondContact O-CB 3.34Å; R81-S84 PolarHBondContact O-N 3.01Å; S84-I86 PolarHBondContact O-N 2.9Å; S84-I86 VanDerWaalsContact OG-CG1 3.31Å; S84-I86 WeakPolarHBondContact OG-CG1 3.36Å; S84-F87 VanDerWaalsContact O-CB 3.28Å; S84-F87 WeakPolarHBondContact O-CB 3.31Å; S84-F87 PolarHBondContact O-N 2.97Å
85	R	90.8	Very high	87.5	Confident	36 Å²	36	52 Å²	52	14%	0.136	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-28	172.8	173.3	58	-172.5	93.5	-1.3	114	E257 V258 E281 A348 S375 E378	R85-E257 IonicContact CZ-OE1 3.97Å; R85-E257 IonicContact NH2-OE1 2.96Å; R85-E257 PolarHBondContact NH2-OE1 3.1Å; R85-V258 HydrophobicContact CG-CG1 4.06Å; R85-E281 WeakPolarHBondContact CB-OE1 3.47Å; R85-E281 WeakPolarHBondContact CB-OE2 3.39Å; R85-E281 VanDerWaalsContact CG-OE2 3.23Å; R85-E281 WeakPolarHBondContact CG-OE2 3.48Å; R85-A348 WeakPolarHBondContact CD-O 3.5Å; R85-S375 PolarHBondContact NH1-OG 3.09Å; R85-S375 PolarHBondContact NH2-OG 3.45Å; R85-E378 IonicContact NH1-OE2 2.73Å
86	I	92.4	Very high	88.8	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109	24.8	-177.8	59	159.8	0	0	0	112.8	S84 Y88 M89 R90 V258 L280 E281 V283	S84-I86 PolarHBondContact O-N 2.9Å; S84-I86 VanDerWaalsContact OG-CG1 3.31Å; S84-I86 WeakPolarHBondContact OG-CG1 3.36Å; I86-Y88 PolarHBondContact O-N 3.09Å; I86-M89 HydrophobicContact CB-CB 4.38Å; I86-M89 HydrophobicContact CB-CE 3.78Å; I86-M89 HydrophobicContact CD1-CE 3.76Å; I86-M89 HydrophobicContact CG1-CE 4.38Å; I86-M89 HydrophobicContact CG2-CE 3.99Å; I86-M89 PolarHBondContact O-N 3.44Å; I86-R90 HydrophobicContact CD1-CG 4.05Å; I86-R90 VanDerWaalsContact CD1-NE 3.33Å; I86-R90 HydrophobicContact CG1-CG 4.29Å; I86-R90 WeakPolarHBondContact O-CG 3.44Å; I86-R90 PolarHBondContact O-N 2.81Å; I86-V258 HydrophobicContact CG2-CB 3.88Å; I86-V258 HydrophobicContact CG2-CG1 3.98Å; I86-L280 HydrophobicContact CD1-CG 4.36Å; I86-E281 WeakPolarHBondContact CD1-O 3.44Å; I86-V283 HydrophobicContact CD1-CG2 3.34Å
87	F	93.7	Very high	90	Very high	36 Å²	36	45.7 Å²	45.7	16%	0.158	24%	0.241	C	C	.	.	H	α-helix	trans	-53.4	-52	-178.8	169.2	-110.4	0	0	0	112.3	S84 R90 N91 M334	S84-F87 VanDerWaalsContact O-CB 3.28Å; S84-F87 WeakPolarHBondContact O-CB 3.31Å; S84-F87 PolarHBondContact O-N 2.97Å; F87-R90 PolarHBondContact O-N 3.31Å; F87-N91 WeakPolarHBondContact CE1-ND2 3.48Å; F87-N91 VanDerWaalsContact CE2-ND2 3.33Å; F87-N91 WeakPolarHBondContact CE2-ND2 3.48Å; F87-N91 WeakPolarHBondContact CZ-ND2 3.44Å; F87-N91 PolarHBondContact O-N 2.9Å; F87-M334 HydrophobicContact CE1-CB 4.46Å; F87-M334 HydrophobicContact CZ-CE 3.95Å
88	Y	95.6	Very high	91	Very high	40 Å²	40	45.3 Å²	45.3	16%	0.157	23%	0.234	C	C	.	.	H	α-helix	trans	-66.4	-42	-178.6	-64.4	-72.1	0	0	0	111.5	I86 R90 N91 F92 M334 E337 A348	I86-Y88 PolarHBondContact O-N 3.09Å; Y88-R90 VanDerWaalsContact C-N 3.35Å; Y88-R90 PolarHBondContact O-N 2.79Å; Y88-N91 CarbonylContact O-C 3.54Å; Y88-N91 WeakPolarHBondContact O-CB 3.28Å; Y88-N91 PolarHBondContact O-N 3.4Å; Y88-N91 VanDerWaalsContact O-N 3.11Å; Y88-F92 WeakPolarHBondContact O-CB 3.39Å; Y88-F92 PolarHBondContact O-N 2.87Å; Y88-M334 WeakPolarHBondContact CD1-O 3.21Å; Y88-E337 HydrophobicContact CD1-CB 3.97Å; Y88-E337 HydrophobicContact CD2-CB 3.63Å; Y88-E337 HydrophobicContact CD2-CG 3.95Å; Y88-E337 HydrophobicContact CE1-CB 4.03Å; Y88-E337 HydrophobicContact CE1-CG 4.38Å; Y88-E337 HydrophobicContact CE2-CB 3.67Å; Y88-E337 HydrophobicContact CE2-CG 3.51Å; Y88-E337 HydrophobicContact CG-CB 3.78Å; Y88-A348 HydrophobicContact CD2-CB 4.13Å; Y88-A348 HydrophobicContact CE2-CB 4.2Å
89	M	96.1	Very high	92	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.02	20%	0.199	C	C	.	.	H	α-helix	trans	-59.8	-39.6	173.2	-172.9	-168.6	76.4	0	0	113.1	I86 N91 F92 N93 L280 E378 A381	I86-M89 HydrophobicContact CB-CB 4.38Å; I86-M89 HydrophobicContact CB-CE 3.78Å; I86-M89 HydrophobicContact CD1-CE 3.76Å; I86-M89 HydrophobicContact CG1-CE 4.38Å; I86-M89 HydrophobicContact CG2-CE 3.99Å; I86-M89 PolarHBondContact O-N 3.44Å; M89-N91 VanDerWaalsContact C-N 3.32Å; M89-N91 PolarHBondContact O-N 2.84Å; M89-F92 WeakPolarHBondContact O-CB 3.25Å; M89-F92 PolarHBondContact O-N 2.79Å; M89-N93 VanDerWaalsContact O-CG 3.29Å; M89-N93 PolarHBondContact O-N 3.4Å; M89-N93 PolarHBondContact O-OD1 2.9Å; M89-L280 HydrophobicContact CE-CD1 3.73Å; M89-L280 HydrophobicContact CE-CD2 3.73Å; M89-L280 HydrophobicContact CE-CG 4.08Å; M89-L280 HydrophobicContact SD-CD1 4.43Å; M89-E378 HydrophobicContact CB-CB 4.08Å; M89-E378 HydrophobicContact CB-CG 3.88Å; M89-E378 WeakPolarHBondContact CB-OE1 3.45Å; M89-E378 HydrophobicContact CG-CB 4.41Å; M89-E378 PolarHBondContact N-OE1 3.33Å; M89-E378 VanDerWaalsContact N-OE1 3.12Å; M89-E378 HydrophobicContact SD-CB 4.42Å; M89-E378 HydrophobicContact SD-CG 4.42Å; M89-A381 HydrophobicContact SD-CB 3.74Å
90	R	94.9	Very high	93.1	Very high	62 Å²	62	33.8 Å²	33.8	23%	0.234	17%	0.17	C	C	.	.	H	α-helix	trans	-63.4	-39.4	174	-71.6	179.3	-167.4	-132.8	7.6	111.5	I86 F87 Y88 N94 G282	I86-R90 HydrophobicContact CD1-CG 4.05Å; I86-R90 VanDerWaalsContact CD1-NE 3.33Å; I86-R90 HydrophobicContact CG1-CG 4.29Å; I86-R90 WeakPolarHBondContact O-CG 3.44Å; I86-R90 PolarHBondContact O-N 2.81Å; F87-R90 PolarHBondContact O-N 3.31Å; Y88-R90 VanDerWaalsContact C-N 3.35Å; Y88-R90 PolarHBondContact O-N 2.79Å; R90-N94 WeakPolarHBondContact O-CB 3.49Å; R90-N94 PolarHBondContact O-N 2.89Å; R90-N94 PolarHBondContact O-ND2 2.78Å; R90-G282 PolarHBondContact NH2-O 2.8Å
91	N	96.6	Very high	94	Very high	27 Å²	27	30.4 Å²	30.4	14%	0.144	15%	0.149	C	C	.	.	H	α-helix	trans	-69.2	-39	176.5	-67.7	-15.6	0	0	0	111.6	F87 Y88 M89 N94 W95 M333 M334 A335	F87-N91 WeakPolarHBondContact CE1-ND2 3.48Å; F87-N91 VanDerWaalsContact CE2-ND2 3.33Å; F87-N91 WeakPolarHBondContact CE2-ND2 3.48Å; F87-N91 WeakPolarHBondContact CZ-ND2 3.44Å; F87-N91 PolarHBondContact O-N 2.9Å; Y88-N91 CarbonylContact O-C 3.54Å; Y88-N91 WeakPolarHBondContact O-CB 3.28Å; Y88-N91 PolarHBondContact O-N 3.4Å; Y88-N91 VanDerWaalsContact O-N 3.11Å; M89-N91 VanDerWaalsContact C-N 3.32Å; M89-N91 PolarHBondContact O-N 2.84Å; N91-N94 CarbonylContact O-C 3.44Å; N91-N94 PolarHBondContact O-N 2.81Å; N91-W95 WeakPolarHBondContact O-CB 3.44Å; N91-W95 PolarHBondContact O-N 2.89Å; N91-M333 WeakPolarHBondContact CB-O 3.32Å; N91-M333 PolarHBondContact ND2-O 3.29Å; N91-M334 VanDerWaalsContact CB-O 3.26Å; N91-M334 WeakPolarHBondContact CB-O 3.49Å; N91-M334 PolarHBondContact ND2-O 3.33Å; N91-A335 HydrophobicContact CB-CB 4.42Å
92	F	98.3	Very high	94.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-58.4	-51.4	173.1	-176.9	-102	0	0	0	111.8	Y88 M89 N94 W95 L96 F313 F317 A335 L336 L374 W379 T382	Y88-F92 WeakPolarHBondContact O-CB 3.39Å; Y88-F92 PolarHBondContact O-N 2.87Å; M89-F92 WeakPolarHBondContact O-CB 3.25Å; M89-F92 PolarHBondContact O-N 2.79Å; F92-N94 VanDerWaalsContact C-N 3.27Å; F92-N94 PolarHBondContact O-N 2.91Å; F92-W95 WeakPolarHBondContact O-CB 3.4Å; F92-W95 PolarHBondContact O-N 2.88Å; F92-W95 VanDerWaalsContact O-N 3.08Å; F92-L96 HydrophobicContact CD1-CD1 3.86Å; F92-L96 HydrophobicContact CD1-CG 4.49Å; F92-L96 HydrophobicContact CE1-CD1 3.39Å; F92-L96 HydrophobicContact CE1-CG 4.13Å; F92-L96 HydrophobicContact CZ-CD1 3.95Å; F92-L96 HydrophobicContact CZ-CG 4.3Å; F92-L96 PolarHBondContact O-N 3.29Å; F92-F313 HydrophobicContact CE1-CD2 4.39Å; F92-F317 HydrophobicContact CE2-CB 4.28Å; F92-F317 AromaticContact CE2-CD2 3.46Å; F92-F317 HydrophobicContact CE2-CD2 3.46Å; F92-F317 VanDerWaalsContact CE2-CD2 3.46Å; F92-F317 AromaticContact CE2-CE2 3.9Å; F92-F317 HydrophobicContact CE2-CE2 3.9Å; F92-F317 AromaticContact CE2-CG 3.87Å; F92-F317 HydrophobicContact CE2-CG 3.87Å; F92-F317 HydrophobicContact CZ-CB 3.93Å; F92-F317 HydrophobicContact CZ-CD2 4.01Å; F92-F317 AromaticContact CZ-CG 3.99Å; F92-F317 HydrophobicContact CZ-CG 3.99Å; F92-A335 WeakPolarHBondContact CB-O 3.49Å; F92-L336 HydrophobicContact CD2-CD2 4.04Å; F92-L336 HydrophobicContact CE2-CD2 4.41Å; F92-L374 HydrophobicContact CB-CD1 4.25Å; F92-L374 HydrophobicContact CD1-CD1 4.33Å; F92-L374 HydrophobicContact CD2-CD1 4.43Å; F92-L374 HydrophobicContact CG-CD1 4.09Å; F92-W379 HydrophobicContact CE1-CZ3 4.19Å; F92-W379 AromaticContact CE2-CH2 3.9Å; F92-W379 HydrophobicContact CE2-CH2 3.9Å; F92-W379 HydrophobicContact CE2-CZ3 4.11Å; F92-W379 HydrophobicContact CZ-CH2 4.01Å; F92-W379 AromaticContact CZ-CZ3 3.74Å; F92-W379 HydrophobicContact CZ-CZ3 3.74Å; F92-T382 HydrophobicContact CD1-CG2 4.24Å; F92-T382 WeakPolarHBondContact CD1-OG1 3.31Å; F92-T382 HydrophobicContact CE1-CG2 3.91Å; F92-T382 WeakPolarHBondContact CE1-OG1 3.39Å
93	N	97.6	Very high	95.8	Very high	22 Å²	22	26.5 Å²	26.5	12%	0.118	13%	0.134	C	C	.	.	H	α-helix	trans	-58.9	-40.8	175.8	-69.1	-3.8	0	0	0	111.1	M89 L96 K97 F203 T382	M89-N93 VanDerWaalsContact O-CG 3.29Å; M89-N93 PolarHBondContact O-N 3.4Å; M89-N93 PolarHBondContact O-OD1 2.9Å; N93-L96 PolarHBondContact O-N 3.41Å; N93-K97 WeakPolarHBondContact O-CG 3.48Å; N93-K97 PolarHBondContact O-N 3.46Å; N93-K97 VanDerWaalsContact O-N 3.1Å; N93-F203 HydrophobicContact CB-CZ 4.27Å; N93-T382 PolarHBondContact OD1-OG1 3.4Å
94	N	97.4	Very high	96.5	Very high	51 Å²	51	19.6 Å²	19.6	27%	0.273	10%	0.102	S	C	.	.	H	α-helix	trans	-67.2	-35.2	175.6	-85.5	-54.7	0	0	0	113.5	R90 N91 F92 S98 K131 M333	R90-N94 WeakPolarHBondContact O-CB 3.49Å; R90-N94 PolarHBondContact O-N 2.89Å; R90-N94 PolarHBondContact O-ND2 2.78Å; N91-N94 CarbonylContact O-C 3.44Å; N91-N94 PolarHBondContact O-N 2.81Å; F92-N94 VanDerWaalsContact C-N 3.27Å; F92-N94 PolarHBondContact O-N 2.91Å; N94-S98 WeakPolarHBondContact O-CB 3.27Å; N94-S98 PolarHBondContact O-N 3.38Å; N94-S98 PolarHBondContact O-OG 2.9Å; N94-K131 VanDerWaalsContact O-CE 3.26Å; N94-K131 WeakPolarHBondContact O-CE 3.49Å; N94-K131 PolarHBondContact OD1-NZ 3.19Å; N94-M333 HydrophobicContact CB-CE 3.65Å
95	W	98.5	Very high	97	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-66.2	-47.1	174.9	172.2	84.7	0	0	0	110.9	N91 F92 K97 S98 V99 F317 K320 V321 H326 M330 M333 A335	N91-W95 WeakPolarHBondContact O-CB 3.44Å; N91-W95 PolarHBondContact O-N 2.89Å; F92-W95 WeakPolarHBondContact O-CB 3.4Å; F92-W95 PolarHBondContact O-N 2.88Å; F92-W95 VanDerWaalsContact O-N 3.08Å; W95-K97 VanDerWaalsContact C-N 3.33Å; W95-K97 PolarHBondContact O-N 3.48Å; W95-S98 WeakPolarHBondContact O-CB 3.45Å; W95-S98 PolarHBondContact O-N 2.86Å; W95-V99 HydrophobicContact CD2-CG2 4.13Å; W95-V99 HydrophobicContact CH2-CG2 4.46Å; W95-V99 HydrophobicContact CZ2-CG2 3.9Å; W95-V99 WeakPolarHBondContact O-CG2 3.2Å; W95-V99 PolarHBondContact O-N 3.17Å; W95-F317 HydrophobicContact CE3-CD2 4.33Å; W95-F317 AromaticContact CH2-CD2 3.66Å; W95-F317 HydrophobicContact CH2-CD2 3.66Å; W95-F317 HydrophobicContact CH2-CE2 4.25Å; W95-F317 HydrophobicContact CZ3-CB 4.36Å; W95-F317 AromaticContact CZ3-CD2 3.49Å; W95-F317 HydrophobicContact CZ3-CD2 3.49Å; W95-F317 VanDerWaalsContact CZ3-CD2 3.49Å; W95-F317 HydrophobicContact CZ3-CE2 4.29Å; W95-F317 HydrophobicContact CZ3-CG 4.4Å; W95-K320 HydrophobicContact CH2-CB 4.07Å; W95-V321 HydrophobicContact CH2-CB 4.42Å; W95-H326 HydrophobicContact CZ2-CB 4.12Å; W95-H326 PolarHBondContact NE1-O 2.6Å; W95-M330 VanDerWaalsContact CD1-N 3.34Å; W95-M330 HydrophobicContact CD2-CB 4.39Å; W95-M330 HydrophobicContact CD2-CG 4.46Å; W95-M330 HydrophobicContact CG-CB 4.28Å; W95-M330 HydrophobicContact CG-CG 4.48Å; W95-M330 HydrophobicContact CZ2-CB 4.45Å; W95-M333 HydrophobicContact CB-CE 4.34Å; W95-M333 HydrophobicContact CB-SD 4.17Å; W95-A335 HydrophobicContact CB-CB 3.72Å; W95-A335 HydrophobicContact CG-CB 4.16Å
96	L	98.5	Very high	97.4	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-54.1	-49.8	175.2	-79.8	172.3	0	0	0	111.5	F92 N93 S98 V99 L100 F313 F316	F92-L96 HydrophobicContact CD1-CD1 3.86Å; F92-L96 HydrophobicContact CD1-CG 4.49Å; F92-L96 HydrophobicContact CE1-CD1 3.39Å; F92-L96 HydrophobicContact CE1-CG 4.13Å; F92-L96 HydrophobicContact CZ-CD1 3.95Å; F92-L96 HydrophobicContact CZ-CG 4.3Å; F92-L96 PolarHBondContact O-N 3.29Å; N93-L96 PolarHBondContact O-N 3.41Å; L96-S98 VanDerWaalsContact C-N 3.34Å; L96-S98 PolarHBondContact O-N 2.78Å; L96-V99 PolarHBondContact O-N 3.32Å; L96-L100 WeakPolarHBondContact O-CB 3.33Å; L96-L100 PolarHBondContact O-N 3.31Å; L96-F313 HydrophobicContact CD1-CB 4.07Å; L96-F313 HydrophobicContact CD1-CD1 4.11Å; L96-F313 HydrophobicContact CD1-CD2 3.15Å; L96-F313 HydrophobicContact CD1-CE1 4.33Å; L96-F313 HydrophobicContact CD1-CE2 3.43Å; L96-F313 VanDerWaalsContact CD1-CE2 3.43Å; L96-F313 HydrophobicContact CD1-CG 3.52Å; L96-F313 HydrophobicContact CD1-CZ 4.02Å; L96-F316 HydrophobicContact CD2-CD1 3.31Å; L96-F316 HydrophobicContact CD2-CE1 3.85Å; L96-F316 HydrophobicContact CD2-CG 4.3Å
97	K	98.5	Very high	97.7	Very high	23 Å²	23	27.1 Å²	27.1	10%	0.1	13%	0.134	C	C	.	.	H	α-helix	trans	-60.4	-41.6	175.9	-69.8	-165.1	-62.4	167.2	0	112.6	N93 W95 V99 L100 I101 D128 K131 Q202 F203	N93-K97 WeakPolarHBondContact O-CG 3.48Å; N93-K97 PolarHBondContact O-N 3.46Å; N93-K97 VanDerWaalsContact O-N 3.1Å; W95-K97 VanDerWaalsContact C-N 3.33Å; W95-K97 PolarHBondContact O-N 3.48Å; K97-V99 PolarHBondContact O-N 3.23Å; K97-L100 PolarHBondContact O-N 3.49Å; K97-I101 VanDerWaalsContact O-CB 3.3Å; K97-I101 WeakPolarHBondContact O-CB 3.17Å; K97-I101 VanDerWaalsContact O-CG1 3.25Å; K97-I101 WeakPolarHBondContact O-CG1 3.29Å; K97-I101 PolarHBondContact O-N 2.9Å; K97-D128 WeakPolarHBondContact CE-OD1 3.44Å; K97-D128 IonicContact NZ-OD1 3.4Å; K97-D128 PolarHBondContact NZ-OD1 2.82Å; K97-D128 IonicContact NZ-OD2 3.78Å; K97-D128 PolarHBondContact NZ-OD2 3.15Å; K97-K131 HydrophobicContact CB-CD 4.28Å; K97-Q202 HydrophobicContact CD-CB 3.76Å; K97-Q202 HydrophobicContact CD-CG 3.75Å; K97-Q202 HydrophobicContact CG-CG 4.47Å; K97-F203 HydrophobicContact CD-CE2 4.05Å
98	S	98.6	Very high	97.9	Very high	23 Å²	23	25.6 Å²	25.6	16%	0.161	13%	0.128	C	C	.	.	H	α-helix	trans	-63.9	-41.2	179.2	-57.2	0	0	0	0	112	N94 W95 L96 G102 K131	N94-S98 WeakPolarHBondContact O-CB 3.27Å; N94-S98 PolarHBondContact O-N 3.38Å; N94-S98 PolarHBondContact O-OG 2.9Å; W95-S98 WeakPolarHBondContact O-CB 3.45Å; W95-S98 PolarHBondContact O-N 2.86Å; L96-S98 VanDerWaalsContact C-N 3.34Å; L96-S98 PolarHBondContact O-N 2.78Å; S98-G102 PolarHBondContact O-N 3.28Å; S98-K131 WeakPolarHBondContact OG-CD 3.32Å; S98-K131 WeakPolarHBondContact OG-CE 3.27Å
99	V	98.7	Very high	97.9	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.018	14%	0.138	C	C	.	.	H	α-helix	trans	-67.1	-48.3	176.4	171.3	0	0	0	0	111	W95 L96 K97 I101 G102 E103 F316 K320 H326	W95-V99 HydrophobicContact CD2-CG2 4.13Å; W95-V99 HydrophobicContact CH2-CG2 4.46Å; W95-V99 HydrophobicContact CZ2-CG2 3.9Å; W95-V99 WeakPolarHBondContact O-CG2 3.2Å; W95-V99 PolarHBondContact O-N 3.17Å; L96-V99 PolarHBondContact O-N 3.32Å; K97-V99 PolarHBondContact O-N 3.23Å; V99-I101 PolarHBondContact O-N 3.46Å; V99-G102 PolarHBondContact O-N 2.92Å; V99-E103 PolarHBondContact O-N 2.97Å; V99-F316 HydrophobicContact CB-CE1 4.26Å; V99-F316 HydrophobicContact CG1-CE1 3.88Å; V99-F316 HydrophobicContact CG1-CZ 4Å; V99-K320 HydrophobicContact CG1-CB 3.93Å; V99-K320 HydrophobicContact CG1-CD 4.31Å; V99-K320 HydrophobicContact CG1-CG 3.77Å; V99-H326 VanDerWaalsContact CG1-CE1 3.5Å; V99-H326 WeakPolarHBondContact CG1-CE1 3.3Å; V99-H326 HydrophobicContact CG2-CB 4.2Å
100	L	98.8	Very high	98	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.016	17%	0.173	C	C	.	.	H	α-helix	trans	-56.9	-51.4	177.5	175.7	61.5	0	0	0	111.6	L96 K97 G102 E103 I104 I233 F316 V387 V389	L96-L100 WeakPolarHBondContact O-CB 3.33Å; L96-L100 PolarHBondContact O-N 3.31Å; K97-L100 PolarHBondContact O-N 3.49Å; L100-G102 VanDerWaalsContact C-N 3.35Å; L100-G102 PolarHBondContact O-N 3.5Å; L100-E103 PolarHBondContact O-N 3.32Å; L100-I104 HydrophobicContact CD1-CG1 4.21Å; L100-I104 WeakPolarHBondContact O-CG1 3.48Å; L100-I104 PolarHBondContact O-N 3.09Å; L100-I233 HydrophobicContact CD2-CB 4.42Å; L100-I233 HydrophobicContact CG-CD1 4.29Å; L100-F316 HydrophobicContact CB-CZ 4.11Å; L100-F316 HydrophobicContact CD1-CE2 4.46Å; L100-V387 HydrophobicContact CD1-CG1 3.7Å; L100-V387 HydrophobicContact CD2-CG1 3.68Å; L100-V387 HydrophobicContact CG-CG1 4.23Å; L100-V389 HydrophobicContact CD1-CG2 3.73Å
101	I	98.8	Very high	98	Very high	3 Å²	3	33 Å²	33	2%	0.015	20%	0.197	C	C	.	.	H	α-helix	trans	-61	-44.8	179.2	-72.2	168	0	0	0	110.7	K97 V99 I104 L105 K131 W132 I233	K97-I101 VanDerWaalsContact O-CB 3.3Å; K97-I101 WeakPolarHBondContact O-CB 3.17Å; K97-I101 VanDerWaalsContact O-CG1 3.25Å; K97-I101 WeakPolarHBondContact O-CG1 3.29Å; K97-I101 PolarHBondContact O-N 2.9Å; V99-I101 PolarHBondContact O-N 3.46Å; I101-I104 PolarHBondContact O-N 3.43Å; I101-L105 HydrophobicContact CG2-CD1 3.7Å; I101-L105 HydrophobicContact CG2-CG 4.32Å; I101-L105 WeakPolarHBondContact O-CB 3.28Å; I101-L105 VanDerWaalsContact O-CG 3.31Å; I101-L105 WeakPolarHBondContact O-CG 3.46Å; I101-L105 PolarHBondContact O-N 3.39Å; I101-K131 HydrophobicContact CD1-CB 4.2Å; I101-K131 HydrophobicContact CD1-CD 3.91Å; I101-W132 HydrophobicContact CB-CH2 4.35Å; I101-W132 HydrophobicContact CB-CZ3 4.49Å; I101-W132 HydrophobicContact CD1-CH2 4.1Å; I101-W132 HydrophobicContact CD1-CZ2 3.79Å; I101-W132 HydrophobicContact CG1-CH2 3.83Å; I101-W132 HydrophobicContact CG1-CZ2 4.03Å; I101-W132 HydrophobicContact CG1-CZ3 4.43Å; I101-W132 HydrophobicContact CG2-CD2 4.46Å; I101-W132 HydrophobicContact CG2-CE3 3.81Å; I101-W132 HydrophobicContact CG2-CH2 3.71Å; I101-W132 HydrophobicContact CG2-CZ2 4.36Å; I101-W132 HydrophobicContact CG2-CZ3 3.41Å; I101-W132 VanDerWaalsContact CG2-CZ3 3.41Å; I101-I233 HydrophobicContact CG1-CD1 4.22Å
102	G	98.4	Very high	97.9	Very high	27 Å²	27	34.2 Å²	34.2	28%	0.278	22%	0.216	S	C	.	.	H	α-helix	trans	-59.2	-51.3	178.7	0	0	0	0	0	112.8	S98 V99 L100 I104 L105 D106	S98-G102 PolarHBondContact O-N 3.28Å; V99-G102 PolarHBondContact O-N 2.92Å; L100-G102 VanDerWaalsContact C-N 3.35Å; L100-G102 PolarHBondContact O-N 3.5Å; G102-I104 VanDerWaalsContact C-N 3.26Å; G102-I104 PolarHBondContact O-N 3.19Å; G102-L105 PolarHBondContact O-N 3.23Å; G102-D106 PolarHBondContact O-N 2.88Å
103	E	98.4	Very high	97.6	Very high	20 Å²	20	35.9 Å²	35.9	9%	0.093	23%	0.228	C	C	.	.	H	α-helix	trans	-62.4	-34	-179.9	-71.8	-160.7	160.2	0	0	112.6	V99 L100 R107 K320 K323 H326	V99-E103 PolarHBondContact O-N 2.97Å; L100-E103 PolarHBondContact O-N 3.32Å; E103-R107 WeakPolarHBondContact O-CG 3.3Å; E103-R107 PolarHBondContact O-N 3.33Å; E103-R107 VanDerWaalsContact O-N 3.16Å; E103-K320 WeakPolarHBondContact OE1-CD 3.33Å; E103-K320 IonicContact OE1-NZ 2.75Å; E103-K320 PolarHBondContact OE1-NZ 2.92Å; E103-K320 WeakPolarHBondContact OE2-CE 3.36Å; E103-K320 IonicContact OE2-NZ 3.29Å; E103-K320 PolarHBondContact OE2-NZ 3.1Å; E103-K323 IonicContact OE1-NZ 2.69Å; E103-K323 PolarHBondContact OE1-NZ 2.89Å; E103-H326 IonicContact OE1-CE1 2.94Å; E103-H326 PolarHBondContact OE1-CE1 2.92Å
104	I	98.7	Very high	97.3	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.015	26%	0.264	C	S	.	.	H	α-helix	trans	-75.7	-39.5	-180	-63.3	-74.9	0	0	0	110.8	L100 I101 G102 D106 R107 V108 I198 F231 I233 V389	L100-I104 HydrophobicContact CD1-CG1 4.21Å; L100-I104 WeakPolarHBondContact O-CG1 3.48Å; L100-I104 PolarHBondContact O-N 3.09Å; I101-I104 PolarHBondContact O-N 3.43Å; G102-I104 VanDerWaalsContact C-N 3.26Å; G102-I104 PolarHBondContact O-N 3.19Å; I104-D106 VanDerWaalsContact C-N 3.3Å; I104-D106 PolarHBondContact O-N 2.9Å; I104-R107 PolarHBondContact O-N 3.23Å; I104-V108 HydrophobicContact CG2-CG2 4.48Å; I104-V108 WeakPolarHBondContact O-CG2 3.23Å; I104-V108 PolarHBondContact O-N 3.2Å; I104-I198 HydrophobicContact CG2-CD1 3.83Å; I104-I198 HydrophobicContact CG2-CG1 4.01Å; I104-I198 HydrophobicContact CG2-CG2 4.39Å; I104-F231 HydrophobicContact CD1-CD1 4.14Å; I104-F231 HydrophobicContact CD1-CG 4.3Å; I104-F231 HydrophobicContact CG2-CB 3.81Å; I104-F231 HydrophobicContact CG2-CD2 3.9Å; I104-F231 HydrophobicContact CG2-CG 3.89Å; I104-I233 HydrophobicContact CB-CD1 4.41Å; I104-I233 HydrophobicContact CD1-CG2 3.96Å; I104-I233 HydrophobicContact CG1-CD1 4.34Å; I104-I233 HydrophobicContact CG1-CG2 3.93Å; I104-I233 HydrophobicContact CG2-CD1 4.42Å; I104-I233 HydrophobicContact CG2-CG2 4.18Å; I104-V389 HydrophobicContact CD1-CB 4.46Å; I104-V389 HydrophobicContact CD1-CG1 3.6Å; I104-V389 HydrophobicContact CD1-CG2 3.96Å
105	L	98.6	Very high	97.2	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.016	28%	0.278	C	S	.	.	H	α-helix	trans	-59.4	-41.6	172	-76.6	168.8	0	0	0	111.9	I101 G102 R107 V108 R109 V116 W132 I137 I198	I101-L105 HydrophobicContact CG2-CD1 3.7Å; I101-L105 HydrophobicContact CG2-CG 4.32Å; I101-L105 WeakPolarHBondContact O-CB 3.28Å; I101-L105 VanDerWaalsContact O-CG 3.31Å; I101-L105 WeakPolarHBondContact O-CG 3.46Å; I101-L105 PolarHBondContact O-N 3.39Å; G102-L105 PolarHBondContact O-N 3.23Å; L105-R107 VanDerWaalsContact C-N 3.33Å; L105-R107 PolarHBondContact O-N 3.44Å; L105-V108 PolarHBondContact O-N 2.8Å; L105-R109 WeakPolarHBondContact O-CB 3.3Å; L105-R109 WeakPolarHBondContact O-CG 3.49Å; L105-R109 PolarHBondContact O-N 3.04Å; L105-V116 HydrophobicContact CD2-CG1 3.89Å; L105-W132 HydrophobicContact CD1-CE3 4.42Å; L105-W132 HydrophobicContact CD1-CZ3 4.3Å; L105-W132 HydrophobicContact CD2-CZ3 4.38Å; L105-W132 HydrophobicContact CG-CZ3 4.39Å; L105-I137 HydrophobicContact CD2-CG2 3.66Å; L105-I198 HydrophobicContact CD2-CD1 3.62Å; L105-I198 HydrophobicContact CG-CD1 4.03Å
106	D	97.9	Very high	97.2	Very high	108 Å²	108	48.4 Å²	48.4	58%	0.578	28%	0.278	S	S	*	.	H	α-helix	trans	-62.5	-40.5	176.1	-71	-17.4	0	0	0	111.5	G102 I104 G110	G102-D106 PolarHBondContact O-N 2.88Å; I104-D106 VanDerWaalsContact C-N 3.3Å; I104-D106 PolarHBondContact O-N 2.9Å; D106-G110 PolarHBondContact O-N 2.79Å
107	R	98.3	Very high	97.2	Very high	110 Å²	110	49.1 Å²	49.1	42%	0.415	28%	0.283	S	S	.	.	H	α-helix	trans	-65.4	-46	175.3	-70.4	176.7	-166.6	-152.6	4.6	112.5	E103 I104 L105 R109 G110 A111 F231	E103-R107 WeakPolarHBondContact O-CG 3.3Å; E103-R107 PolarHBondContact O-N 3.33Å; E103-R107 VanDerWaalsContact O-N 3.16Å; I104-R107 PolarHBondContact O-N 3.23Å; L105-R107 VanDerWaalsContact C-N 3.33Å; L105-R107 PolarHBondContact O-N 3.44Å; R107-R109 VanDerWaalsContact C-N 3.31Å; R107-R109 PolarHBondContact O-N 3.29Å; R107-G110 PolarHBondContact O-N 3.09Å; R107-A111 PolarHBondContact O-N 3.26Å; R107-F231 HydrophobicContact CB-CE2 4.18Å; R107-F231 HydrophobicContact CB-CZ 4.18Å
108	V	98.1	Very high	97.2	Very high	5 Å²	5	48 Å²	48	3%	0.03	28%	0.278	C	S	.	.	H	α-helix	trans	-59.2	-43.5	177.6	164.9	0	0	0	0	110.8	I104 L105 A111 S113 V116 D197 I198 F231	I104-V108 HydrophobicContact CG2-CG2 4.48Å; I104-V108 WeakPolarHBondContact O-CG2 3.23Å; I104-V108 PolarHBondContact O-N 3.2Å; L105-V108 PolarHBondContact O-N 2.8Å; V108-A111 PolarHBondContact O-N 2.94Å; V108-S113 WeakPolarHBondContact O-CB 3.39Å; V108-S113 PolarHBondContact O-N 3.5Å; V108-V116 HydrophobicContact CG1-CG1 4.28Å; V108-V116 HydrophobicContact CG1-CG2 3.91Å; V108-D197 HydrophobicContact CG1-CB 3.77Å; V108-D197 HydrophobicContact CG2-CB 4.45Å; V108-I198 HydrophobicContact CG2-CD1 4.11Å; V108-I198 HydrophobicContact CG2-CG1 3.87Å; V108-F231 HydrophobicContact CG2-CD2 3.62Å; V108-F231 HydrophobicContact CG2-CE2 3.85Å
109	R	97.1	Very high	97.2	Very high	96 Å²	96	47 Å²	47	36%	0.362	27%	0.271	S	S	.	.	H	α-helix	trans	-68.8	-41.3	176.1	-74.8	176.3	167.6	135.8	2.2	113	L105 R107 A111 G112 G135 G136	L105-R109 WeakPolarHBondContact O-CB 3.3Å; L105-R109 WeakPolarHBondContact O-CG 3.49Å; L105-R109 PolarHBondContact O-N 3.04Å; R107-R109 VanDerWaalsContact C-N 3.31Å; R107-R109 PolarHBondContact O-N 3.29Å; R109-A111 PolarHBondContact O-N 2.99Å; R109-G112 PolarHBondContact O-N 3.45Å; R109-G135 PolarHBondContact NH1-O 3.07Å; R109-G135 PolarHBondContact NH2-O 2.8Å; R109-G136 PolarHBondContact NH2-O 2.85Å
110	G	97.1	Very high	97.2	Very high	73 Å²	73	47 Å²	47	75%	0.753	27%	0.271	S	S	*	.	H	α-helix	trans	-60	-28.9	175.3	0	0	0	0	0	112.7	D106 R107 G112	D106-G110 PolarHBondContact O-N 2.79Å; R107-G110 PolarHBondContact O-N 3.09Å; G110-G112 VanDerWaalsContact C-N 3.29Å
111	A	95.1	Very high	97.2	Very high	91 Å²	91	47 Å²	47	75%	0.752	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-3.1	173.2	0	0	0	0	0	114.3	R107 V108 R109	R107-A111 PolarHBondContact O-N 3.26Å; V108-A111 PolarHBondContact O-N 2.94Å; R109-A111 PolarHBondContact O-N 2.99Å
112	G	93.9	Very high	97.2	Very high	53 Å²	53	47.6 Å²	47.6	55%	0.546	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	106.2	-2.5	173	0	0	0	0	0	116	R109 G110 R114	R109-G112 PolarHBondContact O-N 3.45Å; G110-G112 VanDerWaalsContact C-N 3.29Å; G112-R114 PolarHBondContact O-N 2.89Å; G112-R114 VanDerWaalsContact O-N 3.14Å
113	S	92.8	Very high	97.2	Very high	35 Å²	35	46.8 Å²	46.8	25%	0.245	27%	0.268	C	S	.	.			trans	-69.4	110.6	177.1	-76.2	0	0	0	0	111.3	V108 D197	V108-S113 WeakPolarHBondContact O-CB 3.39Å; V108-S113 PolarHBondContact O-N 3.5Å; S113-D197 WeakPolarHBondContact CB-OD1 3.37Å; S113-D197 PolarHBondContact OG-OD1 2.91Å
114	R	90.6	Very high	97.1	Very high	230 Å²	230	46.7 Å²	46.7	87%	0.868	27%	0.273	S	S	*	.	S	Bend	trans	-86.5	-39.6	176.5	-63.7	-176.4	-178.7	179.8	0.3	112.8	G112	G112-R114 PolarHBondContact O-N 2.89Å; G112-R114 VanDerWaalsContact O-N 3.14Å
115	N	95.4	Very high	96.9	Very high	106 Å²	106	48.2 Å²	48.2	57%	0.567	28%	0.279	S	S	*	.	S	Bend	trans	-107.2	95.7	178.5	-63.9	-31.5	0	0	0	108.9	S138	N115-S138 WeakPolarHBondContact CA-OG 3.26Å
116	V	98.3	Very high	96.8	Very high	1 Å²	1	48 Å²	48	1%	0.006	28%	0.278	C	S	.	.			trans	-84.1	122.4	-175.6	-178	0	0	0	0	110	L105 V108 V118 I137 S138 H139 D197 I198	L105-V116 HydrophobicContact CD2-CG1 3.89Å; V108-V116 HydrophobicContact CG1-CG1 4.28Å; V108-V116 HydrophobicContact CG1-CG2 3.91Å; V116-V118 HydrophobicContact CG1-CG2 4.08Å; V116-I137 HydrophobicContact CB-CB 4.28Å; V116-I137 HydrophobicContact CB-CG2 4.19Å; V116-I137 HydrophobicContact CG1-CB 4.43Å; V116-I137 HydrophobicContact CG1-CG2 3.97Å; V116-S138 PolarHBondContact O-N 2.79Å; V116-H139 PolarHBondContact O-N 2.66Å; V116-D197 WeakPolarHBondContact CA-OD2 3.5Å; V116-D197 HydrophobicContact CG1-CB 4.02Å; V116-I198 HydrophobicContact CG1-CD1 4.3Å
117	S	98.7	Very high	96.7	Very high	16 Å²	16	44.4 Å²	44.4	11%	0.112	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	134.3	172	-64.7	0	0	0	0	110.5	H139 D197 I198	S117-H139 WeakPolarHBondContact CA-O 3.32Å; S117-D197 PolarHBondContact N-OD2 3.24Å; S117-D197 PolarHBondContact O-N 3.22Å; S117-I198 PolarHBondContact O-N 2.84Å
118	V	98.9	Very high	96.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	139.3	-174.7	179.6	0	0	0	0	111.4	V116 W132 I137 H139 I140 V141 F196 I198	V116-V118 HydrophobicContact CG1-CG2 4.08Å; V118-W132 HydrophobicContact CG1-CD2 4.19Å; V118-W132 HydrophobicContact CG1-CE3 4.23Å; V118-W132 HydrophobicContact CG1-CH2 3.75Å; V118-W132 HydrophobicContact CG1-CZ2 3.68Å; V118-W132 HydrophobicContact CG1-CZ3 4.01Å; V118-W132 HydrophobicContact CG2-CE3 3.96Å; V118-W132 HydrophobicContact CG2-CH2 4.39Å; V118-W132 HydrophobicContact CG2-CZ3 3.85Å; V118-I137 HydrophobicContact CB-CD1 4.03Å; V118-I137 HydrophobicContact CG2-CB 4.32Å; V118-I137 HydrophobicContact CG2-CD1 3.76Å; V118-I137 HydrophobicContact CG2-CG2 3.89Å; V118-H139 PolarHBondContact N-O 3.1Å; V118-I140 HydrophobicContact CB-CG1 4.14Å; V118-I140 HydrophobicContact CG1-CD1 4.41Å; V118-I140 HydrophobicContact CG1-CG1 4.29Å; V118-I140 CarbonylContact O-C 3.53Å; V118-I140 VanDerWaalsContact O-CA 3.25Å; V118-I140 WeakPolarHBondContact O-CA 3.4Å; V118-V141 PolarHBondContact O-N 3.14Å; V118-F196 VanDerWaalsContact C-CD1 3.46Å; V118-I198 CarbonylContact C-O 3.55Å; V118-I198 VanDerWaalsContact CA-O 3.3Å; V118-I198 WeakPolarHBondContact CA-O 3.33Å; V118-I198 HydrophobicContact CG2-CB 4.28Å
119	L	98.9	Very high	96.7	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	121.9	161.6	171.8	59.9	0	0	0	108.7	V141 L185 F196 I198 C199 S200 N221	L119-V141 HydrophobicContact CD1-CB 4.03Å; L119-V141 HydrophobicContact CD1-CG1 3.95Å; L119-L185 HydrophobicContact CD1-CD2 3.68Å; L119-L185 HydrophobicContact CD2-CD2 3.9Å; L119-L185 HydrophobicContact CG-CD2 4.45Å; L119-F196 HydrophobicContact CB-CD1 3.86Å; L119-F196 HydrophobicContact CB-CD2 3.99Å; L119-F196 HydrophobicContact CB-CE1 3.94Å; L119-F196 HydrophobicContact CB-CE2 4.08Å; L119-F196 HydrophobicContact CB-CG 3.88Å; L119-F196 HydrophobicContact CB-CZ 4.05Å; L119-F196 HydrophobicContact CD2-CD2 4.47Å; L119-F196 HydrophobicContact CD2-CE2 4.28Å; L119-I198 PolarHBondContact N-O 3.44Å; L119-C199 HydrophobicContact CB-CB 4.33Å; L119-C199 CarbonylContact O-C 3.5Å; L119-C199 VanDerWaalsContact O-CA 3.31Å; L119-C199 WeakPolarHBondContact O-CA 3.31Å; L119-S200 PolarHBondContact O-N 3.32Å; L119-N221 WeakPolarHBondContact CD2-O 3.28Å
120	D	98.9	Very high	96.6	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.016	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	99.1	172.7	-159.4	4.4	0	0	0	108.7	C123 W132 I140 V141 A143	D120-C123 HydrophobicContact CB-CB 4.2Å; D120-W132 PolarHBondContact OD2-NE1 3.3Å; D120-I140 HydrophobicContact CB-CD1 4.11Å; D120-I140 HydrophobicContact CB-CG1 4.42Å; D120-V141 PolarHBondContact N-O 3.34Å; D120-A143 PolarHBondContact O-N 2.87Å
121	L	98.5	Very high	96.7	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	118.5	-172.5	-162.7	163.1	0	0	0	109.6	C180 S200 C201 V204 M218 N221 A222	L121-C180 HydrophobicContact CD1-CB 4.49Å; L121-C180 HydrophobicContact CD2-CB 4.18Å; L121-C180 HydrophobicContact CG-CB 4.33Å; L121-S200 PolarHBondContact N-O 2.95Å; L121-C201 HydrophobicContact CB-CB 4.47Å; L121-V204 HydrophobicContact CD2-CG1 4Å; L121-M218 HydrophobicContact CD1-CG 4.28Å; L121-M218 HydrophobicContact CD2-CE 3.95Å; L121-M218 HydrophobicContact CD2-CG 3.99Å; L121-M218 HydrophobicContact CD2-SD 3.95Å; L121-N221 HydrophobicContact CD1-CB 4.38Å; L121-A222 HydrophobicContact CD1-CB 4.16Å
122	G	97.9	Very high	96.8	Very high	17 Å²	17	31.9 Å²	31.9	18%	0.175	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	52.4	-165.4	0	0	0	0	0	111	G124 A143 D144	G122-G124 PolarHBondContact O-N 2.76Å; G122-G124 VanDerWaalsContact O-N 3.1Å; G122-A143 VanDerWaalsContact CA-O 3.27Å; G122-A143 WeakPolarHBondContact CA-O 3.3Å; G122-A143 PolarHBondContact N-O 3.37Å; G122-D144 VanDerWaalsContact CA-OD2 3.3Å; G122-D144 WeakPolarHBondContact CA-OD2 3.28Å
123	C	98.1	Very high	96.9	Very high	10 Å²	10	32.6 Å²	32.6	7%	0.068	17%	0.169	C	C	.	.			trans	-64.4	-15.1	-174.8	67.7	0	0	0	0	113.5	D120 K125 G126 C142 A143 D144	D120-C123 HydrophobicContact CB-CB 4.2Å; C123-K125 PolarHBondContact O-N 2.98Å; C123-G126 PolarHBondContact O-N 3.06Å; C123-G126 VanDerWaalsContact O-N 3.11Å; C123-C142 HydrophobicContact CB-CB 3.88Å; C123-A143 PolarHBondContact N-O 3.34Å; C123-D144 PolarHBondContact N-OD2 3.43Å
124	G	96.3	Very high	97	Very high	18 Å²	18	39.6 Å²	39.6	19%	0.186	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	-134.9	-171.3	0	0	0	0	0	110.7	G122 G126 D144 S149 C153	G122-G124 PolarHBondContact O-N 2.76Å; G122-G124 VanDerWaalsContact O-N 3.1Å; G124-G126 PolarHBondContact O-N 3.15Å; G124-G126 VanDerWaalsContact O-N 3.15Å; G124-D144 VanDerWaalsContact CA-OD2 3.28Å; G124-D144 WeakPolarHBondContact CA-OD2 3.36Å; G124-D144 PolarHBondContact N-OD2 3.06Å; G124-S149 CarbonylContact O-C 3.49Å; G124-S149 VanDerWaalsContact O-O 3.04Å; G124-C153 WeakPolarHBondContact O-CB 3.29Å
125	K	95.7	Very high	97.2	Very high	34 Å²	34	29.1 Å²	29.1	15%	0.148	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	24.9	-178.1	-51.6	177.4	178	-173.2	0	113.5	L73 C123 Q152	L73-K125 PolarHBondContact O-NZ 3.4Å; C123-K125 PolarHBondContact O-N 2.98Å; K125-Q152 HydrophobicContact CB-CB 4.31Å; K125-Q152 HydrophobicContact CG-CB 4.38Å; K125-Q152 VanDerWaalsContact CG-OE1 3.23Å
126	G	96.5	Very high	97.2	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	36.8	177.6	0	0	0	0	0	114.9	C123 G124 D128 L129 C153 R156	C123-G126 PolarHBondContact O-N 3.06Å; C123-G126 VanDerWaalsContact O-N 3.11Å; G124-G126 PolarHBondContact O-N 3.15Å; G124-G126 VanDerWaalsContact O-N 3.15Å; G126-D128 PolarHBondContact O-N 3.05Å; G126-L129 WeakPolarHBondContact O-CB 3.35Å; G126-L129 WeakPolarHBondContact O-CG 3.46Å; G126-L129 PolarHBondContact O-N 3.28Å; G126-C153 WeakPolarHBondContact CA-SG 3.41Å; G126-R156 PolarHBondContact O-NE 3.11Å; G126-R156 PolarHBondContact O-NH1 2.82Å
127	G	95.4	Very high	97.2	Very high	32 Å²	32	26.4 Å²	26.4	33%	0.33	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-22.9	178.6	0	0	0	0	0	114.5	K131	G127-K131 PolarHBondContact O-NZ 3.46Å
128	D	98.3	Very high	97.2	Very high	9 Å²	9	27 Å²	27	5%	0.048	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-5.2	-176.6	-65.7	-25.2	0	0	0	113.6	K97 G126 L130 K131 W132	K97-D128 WeakPolarHBondContact CE-OD1 3.44Å; K97-D128 IonicContact NZ-OD1 3.4Å; K97-D128 PolarHBondContact NZ-OD1 2.82Å; K97-D128 IonicContact NZ-OD2 3.78Å; K97-D128 PolarHBondContact NZ-OD2 3.15Å; G126-D128 PolarHBondContact O-N 3.05Å; D128-L130 VanDerWaalsContact C-N 3.28Å; D128-L130 PolarHBondContact O-N 3.27Å; D128-L130 VanDerWaalsContact O-N 3.15Å; D128-K131 HydrophobicContact CB-CD 4.33Å; D128-K131 WeakPolarHBondContact O-CA 3.47Å; D128-K131 VanDerWaalsContact O-CB 3.26Å; D128-K131 WeakPolarHBondContact O-CB 3.28Å; D128-K131 PolarHBondContact O-N 3.05Å; D128-K131 WeakPolarHBondContact OD1-CD 3.37Å; D128-K131 WeakPolarHBondContact OD1-CE 3.48Å; D128-K131 IonicContact OD1-NZ 3.25Å; D128-K131 PolarHBondContact OD1-NZ 3.01Å; D128-W132 PolarHBondContact O-N 3.16Å
129	L	98.1	Very high	97.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-52.3	-41.2	178.1	-71.9	175.8	0	0	0	113.6	G126 K131 W132 R133 C153 R156 M160 F171	G126-L129 WeakPolarHBondContact O-CB 3.35Å; G126-L129 WeakPolarHBondContact O-CG 3.46Å; G126-L129 PolarHBondContact O-N 3.28Å; L129-K131 VanDerWaalsContact C-N 3.32Å; L129-K131 PolarHBondContact O-N 2.89Å; L129-W132 PolarHBondContact O-N 2.9Å; L129-R133 PolarHBondContact O-N 3.49Å; L129-C153 WeakPolarHBondContact CD1-O 3.41Å; L129-R156 HydrophobicContact CD1-CB 4.09Å; L129-R156 HydrophobicContact CD1-CG 4.03Å; L129-M160 HydrophobicContact CB-CE 4.09Å; L129-F171 HydrophobicContact CD2-CE2 4.36Å; L129-F171 HydrophobicContact CD2-CZ 4.16Å
130	L	95.9	Very high	97.2	Very high	78 Å²	78	28.6 Å²	28.6	41%	0.408	16%	0.16	S	C	.	.	H	α-helix	trans	-69	-32	177.9	-176.5	61.3	0	0	0	112.1	D128 R133 R134	D128-L130 VanDerWaalsContact C-N 3.28Å; D128-L130 PolarHBondContact O-N 3.27Å; D128-L130 VanDerWaalsContact O-N 3.15Å; L130-R133 PolarHBondContact O-N 3.18Å; L130-R134 HydrophobicContact CD1-CG 4.46Å; L130-R134 WeakPolarHBondContact O-CB 3.36Å; L130-R134 WeakPolarHBondContact O-CG 3.26Å; L130-R134 PolarHBondContact O-N 3.03Å
131	K	97.9	Very high	97.2	Very high	24 Å²	24	28.5 Å²	28.5	10%	0.104	16%	0.16	C	C	.	.	H	α-helix	trans	-66.7	-45	176.2	-54.2	-176.6	178.6	72.4	0	109.4	N94 K97 S98 I101 G127 D128 L129 R134 G135	N94-K131 VanDerWaalsContact O-CE 3.26Å; N94-K131 WeakPolarHBondContact O-CE 3.49Å; N94-K131 PolarHBondContact OD1-NZ 3.19Å; K97-K131 HydrophobicContact CB-CD 4.28Å; S98-K131 WeakPolarHBondContact OG-CD 3.32Å; S98-K131 WeakPolarHBondContact OG-CE 3.27Å; I101-K131 HydrophobicContact CD1-CB 4.2Å; I101-K131 HydrophobicContact CD1-CD 3.91Å; G127-K131 PolarHBondContact O-NZ 3.46Å; D128-K131 HydrophobicContact CB-CD 4.33Å; D128-K131 WeakPolarHBondContact O-CA 3.47Å; D128-K131 VanDerWaalsContact O-CB 3.26Å; D128-K131 WeakPolarHBondContact O-CB 3.28Å; D128-K131 PolarHBondContact O-N 3.05Å; D128-K131 WeakPolarHBondContact OD1-CD 3.37Å; D128-K131 WeakPolarHBondContact OD1-CE 3.48Å; D128-K131 IonicContact OD1-NZ 3.25Å; D128-K131 PolarHBondContact OD1-NZ 3.01Å; L129-K131 VanDerWaalsContact C-N 3.32Å; L129-K131 PolarHBondContact O-N 2.89Å; K131-R134 PolarHBondContact O-N 2.86Å; K131-G135 WeakPolarHBondContact O-CA 3.44Å; K131-G135 PolarHBondContact O-N 3.11Å
132	W	98.2	Very high	97.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-63.9	-38.5	174.7	-63.8	127.5	0	0	0	113.4	I101 L105 V118 D120 D128 L129 G135 G136 I137 I140 F171 I198	I101-W132 HydrophobicContact CB-CH2 4.35Å; I101-W132 HydrophobicContact CB-CZ3 4.49Å; I101-W132 HydrophobicContact CD1-CH2 4.1Å; I101-W132 HydrophobicContact CD1-CZ2 3.79Å; I101-W132 HydrophobicContact CG1-CH2 3.83Å; I101-W132 HydrophobicContact CG1-CZ2 4.03Å; I101-W132 HydrophobicContact CG1-CZ3 4.43Å; I101-W132 HydrophobicContact CG2-CD2 4.46Å; I101-W132 HydrophobicContact CG2-CE3 3.81Å; I101-W132 HydrophobicContact CG2-CH2 3.71Å; I101-W132 HydrophobicContact CG2-CZ2 4.36Å; I101-W132 HydrophobicContact CG2-CZ3 3.41Å; I101-W132 VanDerWaalsContact CG2-CZ3 3.41Å; L105-W132 HydrophobicContact CD1-CE3 4.42Å; L105-W132 HydrophobicContact CD1-CZ3 4.3Å; L105-W132 HydrophobicContact CD2-CZ3 4.38Å; L105-W132 HydrophobicContact CG-CZ3 4.39Å; V118-W132 HydrophobicContact CG1-CD2 4.19Å; V118-W132 HydrophobicContact CG1-CE3 4.23Å; V118-W132 HydrophobicContact CG1-CH2 3.75Å; V118-W132 HydrophobicContact CG1-CZ2 3.68Å; V118-W132 HydrophobicContact CG1-CZ3 4.01Å; V118-W132 HydrophobicContact CG2-CE3 3.96Å; V118-W132 HydrophobicContact CG2-CH2 4.39Å; V118-W132 HydrophobicContact CG2-CZ3 3.85Å; D120-W132 PolarHBondContact OD2-NE1 3.3Å; D128-W132 PolarHBondContact O-N 3.16Å; L129-W132 PolarHBondContact O-N 2.9Å; W132-G135 CarbonylContact O-C 3.54Å; W132-G135 WeakPolarHBondContact O-CA 3.32Å; W132-G135 PolarHBondContact O-N 3.27Å; W132-G136 PolarHBondContact O-N 2.84Å; W132-G136 VanDerWaalsContact O-N 3.12Å; W132-I137 HydrophobicContact CB-CD1 3.68Å; W132-I137 HydrophobicContact CB-CG1 4.2Å; W132-I137 HydrophobicContact CD2-CD1 4.32Å; W132-I137 HydrophobicContact CE3-CD1 4.28Å; W132-I137 HydrophobicContact CE3-CG2 3.99Å; W132-I137 HydrophobicContact CG-CD1 4.09Å; W132-I140 HydrophobicContact CB-CD1 4.34Å; W132-I140 HydrophobicContact CD2-CD1 4.42Å; W132-I140 HydrophobicContact CG-CD1 3.8Å; W132-F171 HydrophobicContact CB-CE1 4.01Å; W132-F171 HydrophobicContact CB-CZ 4.34Å; W132-I198 HydrophobicContact CH2-CG2 4.16Å; W132-I198 HydrophobicContact CZ3-CD1 4.29Å
133	R	96.1	Very high	97.2	Very high	69 Å²	69	27.6 Å²	27.6	26%	0.26	15%	0.151	S	C	.	.	H	α-helix	trans	-63.9	-50.6	175.7	178.5	175.3	173	173.3	1	111.1	L129 L130 G135 G136 M160 S164 E168 F171	L129-R133 PolarHBondContact O-N 3.49Å; L130-R133 PolarHBondContact O-N 3.18Å; R133-G135 PolarHBondContact O-N 3Å; R133-G136 PolarHBondContact O-N 2.86Å; R133-M160 HydrophobicContact CB-CE 4.18Å; R133-M160 HydrophobicContact CB-SD 3.97Å; R133-M160 WeakPolarHBondContact CD-SD 3.39Å; R133-M160 HydrophobicContact CG-SD 4.33Å; R133-M160 PolarHBondContact NH1-O 2.92Å; R133-M160 VanDerWaalsContact NH1-O 3.14Å; R133-S164 VanDerWaalsContact CZ-OG 3.3Å; R133-S164 PolarHBondContact NH1-OG 3.23Å; R133-S164 PolarHBondContact NH2-OG 2.79Å; R133-S164 VanDerWaalsContact NH2-OG 3.1Å; R133-E168 IonicContact CZ-OE2 3.96Å; R133-E168 IonicContact NH2-OE2 2.63Å; R133-E168 PolarHBondContact NH2-OE2 2.96Å; R133-F171 HydrophobicContact CB-CE1 3.9Å
134	R	94.3	Very high	97.2	Very high	182 Å²	182	27.9 Å²	27.9	69%	0.687	15%	0.152	S	C	*	.	H	α-helix	trans	-61.6	-32.5	174.9	-72.4	179.9	174.9	-170.7	-0.3	111.8	L130 K131 G136	L130-R134 HydrophobicContact CD1-CG 4.46Å; L130-R134 WeakPolarHBondContact O-CB 3.36Å; L130-R134 WeakPolarHBondContact O-CG 3.26Å; L130-R134 PolarHBondContact O-N 3.03Å; K131-R134 PolarHBondContact O-N 2.86Å; R134-G136 PolarHBondContact O-N 3.08Å
135	G	95.4	Very high	97.3	Very high	9 Å²	9	29.3 Å²	29.3	9%	0.093	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-15.2	173.9	0	0	0	0	0	113.8	R109 K131 W132 R133 I137	R109-G135 PolarHBondContact NH1-O 3.07Å; R109-G135 PolarHBondContact NH2-O 2.8Å; K131-G135 WeakPolarHBondContact O-CA 3.44Å; K131-G135 PolarHBondContact O-N 3.11Å; W132-G135 CarbonylContact O-C 3.54Å; W132-G135 WeakPolarHBondContact O-CA 3.32Å; W132-G135 PolarHBondContact O-N 3.27Å; R133-G135 PolarHBondContact O-N 3Å; G135-I137 PolarHBondContact O-N 2.85Å
136	G	95.4	Very high	97.2	Very high	41 Å²	41	27.7 Å²	27.7	42%	0.423	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	38.7	176.2	0	0	0	0	0	113.8	R109 W132 R133 R134	R109-G136 PolarHBondContact NH2-O 2.85Å; W132-G136 PolarHBondContact O-N 2.84Å; W132-G136 VanDerWaalsContact O-N 3.12Å; R133-G136 PolarHBondContact O-N 2.86Å; R134-G136 PolarHBondContact O-N 3.08Å
137	I	97.9	Very high	97.2	Very high	9 Å²	9	33.6 Å²	33.6	5%	0.046	18%	0.175	C	C	.	.			trans	-72	168.7	174.9	68.7	170.2	0	0	0	111.1	L105 V116 V118 W132 G135 I140 F171	L105-I137 HydrophobicContact CD2-CG2 3.66Å; V116-I137 HydrophobicContact CB-CB 4.28Å; V116-I137 HydrophobicContact CB-CG2 4.19Å; V116-I137 HydrophobicContact CG1-CB 4.43Å; V116-I137 HydrophobicContact CG1-CG2 3.97Å; V118-I137 HydrophobicContact CB-CD1 4.03Å; V118-I137 HydrophobicContact CG2-CB 4.32Å; V118-I137 HydrophobicContact CG2-CD1 3.76Å; V118-I137 HydrophobicContact CG2-CG2 3.89Å; W132-I137 HydrophobicContact CB-CD1 3.68Å; W132-I137 HydrophobicContact CB-CG1 4.2Å; W132-I137 HydrophobicContact CD2-CD1 4.32Å; W132-I137 HydrophobicContact CE3-CD1 4.28Å; W132-I137 HydrophobicContact CE3-CG2 3.99Å; W132-I137 HydrophobicContact CG-CD1 4.09Å; G135-I137 PolarHBondContact O-N 2.85Å; I137-I140 HydrophobicContact CD1-CB 3.87Å; I137-I140 HydrophobicContact CD1-CD1 4.25Å; I137-I140 HydrophobicContact CD1-CG1 4.39Å; I137-F171 HydrophobicContact CD1-CB 4.45Å; I137-F171 HydrophobicContact CD1-CD1 4.12Å; I137-F171 HydrophobicContact CD1-CG 4.17Å; I137-F171 HydrophobicContact CG1-CB 3.84Å; I137-F171 HydrophobicContact CG1-CD1 3.61Å; I137-F171 HydrophobicContact CG1-CE1 4.36Å; I137-F171 HydrophobicContact CG1-CG 3.84Å
138	S	97.9	Very high	97.1	Very high	29 Å²	29	34.8 Å²	34.8	20%	0.203	18%	0.176	C	C	.	.	S	Bend	trans	-102.2	-37	-179.6	-64.8	0	0	0	0	113.4	N115 V116 F171 S172	N115-S138 WeakPolarHBondContact CA-OG 3.26Å; V116-S138 PolarHBondContact O-N 2.79Å; S138-F171 VanDerWaalsContact O-CA 3.28Å; S138-F171 WeakPolarHBondContact O-CA 3.49Å; S138-F171 WeakPolarHBondContact O-CB 3.3Å; S138-S172 PolarHBondContact O-N 2.86Å; S138-S172 PolarHBondContact O-OG 2.8Å
139	H	98.6	Very high	97	Very high	35 Å²	35	34.4 Å²	34.4	16%	0.162	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	147.6	-178.8	-175.6	62	0	0	0	111	V116 S117 V118 S172	V116-H139 PolarHBondContact O-N 2.66Å; S117-H139 WeakPolarHBondContact CA-O 3.32Å; V118-H139 PolarHBondContact N-O 3.1Å; H139-S172 CarbonylContact C-O 3.58Å; H139-S172 VanDerWaalsContact CA-O 3.32Å; H139-S172 WeakPolarHBondContact CA-O 3.47Å; H139-S172 PolarHBondContact ND1-O 2.93Å; H139-S172 PolarHBondContact ND1-OG 3.38Å
140	I	98.8	Very high	96.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	141.5	173	-165.9	168.5	0	0	0	111.8	V118 D120 W132 I137 F171 S172 A173 Q174	V118-I140 HydrophobicContact CB-CG1 4.14Å; V118-I140 HydrophobicContact CG1-CD1 4.41Å; V118-I140 HydrophobicContact CG1-CG1 4.29Å; V118-I140 CarbonylContact O-C 3.53Å; V118-I140 VanDerWaalsContact O-CA 3.25Å; V118-I140 WeakPolarHBondContact O-CA 3.4Å; D120-I140 HydrophobicContact CB-CD1 4.11Å; D120-I140 HydrophobicContact CB-CG1 4.42Å; W132-I140 HydrophobicContact CB-CD1 4.34Å; W132-I140 HydrophobicContact CD2-CD1 4.42Å; W132-I140 HydrophobicContact CG-CD1 3.8Å; I137-I140 HydrophobicContact CD1-CB 3.87Å; I137-I140 HydrophobicContact CD1-CD1 4.25Å; I137-I140 HydrophobicContact CD1-CG1 4.39Å; I140-F171 HydrophobicContact CB-CD2 4.29Å; I140-F171 HydrophobicContact CB-CE2 4.41Å; I140-F171 HydrophobicContact CG2-CD2 3.46Å; I140-F171 VanDerWaalsContact CG2-CD2 3.46Å; I140-F171 HydrophobicContact CG2-CE2 3.37Å; I140-F171 HydrophobicContact CG2-CG 4.49Å; I140-F171 HydrophobicContact CG2-CZ 4.35Å; I140-S172 PolarHBondContact N-O 3.11Å; I140-A173 HydrophobicContact CG2-CB 3.66Å; I140-A173 CarbonylContact O-C 3.55Å; I140-A173 VanDerWaalsContact O-CA 3.23Å; I140-A173 WeakPolarHBondContact O-CA 3.42Å; I140-Q174 PolarHBondContact O-N 2.86Å
141	V	98.9	Very high	97	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	121.7	163.6	178.1	0	0	0	0	107.5	V118 L119 D120 Q174 I176 L189 L194 F196	V118-V141 PolarHBondContact O-N 3.14Å; L119-V141 HydrophobicContact CD1-CB 4.03Å; L119-V141 HydrophobicContact CD1-CG1 3.95Å; D120-V141 PolarHBondContact N-O 3.34Å; V141-Q174 HydrophobicContact CG2-CB 4.15Å; V141-I176 HydrophobicContact CG1-CD1 3.69Å; V141-I176 HydrophobicContact CG1-CG1 4.33Å; V141-L189 HydrophobicContact CG1-CD2 4.05Å; V141-L189 HydrophobicContact CG2-CD2 4.1Å; V141-L194 HydrophobicContact CG2-CD2 3.73Å; V141-F196 HydrophobicContact CB-CE1 4.08Å; V141-F196 HydrophobicContact CB-CZ 4.22Å; V141-F196 HydrophobicContact CG2-CE1 3.69Å; V141-F196 HydrophobicContact CG2-CZ 3.86Å
142	C	98.9	Very high	96.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	113.1	176.6	-69.9	0	0	0	0	108.4	C123 Q174 F175 I176	C123-C142 HydrophobicContact CB-CB 3.88Å; C142-Q174 PolarHBondContact N-O 3.09Å; C142-F175 HydrophobicContact CB-CD1 3.75Å; C142-F175 HydrophobicContact CB-CE1 4Å; C142-F175 WeakPolarHBondContact O-CA 3.23Å; C142-I176 PolarHBondContact O-N 3.26Å
143	A	98.7	Very high	96.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	136.4	-179.5	0	0	0	0	0	111.1	D120 G122 C123 I176 L185	D120-A143 PolarHBondContact O-N 2.87Å; G122-A143 VanDerWaalsContact CA-O 3.27Å; G122-A143 WeakPolarHBondContact CA-O 3.3Å; G122-A143 PolarHBondContact N-O 3.37Å; C123-A143 PolarHBondContact N-O 3.34Å; A143-I176 VanDerWaalsContact CA-O 3.29Å; A143-I176 WeakPolarHBondContact CA-O 3.29Å; A143-I176 HydrophobicContact CB-CB 4.35Å; A143-L185 HydrophobicContact CB-CD1 4.05Å; A143-L185 HydrophobicContact CB-CD2 4.19Å
144	D	98.5	Very high	97	Very high	16 Å²	16	36.3 Å²	36.3	9%	0.086	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	155.1	175.1	-157.4	-72.4	0	0	0	110.7	G122 C123 G124 A146 V150 I176 A177 S178	G122-D144 VanDerWaalsContact CA-OD2 3.3Å; G122-D144 WeakPolarHBondContact CA-OD2 3.28Å; C123-D144 PolarHBondContact N-OD2 3.43Å; G124-D144 VanDerWaalsContact CA-OD2 3.28Å; G124-D144 WeakPolarHBondContact CA-OD2 3.36Å; G124-D144 PolarHBondContact N-OD2 3.06Å; D144-A146 VanDerWaalsContact C-N 3.33Å; D144-A146 WeakPolarHBondContact OD1-CB 3.36Å; D144-A146 PolarHBondContact OD1-N 3.1Å; D144-V150 HydrophobicContact CB-CG2 3.59Å; D144-I176 PolarHBondContact N-O 2.92Å; D144-I176 VanDerWaalsContact N-O 3.11Å; D144-A177 CarbonylContact O-C 3.52Å; D144-A177 WeakPolarHBondContact O-CA 3.19Å; D144-S178 CarbonylContact C-O 3.52Å; D144-S178 PolarHBondContact O-N 3.5Å
145	I	96.9	Very high	97.2	Very high	48 Å²	48	31.5 Å²	31.5	25%	0.246	17%	0.173	C	C	.	.	S	Bend	trans	-73.6	-28.7	176	-166.8	171.7	0	0	0	111.8	G63 A67 E147 S178 D179	G63-I145 WeakPolarHBondContact O-CD1 3.42Å; A67-I145 HydrophobicContact CB-CD1 4.49Å; A67-I145 HydrophobicContact CB-CG1 4.12Å; A67-I145 HydrophobicContact CB-CG2 4.06Å; I145-E147 PolarHBondContact O-N 3.37Å; I145-S178 WeakPolarHBondContact CA-O 3.19Å; I145-S178 PolarHBondContact N-O 2.97Å; I145-D179 HydrophobicContact CD1-CB 3.91Å; I145-D179 HydrophobicContact CG1-CB 4.05Å
146	A	94.7	Very high	97.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.184	C	C	.	.			trans	-89	98.9	-176.3	0	0	0	0	0	110.9	A67 N71 D144 V148 S149 V150	A67-A146 HydrophobicContact CB-CB 4.48Å; N71-A146 WeakPolarHBondContact OD1-CB 3.38Å; D144-A146 VanDerWaalsContact C-N 3.33Å; D144-A146 WeakPolarHBondContact OD1-CB 3.36Å; D144-A146 PolarHBondContact OD1-N 3.1Å; A146-V148 VanDerWaalsContact C-N 3.29Å; A146-V148 PolarHBondContact O-N 2.84Å; A146-S149 WeakPolarHBondContact O-CA 3.31Å; A146-S149 VanDerWaalsContact O-CB 3.3Å; A146-S149 WeakPolarHBondContact O-CB 3.3Å; A146-S149 PolarHBondContact O-N 3.37Å; A146-V150 PolarHBondContact O-N 2.8Å
147	E	95.2	Very high	97.3	Very high	124 Å²	124	33.6 Å²	33.6	58%	0.579	17%	0.165	S	C	*	.	H	α-helix	trans	-51.5	-43.6	-178.7	-175.1	175.4	-161.4	0	0	113.3	I145 S149 V150 D151 A177	I145-E147 PolarHBondContact O-N 3.37Å; E147-S149 PolarHBondContact O-N 2.75Å; E147-V150 WeakPolarHBondContact O-CB 3.25Å; E147-V150 PolarHBondContact O-N 3.06Å; E147-V150 VanDerWaalsContact O-N 3.09Å; E147-D151 PolarHBondContact O-N 3.29Å; E147-A177 HydrophobicContact CB-CB 4.05Å; E147-A177 HydrophobicContact CG-CB 4.12Å
148	V	94.9	Very high	97.3	Very high	58 Å²	58	37.3 Å²	37.3	35%	0.352	18%	0.182	S	C	.	.	H	α-helix	trans	-62	-35.9	177.5	-177.7	0	0	0	0	111.2	N71 A146 D151 Q152	N71-V148 HydrophobicContact CB-CB 4.23Å; N71-V148 HydrophobicContact CB-CG2 4.04Å; N71-V148 VanDerWaalsContact OD1-CB 3.25Å; N71-V148 WeakPolarHBondContact OD1-CB 3.49Å; N71-V148 PolarHBondContact OD1-N 2.81Å; A146-V148 VanDerWaalsContact C-N 3.29Å; A146-V148 PolarHBondContact O-N 2.84Å; V148-D151 PolarHBondContact O-N 3.21Å; V148-Q152 WeakPolarHBondContact O-CB 3.39Å; V148-Q152 VanDerWaalsContact O-CG 3.25Å; V148-Q152 WeakPolarHBondContact O-CG 3.46Å; V148-Q152 PolarHBondContact O-N 2.69Å
149	S	94.8	Very high	97.1	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.007	19%	0.193	C	C	.	.	H	α-helix	trans	-68.4	-39.8	176	-63	0	0	0	0	111.5	G124 A146 E147 Q152 C153	G124-S149 CarbonylContact O-C 3.49Å; G124-S149 VanDerWaalsContact O-O 3.04Å; A146-S149 WeakPolarHBondContact O-CA 3.31Å; A146-S149 VanDerWaalsContact O-CB 3.3Å; A146-S149 WeakPolarHBondContact O-CB 3.3Å; A146-S149 PolarHBondContact O-N 3.37Å; E147-S149 PolarHBondContact O-N 2.75Å; S149-Q152 PolarHBondContact O-N 3.34Å; S149-C153 WeakPolarHBondContact O-CB 3.48Å; S149-C153 PolarHBondContact O-N 2.86Å
150	V	97.4	Very high	96.9	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.006	19%	0.191	C	C	.	.	H	α-helix	trans	-62.5	-44.1	174.9	178.6	0	0	0	0	111.1	D144 A146 E147 Q152 C153 R154 F175 A177	D144-V150 HydrophobicContact CB-CG2 3.59Å; A146-V150 PolarHBondContact O-N 2.8Å; E147-V150 WeakPolarHBondContact O-CB 3.25Å; E147-V150 PolarHBondContact O-N 3.06Å; E147-V150 VanDerWaalsContact O-N 3.09Å; V150-Q152 PolarHBondContact O-N 3.04Å; V150-C153 WeakPolarHBondContact O-CB 3.47Å; V150-C153 PolarHBondContact O-N 3.15Å; V150-R154 PolarHBondContact O-N 3.06Å; V150-F175 HydrophobicContact CG1-CB 3.73Å; V150-A177 HydrophobicContact CG2-CB 4.26Å
151	D	97.5	Very high	96.6	Very high	63 Å²	63	44.1 Å²	44.1	34%	0.337	21%	0.21	S	C	.	.	H	α-helix	trans	-65.2	-38.4	177.3	-75.4	-16.1	0	0	0	112.4	E147 V148 R154 T155	E147-D151 PolarHBondContact O-N 3.29Å; V148-D151 PolarHBondContact O-N 3.21Å; D151-R154 PolarHBondContact O-N 3.23Å; D151-R154 IonicContact OD1-CZ 2.8Å; D151-R154 IonicContact OD1-NH1 3.78Å; D151-R154 PolarHBondContact OD1-NH1 3.48Å; D151-R154 IonicContact OD1-NH2 2.66Å; D151-T155 WeakPolarHBondContact O-CB 3.45Å; D151-T155 PolarHBondContact O-N 3.32Å; D151-T155 PolarHBondContact O-OG1 2.8Å
152	Q	96	Very high	96.3	Very high	48 Å²	48	53 Å²	53	22%	0.224	24%	0.244	C	C	.	.	H	α-helix	trans	-65.3	-41.2	172.5	-74.9	173	-12.5	0	0	111.7	K125 V148 S149 V150 T155 R156	K125-Q152 HydrophobicContact CB-CB 4.31Å; K125-Q152 HydrophobicContact CG-CB 4.38Å; K125-Q152 VanDerWaalsContact CG-OE1 3.23Å; V148-Q152 WeakPolarHBondContact O-CB 3.39Å; V148-Q152 VanDerWaalsContact O-CG 3.25Å; V148-Q152 WeakPolarHBondContact O-CG 3.46Å; V148-Q152 PolarHBondContact O-N 2.69Å; S149-Q152 PolarHBondContact O-N 3.34Å; V150-Q152 PolarHBondContact O-N 3.04Å; Q152-T155 PolarHBondContact O-N 3.4Å; Q152-R156 WeakPolarHBondContact O-CB 3.25Å; Q152-R156 PolarHBondContact O-N 3.34Å
153	C	97.9	Very high	95.8	Very high	0 Å²	0	59 Å²	59	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-59.1	-46.7	173.3	-171.2	0	0	0	0	111.3	G124 G126 L129 S149 V150 R156 Y157 F175	G124-C153 WeakPolarHBondContact O-CB 3.29Å; G126-C153 WeakPolarHBondContact CA-SG 3.41Å; L129-C153 WeakPolarHBondContact CD1-O 3.41Å; S149-C153 WeakPolarHBondContact O-CB 3.48Å; S149-C153 PolarHBondContact O-N 2.86Å; V150-C153 WeakPolarHBondContact O-CB 3.47Å; V150-C153 PolarHBondContact O-N 3.15Å; C153-R156 PolarHBondContact O-N 2.93Å; C153-Y157 PolarHBondContact O-N 2.93Å; C153-F175 HydrophobicContact CB-CD1 4.35Å; C153-F175 HydrophobicContact CB-CE1 4.31Å
154	R	98.4	Very high	95.2	Very high	98 Å²	98	60 Å²	60	37%	0.37	28%	0.277	S	S	.	.	H	α-helix	trans	-58.8	-49.6	175.7	-173.1	-175.3	-59.5	124.2	3.2	111.6	V150 D151 R156 Y157 E158 F175	V150-R154 PolarHBondContact O-N 3.06Å; D151-R154 PolarHBondContact O-N 3.23Å; D151-R154 IonicContact OD1-CZ 2.8Å; D151-R154 IonicContact OD1-NH1 3.78Å; D151-R154 PolarHBondContact OD1-NH1 3.48Å; D151-R154 IonicContact OD1-NH2 2.66Å; R154-R156 VanDerWaalsContact C-N 3.32Å; R154-R156 PolarHBondContact O-N 3.49Å; R154-Y157 PolarHBondContact O-N 3.34Å; R154-E158 PolarHBondContact O-N 3.07Å; R154-F175 HydrophobicContact CB-CB 4.48Å; R154-F175 HydrophobicContact CB-CD1 3.93Å; R154-F175 HydrophobicContact CB-CD2 3.92Å; R154-F175 HydrophobicContact CB-CE1 4.15Å; R154-F175 HydrophobicContact CB-CE2 4.12Å; R154-F175 HydrophobicContact CB-CG 3.83Å; R154-F175 HydrophobicContact CB-CZ 4.25Å; R154-F175 HydrophobicContact CG-CD2 3.67Å; R154-F175 HydrophobicContact CG-CE2 3.83Å; R154-F175 HydrophobicContact CG-CG 4.09Å; R154-F175 HydrophobicContact CG-CZ 4.38Å
155	T	97.4	Very high	94.3	Very high	81 Å²	81	65.9 Å²	65.9	50%	0.497	30%	0.304	S	S	.	.	H	α-helix	trans	-57.4	-46.6	178.4	-58.8	0	0	0	0	111.2	D151 Q152 Y157 E158 E159	D151-T155 WeakPolarHBondContact O-CB 3.45Å; D151-T155 PolarHBondContact O-N 3.32Å; D151-T155 PolarHBondContact O-OG1 2.8Å; Q152-T155 PolarHBondContact O-N 3.4Å; T155-Y157 VanDerWaalsContact C-N 3.33Å; T155-Y157 PolarHBondContact O-N 3.49Å; T155-E158 PolarHBondContact O-N 3.28Å; T155-E159 WeakPolarHBondContact O-CG 3.37Å; T155-E159 PolarHBondContact O-N 3.08Å
156	R	96.3	Very high	93.1	Very high	87 Å²	87	69.4 Å²	69.4	33%	0.328	33%	0.332	S	S	.	.	H	α-helix	trans	-62	-39.5	178.1	-175.8	173.9	-178.9	170	0.9	112.7	G126 L129 Q152 C153 R154 M160	G126-R156 PolarHBondContact O-NE 3.11Å; G126-R156 PolarHBondContact O-NH1 2.82Å; L129-R156 HydrophobicContact CD1-CB 4.09Å; L129-R156 HydrophobicContact CD1-CG 4.03Å; Q152-R156 WeakPolarHBondContact O-CB 3.25Å; Q152-R156 PolarHBondContact O-N 3.34Å; C153-R156 PolarHBondContact O-N 2.93Å; R154-R156 VanDerWaalsContact C-N 3.32Å; R154-R156 PolarHBondContact O-N 3.49Å; R156-M160 VanDerWaalsContact O-CB 3.3Å; R156-M160 WeakPolarHBondContact O-CB 3.14Å; R156-M160 PolarHBondContact O-N 2.84Å; R156-M160 VanDerWaalsContact O-N 3.08Å
157	Y	97.8	Very high	92.1	Very high	7 Å²	7	76.7 Å²	76.7	3%	0.027	37%	0.371	C	S	.	.	H	α-helix	trans	-65.5	-45.9	174.2	164.8	-98.4	0	0	0	112	C153 R154 T155 E159 M160 K161 I170 F171 A173 F175	C153-Y157 PolarHBondContact O-N 2.93Å; R154-Y157 PolarHBondContact O-N 3.34Å; T155-Y157 VanDerWaalsContact C-N 3.33Å; T155-Y157 PolarHBondContact O-N 3.49Å; Y157-E159 VanDerWaalsContact C-N 3.34Å; Y157-E159 PolarHBondContact O-N 3.44Å; Y157-M160 HydrophobicContact CD2-CE 4.15Å; Y157-M160 CarbonylContact O-C 3.58Å; Y157-M160 WeakPolarHBondContact O-CA 3.46Å; Y157-M160 WeakPolarHBondContact O-CB 3.26Å; Y157-M160 PolarHBondContact O-N 3.35Å; Y157-M160 VanDerWaalsContact O-N 3.11Å; Y157-K161 HydrophobicContact CE1-CD 4.1Å; Y157-K161 WeakPolarHBondContact O-CB 3.35Å; Y157-K161 PolarHBondContact O-N 3.02Å; Y157-I170 HydrophobicContact CD2-CD1 4.3Å; Y157-I170 HydrophobicContact CE2-CD1 3.95Å; Y157-I170 HydrophobicContact CE2-CG1 4.19Å; Y157-F171 HydrophobicContact CD2-CD2 4.28Å; Y157-F171 AromaticContact CD2-CE2 3.54Å; Y157-F171 HydrophobicContact CD2-CE2 3.54Å; Y157-F171 HydrophobicContact CD2-CZ 4.15Å; Y157-F171 AromaticContact CE2-CD2 3.74Å; Y157-F171 HydrophobicContact CE2-CD2 3.74Å; Y157-F171 AromaticContact CE2-CE2 3.48Å; Y157-F171 HydrophobicContact CE2-CE2 3.48Å; Y157-F171 VanDerWaalsContact CE2-CE2 3.48Å; Y157-F171 HydrophobicContact CE2-CZ 4.33Å; Y157-F171 WeakPolarHBondContact CE2-O 3.4Å; Y157-F171 PolarHBondContact OH-O 2.74Å; Y157-A173 HydrophobicContact CD1-CB 4.11Å; Y157-A173 HydrophobicContact CD2-CB 4.03Å; Y157-A173 HydrophobicContact CE1-CB 3.8Å; Y157-A173 HydrophobicContact CE2-CB 3.73Å; Y157-A173 HydrophobicContact CG-CB 4.2Å; Y157-F175 AromaticContact CD1-CE2 3.76Å; Y157-F175 HydrophobicContact CD1-CE2 3.76Å; Y157-F175 AromaticContact CD1-CZ 3.64Å; Y157-F175 HydrophobicContact CD1-CZ 3.64Å; Y157-F175 HydrophobicContact CE1-CE2 4.28Å; Y157-F175 HydrophobicContact CE1-CZ 4.46Å; Y157-F175 HydrophobicContact CG-CE2 4.26Å; Y157-F175 AromaticContact CG-CZ 3.66Å; Y157-F175 HydrophobicContact CG-CZ 3.66Å
158	E	96.8	Very high	91.2	Very high	87 Å²	87	75.6 Å²	75.6	41%	0.407	37%	0.366	S	S	.	.	H	α-helix	trans	-64.5	-37.8	179.4	-70.9	-56.8	150.2	0	0	112.1	R154 T155 M160 K161 R162	R154-E158 PolarHBondContact O-N 3.07Å; T155-E158 PolarHBondContact O-N 3.28Å; E158-M160 VanDerWaalsContact C-N 3.34Å; E158-M160 PolarHBondContact O-N 2.92Å; E158-K161 PolarHBondContact O-N 2.83Å; E158-R162 WeakPolarHBondContact O-CB 3.5Å; E158-R162 PolarHBondContact O-N 3.23Å
159	E	94.6	Very high	90.4	Very high	93 Å²	93	81.8 Å²	81.8	44%	0.435	39%	0.388	S	S	.	.	H	α-helix	trans	-61.7	-43.5	170.6	-74.9	-172.3	-168.6	0	0	112.5	T155 Y157 K161 R162 K163	T155-E159 WeakPolarHBondContact O-CG 3.37Å; T155-E159 PolarHBondContact O-N 3.08Å; Y157-E159 VanDerWaalsContact C-N 3.34Å; Y157-E159 PolarHBondContact O-N 3.44Å; E159-K161 VanDerWaalsContact C-N 3.3Å; E159-K161 PolarHBondContact O-N 3.16Å; E159-R162 PolarHBondContact O-N 3.43Å; E159-K163 WeakPolarHBondContact O-CB 3.41Å; E159-K163 WeakPolarHBondContact O-CG 3.42Å; E159-K163 PolarHBondContact O-N 2.84Å; E159-K163 IonicContact OE2-NZ 2.86Å
160	M	94.2	Very high	90.3	Very high	21 Å²	21	83.2 Å²	83.2	10%	0.103	40%	0.396	C	S	.	.	H	α-helix	trans	-62.6	-39.9	178.2	-174.4	172.1	66	0	0	111	L129 R133 R156 Y157 E158 S164 I170 F171	L129-M160 HydrophobicContact CB-CE 4.09Å; R133-M160 HydrophobicContact CB-CE 4.18Å; R133-M160 HydrophobicContact CB-SD 3.97Å; R133-M160 WeakPolarHBondContact CD-SD 3.39Å; R133-M160 HydrophobicContact CG-SD 4.33Å; R133-M160 PolarHBondContact NH1-O 2.92Å; R133-M160 VanDerWaalsContact NH1-O 3.14Å; R156-M160 VanDerWaalsContact O-CB 3.3Å; R156-M160 WeakPolarHBondContact O-CB 3.14Å; R156-M160 PolarHBondContact O-N 2.84Å; R156-M160 VanDerWaalsContact O-N 3.08Å; Y157-M160 HydrophobicContact CD2-CE 4.15Å; Y157-M160 CarbonylContact O-C 3.58Å; Y157-M160 WeakPolarHBondContact O-CA 3.46Å; Y157-M160 WeakPolarHBondContact O-CB 3.26Å; Y157-M160 PolarHBondContact O-N 3.35Å; Y157-M160 VanDerWaalsContact O-N 3.11Å; E158-M160 VanDerWaalsContact C-N 3.34Å; E158-M160 PolarHBondContact O-N 2.92Å; M160-S164 PolarHBondContact O-N 3.08Å; M160-S164 PolarHBondContact O-OG 2.98Å; M160-I170 HydrophobicContact CB-CD1 4.42Å; M160-I170 HydrophobicContact CE-CD1 3.86Å; M160-I170 HydrophobicContact CG-CD1 4.08Å; M160-F171 HydrophobicContact CE-CE1 4.04Å; M160-F171 HydrophobicContact CE-CE2 4.44Å; M160-F171 HydrophobicContact CE-CZ 3.59Å
161	K	93.3	Very high	90.3	Very high	94 Å²	94	83.4 Å²	83.4	41%	0.409	40%	0.396	S	S	.	.	H	α-helix	trans	-65.9	-49.2	174.9	-177.9	167.4	173.9	-162.6	0	111.8	Y157 E158 E159 K163 S164 I170	Y157-K161 HydrophobicContact CE1-CD 4.1Å; Y157-K161 WeakPolarHBondContact O-CB 3.35Å; Y157-K161 PolarHBondContact O-N 3.02Å; E158-K161 PolarHBondContact O-N 2.83Å; E159-K161 VanDerWaalsContact C-N 3.3Å; E159-K161 PolarHBondContact O-N 3.16Å; K161-K163 VanDerWaalsContact C-N 3.27Å; K161-K163 PolarHBondContact O-N 3.38Å; K161-S164 VanDerWaalsContact O-CB 3.28Å; K161-S164 WeakPolarHBondContact O-CB 3.26Å; K161-S164 PolarHBondContact O-N 3.41Å; K161-I170 HydrophobicContact CB-CD1 3.85Å; K161-I170 HydrophobicContact CB-CG2 4.44Å; K161-I170 HydrophobicContact CD-CG2 4.37Å; K161-I170 HydrophobicContact CG-CG2 4Å
162	R	92.3	Very high	90.3	Very high	187 Å²	187	83.4 Å²	83.4	71%	0.706	40%	0.401	S	S	*	.	H	α-helix	trans	-59.6	-34.6	178.4	-170.8	-175.2	66.5	79.4	-5.1	113.1	E158 E159 S164	E158-R162 WeakPolarHBondContact O-CB 3.5Å; E158-R162 PolarHBondContact O-N 3.23Å; E159-R162 PolarHBondContact O-N 3.43Å; R162-S164 VanDerWaalsContact C-N 3.32Å
163	K	88.9	Confident	90.4	Very high	125 Å²	125	82.3 Å²	82.3	54%	0.543	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-11.9	176.9	-70.3	169.8	-179.7	163.5	0	113.3	E159 K161	E159-K163 WeakPolarHBondContact O-CB 3.41Å; E159-K163 WeakPolarHBondContact O-CG 3.42Å; E159-K163 PolarHBondContact O-N 2.84Å; E159-K163 IonicContact OE2-NZ 2.86Å; K161-K163 VanDerWaalsContact C-N 3.27Å; K161-K163 PolarHBondContact O-N 3.38Å
164	S	85.8	Confident	90.5	Very high	22 Å²	22	83 Å²	83	15%	0.154	40%	0.404	C	S	.	.	S	Bend	trans	-74.5	136.7	179.9	-57.8	0	0	0	0	110.2	R133 M160 K161 R162	R133-S164 VanDerWaalsContact CZ-OG 3.3Å; R133-S164 PolarHBondContact NH1-OG 3.23Å; R133-S164 PolarHBondContact NH2-OG 2.79Å; R133-S164 VanDerWaalsContact NH2-OG 3.1Å; M160-S164 PolarHBondContact O-N 3.08Å; M160-S164 PolarHBondContact O-OG 2.98Å; K161-S164 VanDerWaalsContact O-CB 3.28Å; K161-S164 WeakPolarHBondContact O-CB 3.26Å; K161-S164 PolarHBondContact O-N 3.41Å; R162-S164 VanDerWaalsContact C-N 3.32Å
165	H	79.5	Confident	90.5	Very high	139 Å²	139	79.7 Å²	79.7	64%	0.644	39%	0.392	S	S	*	.			trans	-72	158.8	177.3	-69.7	30.7	0	0	0	110.1	N167 E168	H165-N167 PolarHBondContact O-N 3.14Å; H165-E168 HydrophobicContact CB-CG 4.4Å; H165-E168 PolarHBondContact O-N 3.43Å
166	S	72.3	Confident	90.5	Very high	122 Å²	122	76.3 Å²	76.3	85%	0.853	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-26	179.8	57.6	0	0	0	0	114
167	N	72.8	Confident	90.6	Very high	153 Å²	153	74 Å²	74	82%	0.818	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-5.1	-177.9	-60	-0.1	0	0	0	112.9	H165	H165-N167 PolarHBondContact O-N 3.14Å
168	E	75.8	Confident	90.5	Very high	100 Å²	100	73.9 Å²	73.9	47%	0.467	37%	0.371	S	S	.	.	S	Bend	trans	-95	108.9	176	-71	-173.3	179.6	0	0	110.2	R133 H165 I170	R133-E168 IonicContact CZ-OE2 3.96Å; R133-E168 IonicContact NH2-OE2 2.63Å; R133-E168 PolarHBondContact NH2-OE2 2.96Å; H165-E168 HydrophobicContact CB-CG 4.4Å; H165-E168 PolarHBondContact O-N 3.43Å; E168-I170 PolarHBondContact O-N 3.26Å
169	K	78.8	Confident	90.6	Very high	189 Å²	189	70.7 Å²	70.7	82%	0.822	36%	0.356	S	S	*	.			trans	-73.6	110.3	174.8	-167	176.3	-178.3	-177.2	0	109.6
170	I	93.1	Very high	90.7	Very high	31 Å²	31	66.6 Å²	66.6	16%	0.159	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-87.2	147.9	165.2	-163.3	169.7	0	0	0	109.5	Y157 M160 K161 E168	Y157-I170 HydrophobicContact CD2-CD1 4.3Å; Y157-I170 HydrophobicContact CE2-CD1 3.95Å; Y157-I170 HydrophobicContact CE2-CG1 4.19Å; M160-I170 HydrophobicContact CB-CD1 4.42Å; M160-I170 HydrophobicContact CE-CD1 3.86Å; M160-I170 HydrophobicContact CG-CD1 4.08Å; K161-I170 HydrophobicContact CB-CD1 3.85Å; K161-I170 HydrophobicContact CB-CG2 4.44Å; K161-I170 HydrophobicContact CD-CG2 4.37Å; K161-I170 HydrophobicContact CG-CG2 4Å; E168-I170 PolarHBondContact O-N 3.26Å
171	F	96.9	Very high	90.9	Very high	4 Å²	4	66.1 Å²	66.1	2%	0.018	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-63.3	153.3	173.2	51.3	-100	0	0	0	111.2	L129 W132 R133 I137 S138 I140 Y157 M160 A173	L129-F171 HydrophobicContact CD2-CE2 4.36Å; L129-F171 HydrophobicContact CD2-CZ 4.16Å; W132-F171 HydrophobicContact CB-CE1 4.01Å; W132-F171 HydrophobicContact CB-CZ 4.34Å; R133-F171 HydrophobicContact CB-CE1 3.9Å; I137-F171 HydrophobicContact CD1-CB 4.45Å; I137-F171 HydrophobicContact CD1-CD1 4.12Å; I137-F171 HydrophobicContact CD1-CG 4.17Å; I137-F171 HydrophobicContact CG1-CB 3.84Å; I137-F171 HydrophobicContact CG1-CD1 3.61Å; I137-F171 HydrophobicContact CG1-CE1 4.36Å; I137-F171 HydrophobicContact CG1-CG 3.84Å; S138-F171 VanDerWaalsContact O-CA 3.28Å; S138-F171 WeakPolarHBondContact O-CA 3.49Å; S138-F171 WeakPolarHBondContact O-CB 3.3Å; I140-F171 HydrophobicContact CB-CD2 4.29Å; I140-F171 HydrophobicContact CB-CE2 4.41Å; I140-F171 HydrophobicContact CG2-CD2 3.46Å; I140-F171 VanDerWaalsContact CG2-CD2 3.46Å; I140-F171 HydrophobicContact CG2-CE2 3.37Å; I140-F171 HydrophobicContact CG2-CG 4.49Å; I140-F171 HydrophobicContact CG2-CZ 4.35Å; Y157-F171 HydrophobicContact CD2-CD2 4.28Å; Y157-F171 AromaticContact CD2-CE2 3.54Å; Y157-F171 HydrophobicContact CD2-CE2 3.54Å; Y157-F171 HydrophobicContact CD2-CZ 4.15Å; Y157-F171 AromaticContact CE2-CD2 3.74Å; Y157-F171 HydrophobicContact CE2-CD2 3.74Å; Y157-F171 AromaticContact CE2-CE2 3.48Å; Y157-F171 HydrophobicContact CE2-CE2 3.48Å; Y157-F171 VanDerWaalsContact CE2-CE2 3.48Å; Y157-F171 HydrophobicContact CE2-CZ 4.33Å; Y157-F171 WeakPolarHBondContact CE2-O 3.4Å; Y157-F171 PolarHBondContact OH-O 2.74Å; M160-F171 HydrophobicContact CE-CE1 4.04Å; M160-F171 HydrophobicContact CE-CE2 4.44Å; M160-F171 HydrophobicContact CE-CZ 3.59Å; F171-A173 HydrophobicContact CD2-CB 4.44Å; F171-A173 HydrophobicContact CE2-CB 4.42Å
172	S	97.7	Very high	91.1	Very high	63 Å²	63	65.9 Å²	65.9	44%	0.441	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	155.1	165	54.5	0	0	0	0	110.3	S138 H139 I140	S138-S172 PolarHBondContact O-N 2.86Å; S138-S172 PolarHBondContact O-OG 2.8Å; H139-S172 CarbonylContact C-O 3.58Å; H139-S172 VanDerWaalsContact CA-O 3.32Å; H139-S172 WeakPolarHBondContact CA-O 3.47Å; H139-S172 PolarHBondContact ND1-O 2.93Å; H139-S172 PolarHBondContact ND1-OG 3.38Å; I140-S172 PolarHBondContact N-O 3.11Å
173	A	98.4	Very high	91.3	Very high	26 Å²	26	59.9 Å²	59.9	22%	0.215	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	142.9	-176.2	0	0	0	0	0	112.4	I140 Y157 F171 F175	I140-A173 HydrophobicContact CG2-CB 3.66Å; I140-A173 CarbonylContact O-C 3.55Å; I140-A173 VanDerWaalsContact O-CA 3.23Å; I140-A173 WeakPolarHBondContact O-CA 3.42Å; Y157-A173 HydrophobicContact CD1-CB 4.11Å; Y157-A173 HydrophobicContact CD2-CB 4.03Å; Y157-A173 HydrophobicContact CE1-CB 3.8Å; Y157-A173 HydrophobicContact CE2-CB 3.73Å; Y157-A173 HydrophobicContact CG-CB 4.2Å; F171-A173 HydrophobicContact CD2-CB 4.44Å; F171-A173 HydrophobicContact CE2-CB 4.42Å; A173-F175 HydrophobicContact CB-CE2 3.61Å; A173-F175 HydrophobicContact CB-CZ 3.63Å
174	Q	98.7	Very high	91.8	Very high	15 Å²	15	55 Å²	55	7%	0.07	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	145.1	165.6	-166.4	-169.2	4.5	0	0	109.1	I140 V141 C142 I176 R188 D190	I140-Q174 PolarHBondContact O-N 2.86Å; V141-Q174 HydrophobicContact CG2-CB 4.15Å; C142-Q174 PolarHBondContact N-O 3.09Å; Q174-I176 HydrophobicContact CG-CD1 4.49Å; Q174-I176 HydrophobicContact CG-CG1 4.22Å; Q174-R188 PolarHBondContact NE2-O 3.31Å; Q174-D190 VanDerWaalsContact CD-CG 3.47Å; Q174-D190 WeakPolarHBondContact CG-OD2 3.35Å; Q174-D190 PolarHBondContact NE2-OD1 3.06Å
175	F	98.8	Very high	92.4	Very high	27 Å²	27	54.2 Å²	54.2	12%	0.118	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	118.2	-176.8	-61.9	-85	0	0	0	110.1	C142 V150 C153 R154 Y157 A173	C142-F175 HydrophobicContact CB-CD1 3.75Å; C142-F175 HydrophobicContact CB-CE1 4Å; C142-F175 WeakPolarHBondContact O-CA 3.23Å; V150-F175 HydrophobicContact CG1-CB 3.73Å; C153-F175 HydrophobicContact CB-CD1 4.35Å; C153-F175 HydrophobicContact CB-CE1 4.31Å; R154-F175 HydrophobicContact CB-CB 4.48Å; R154-F175 HydrophobicContact CB-CD1 3.93Å; R154-F175 HydrophobicContact CB-CD2 3.92Å; R154-F175 HydrophobicContact CB-CE1 4.15Å; R154-F175 HydrophobicContact CB-CE2 4.12Å; R154-F175 HydrophobicContact CB-CG 3.83Å; R154-F175 HydrophobicContact CB-CZ 4.25Å; R154-F175 HydrophobicContact CG-CD2 3.67Å; R154-F175 HydrophobicContact CG-CE2 3.83Å; R154-F175 HydrophobicContact CG-CG 4.09Å; R154-F175 HydrophobicContact CG-CZ 4.38Å; Y157-F175 AromaticContact CD1-CE2 3.76Å; Y157-F175 HydrophobicContact CD1-CE2 3.76Å; Y157-F175 AromaticContact CD1-CZ 3.64Å; Y157-F175 HydrophobicContact CD1-CZ 3.64Å; Y157-F175 HydrophobicContact CE1-CE2 4.28Å; Y157-F175 HydrophobicContact CE1-CZ 4.46Å; Y157-F175 HydrophobicContact CG-CE2 4.26Å; Y157-F175 AromaticContact CG-CZ 3.66Å; Y157-F175 HydrophobicContact CG-CZ 3.66Å; A173-F175 HydrophobicContact CB-CE2 3.61Å; A173-F175 HydrophobicContact CB-CZ 3.63Å
176	I	98.6	Very high	93.2	Very high	11 Å²	11	48.4 Å²	48.4	6%	0.056	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	118.6	-171.7	-55.9	174.8	0	0	0	109.8	V141 C142 A143 D144 Q174 L185 R188 L189	V141-I176 HydrophobicContact CG1-CD1 3.69Å; V141-I176 HydrophobicContact CG1-CG1 4.33Å; C142-I176 PolarHBondContact O-N 3.26Å; A143-I176 VanDerWaalsContact CA-O 3.29Å; A143-I176 WeakPolarHBondContact CA-O 3.29Å; A143-I176 HydrophobicContact CB-CB 4.35Å; D144-I176 PolarHBondContact N-O 2.92Å; D144-I176 VanDerWaalsContact N-O 3.11Å; Q174-I176 HydrophobicContact CG-CD1 4.49Å; Q174-I176 HydrophobicContact CG-CG1 4.22Å; I176-L185 HydrophobicContact CB-CD1 4.43Å; I176-L185 HydrophobicContact CD1-CD1 3.87Å; I176-L185 HydrophobicContact CG2-CD1 3.98Å; I176-R188 HydrophobicContact CD1-CB 4.2Å; I176-R188 WeakPolarHBondContact CD1-O 3.48Å; I176-R188 HydrophobicContact CG2-CB 4.05Å; I176-L189 HydrophobicContact CD1-CD2 4.06Å
177	A	98.1	Very high	94.4	Very high	38 Å²	38	50.2 Å²	50.2	31%	0.314	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	112.2	166.1	0	0	0	0	0	108.8	D144 E147 V150 R188	D144-A177 CarbonylContact O-C 3.52Å; D144-A177 WeakPolarHBondContact O-CA 3.19Å; E147-A177 HydrophobicContact CB-CB 4.05Å; E147-A177 HydrophobicContact CG-CB 4.12Å; V150-A177 HydrophobicContact CG2-CB 4.26Å; A177-R188 PolarHBondContact O-NH1 2.87Å
178	S	96.3	Very high	95.6	Very high	5 Å²	5	48 Å²	48	4%	0.035	24%	0.24	C	C	.	.			trans	-161.6	137.7	-172.8	174.4	0	0	0	0	111.5	D144 I145 C180 E183	D144-S178 CarbonylContact C-O 3.52Å; D144-S178 PolarHBondContact O-N 3.5Å; I145-S178 WeakPolarHBondContact CA-O 3.19Å; I145-S178 PolarHBondContact N-O 2.97Å; S178-C180 VanDerWaalsContact C-N 3.33Å; S178-C180 PolarHBondContact O-N 2.79Å; S178-E183 WeakPolarHBondContact CA-OE2 3.49Å; S178-E183 VanDerWaalsContact CB-OE2 3.28Å; S178-E183 WeakPolarHBondContact CB-OE2 3.4Å; S178-E183 PolarHBondContact OG-OE2 2.84Å
179	D	97.3	Very high	96.6	Very high	20 Å²	20	43.9 Å²	43.9	11%	0.107	22%	0.222	C	C	.	.			trans	-75.2	89.9	165.8	-173.4	-15.3	0	0	0	109.3	I145 S181 K182 E183	I145-D179 HydrophobicContact CD1-CB 3.91Å; I145-D179 HydrophobicContact CG1-CB 4.05Å; D179-S181 PolarHBondContact O-N 3.27Å; D179-S181 WeakPolarHBondContact OD1-CB 3.5Å; D179-S181 PolarHBondContact OD1-N 3.34Å; D179-S181 PolarHBondContact OD1-OG 2.74Å; D179-K182 HydrophobicContact CB-CB 4.46Å; D179-K182 PolarHBondContact O-N 2.95Å; D179-K182 WeakPolarHBondContact OD2-CD 3.3Å; D179-K182 WeakPolarHBondContact OD2-CE 3.34Å; D179-K182 IonicContact OD2-NZ 3.35Å; D179-K182 PolarHBondContact OD2-NZ 2.91Å; D179-E183 WeakPolarHBondContact O-CB 3.45Å; D179-E183 PolarHBondContact O-N 3.17Å
180	C	97.4	Very high	97.5	Very high	6 Å²	6	41.4 Å²	41.4	4%	0.041	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-3.9	-179.7	-64.4	0	0	0	0	113.8	L121 S178 M218 N221	L121-C180 HydrophobicContact CD1-CB 4.49Å; L121-C180 HydrophobicContact CD2-CB 4.18Å; L121-C180 HydrophobicContact CG-CB 4.33Å; S178-C180 VanDerWaalsContact C-N 3.33Å; S178-C180 PolarHBondContact O-N 2.79Å; C180-M218 HydrophobicContact CB-CE 4.42Å; C180-M218 VanDerWaalsContact O-CA 3.27Å; C180-M218 WeakPolarHBondContact O-CA 3.4Å; C180-M218 PolarHBondContact O-N 3.25Å; C180-N221 PolarHBondContact O-ND2 3.18Å
181	S	97.8	Very high	97.7	Very high	11 Å²	11	43.5 Å²	43.5	8%	0.077	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-10.1	171	79.1	0	0	0	0	113.4	D179 K214 M217	D179-S181 PolarHBondContact O-N 3.27Å; D179-S181 WeakPolarHBondContact OD1-CB 3.5Å; D179-S181 PolarHBondContact OD1-N 3.34Å; D179-S181 PolarHBondContact OD1-OG 2.74Å; S181-K214 VanDerWaalsContact O-CA 3.32Å; S181-K214 WeakPolarHBondContact O-CA 3.48Å; S181-M217 VanDerWaalsContact O-CB 3.28Å; S181-M217 WeakPolarHBondContact O-CB 3.46Å; S181-M217 WeakPolarHBondContact O-CG 3.35Å
182	K	97.5	Very high	97.6	Very high	89 Å²	89	47.5 Å²	47.5	39%	0.387	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.1	-28.7	-180	-63.8	-176.1	-164.2	126.9	0	113.4	D61 D179 K214	D61-K182 VanDerWaalsContact OD1-CE 3.3Å; D61-K182 WeakPolarHBondContact OD1-CE 3.5Å; D61-K182 IonicContact OD1-NZ 3.01Å; D61-K182 PolarHBondContact OD1-NZ 3.23Å; D61-K182 IonicContact OD2-NZ 2.63Å; D61-K182 PolarHBondContact OD2-NZ 3.45Å; D179-K182 HydrophobicContact CB-CB 4.46Å; D179-K182 PolarHBondContact O-N 2.95Å; D179-K182 WeakPolarHBondContact OD2-CD 3.3Å; D179-K182 WeakPolarHBondContact OD2-CE 3.34Å; D179-K182 IonicContact OD2-NZ 3.35Å; D179-K182 PolarHBondContact OD2-NZ 2.91Å; K182-K214 VanDerWaalsContact CE-NZ 3.29Å
183	E	97.6	Very high	97.6	Very high	61 Å²	61	52.3 Å²	52.3	29%	0.285	27%	0.271	S	S	.	.	S	Bend	trans	-105	147.5	-172.6	-58.9	177.6	165.4	0	0	110.9	S178 D179 L185 R188 N221	S178-E183 WeakPolarHBondContact CA-OE2 3.49Å; S178-E183 VanDerWaalsContact CB-OE2 3.28Å; S178-E183 WeakPolarHBondContact CB-OE2 3.4Å; S178-E183 PolarHBondContact OG-OE2 2.84Å; D179-E183 WeakPolarHBondContact O-CB 3.45Å; D179-E183 PolarHBondContact O-N 3.17Å; E183-L185 PolarHBondContact O-N 2.94Å; E183-R188 VanDerWaalsContact CD-CZ 3.5Å; E183-R188 IonicContact OE1-CZ 2.6Å; E183-R188 IonicContact OE1-NH1 2.83Å; E183-R188 IonicContact OE1-NH2 3.82Å; E183-R188 PolarHBondContact OE1-NH2 3.3Å; E183-R188 IonicContact OE2-CZ 3.68Å; E183-R188 IonicContact OE2-NE 3.94Å; E183-R188 PolarHBondContact OE2-NE 3.03Å; E183-R188 IonicContact OE2-NH1 3.97Å; E183-R188 PolarHBondContact OE2-NH1 3.27Å; E183-R188 IonicContact OE2-NH2 2.89Å; E183-R188 PolarHBondContact OE2-NH2 3.39Å; E183-N221 PolarHBondContact O-ND2 3.39Å
184	V	98.1	Very high	97.6	Very high	24 Å²	24	51.9 Å²	51.9	15%	0.145	27%	0.265	C	S	.	.			trans	-81	104.7	174.3	-178.4	0	0	0	0	108.3	S186 E187 M217	V184-S186 VanDerWaalsContact CG1-OG 3.32Å; V184-S186 WeakPolarHBondContact CG1-OG 3.34Å; V184-S186 PolarHBondContact O-N 2.83Å; V184-E187 HydrophobicContact CB-CG 4.17Å; V184-E187 HydrophobicContact CG1-CG 4.02Å; V184-E187 PolarHBondContact O-N 2.97Å; V184-M217 HydrophobicContact CG2-CE 3.97Å; V184-M217 HydrophobicContact CG2-SD 4.09Å
185	L	97.9	Very high	97.6	Very high	4 Å²	4	54 Å²	54	2%	0.021	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-62.8	-30.6	-174.3	-176.5	63.3	0	0	0	112.2	L119 A143 I176 E183 E187 R188 N221	L119-L185 HydrophobicContact CD1-CD2 3.68Å; L119-L185 HydrophobicContact CD2-CD2 3.9Å; L119-L185 HydrophobicContact CG-CD2 4.45Å; A143-L185 HydrophobicContact CB-CD1 4.05Å; A143-L185 HydrophobicContact CB-CD2 4.19Å; I176-L185 HydrophobicContact CB-CD1 4.43Å; I176-L185 HydrophobicContact CD1-CD1 3.87Å; I176-L185 HydrophobicContact CG2-CD1 3.98Å; E183-L185 PolarHBondContact O-N 2.94Å; L185-E187 PolarHBondContact O-N 2.64Å; L185-R188 PolarHBondContact O-N 3.5Å; L185-N221 HydrophobicContact CB-CB 4.06Å; L185-N221 WeakPolarHBondContact CB-OD1 3.39Å; L185-N221 PolarHBondContact N-OD1 2.95Å
186	S	97.4	Very high	97.6	Very high	17 Å²	17	53 Å²	53	12%	0.119	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-65.6	-19.4	-178.8	56.4	0	0	0	0	114	V184 R188 E224	V184-S186 VanDerWaalsContact CG1-OG 3.32Å; V184-S186 WeakPolarHBondContact CG1-OG 3.34Å; V184-S186 PolarHBondContact O-N 2.83Å; S186-R188 VanDerWaalsContact C-N 3.29Å; S186-E224 VanDerWaalsContact CB-OE1 3.25Å; S186-E224 WeakPolarHBondContact CB-OE1 3.42Å; S186-E224 PolarHBondContact OG-OE1 3.17Å
187	E	97.5	Very high	97.6	Very high	161 Å²	161	52.7 Å²	52.7	75%	0.752	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-78.8	-12.4	172.9	-62.4	176.6	-178.2	0	0	113	V184 L185	V184-E187 HydrophobicContact CB-CG 4.17Å; V184-E187 HydrophobicContact CG1-CG 4.02Å; V184-E187 PolarHBondContact O-N 2.97Å; L185-E187 PolarHBondContact O-N 2.64Å
188	R	97.5	Very high	97.6	Very high	106 Å²	106	50.9 Å²	50.9	40%	0.4	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-105.3	1.4	-179.8	-61.2	-166.9	173.7	-164.7	4	113.6	Q174 I176 A177 E183 L185 S186	Q174-R188 PolarHBondContact NE2-O 3.31Å; I176-R188 HydrophobicContact CD1-CB 4.2Å; I176-R188 WeakPolarHBondContact CD1-O 3.48Å; I176-R188 HydrophobicContact CG2-CB 4.05Å; A177-R188 PolarHBondContact O-NH1 2.87Å; E183-R188 VanDerWaalsContact CD-CZ 3.5Å; E183-R188 IonicContact OE1-CZ 2.6Å; E183-R188 IonicContact OE1-NH1 2.83Å; E183-R188 IonicContact OE1-NH2 3.82Å; E183-R188 PolarHBondContact OE1-NH2 3.3Å; E183-R188 IonicContact OE2-CZ 3.68Å; E183-R188 IonicContact OE2-NE 3.94Å; E183-R188 PolarHBondContact OE2-NE 3.03Å; E183-R188 IonicContact OE2-NH1 3.97Å; E183-R188 PolarHBondContact OE2-NH1 3.27Å; E183-R188 IonicContact OE2-NH2 2.89Å; E183-R188 PolarHBondContact OE2-NH2 3.39Å; L185-R188 PolarHBondContact O-N 3.5Å; S186-R188 VanDerWaalsContact C-N 3.29Å
189	L	98.1	Very high	97.8	Very high	14 Å²	14	50.6 Å²	50.6	7%	0.073	25%	0.253	C	S	.	.			trans	-74.1	138.8	176.9	-60.7	177.8	0	0	0	110.1	V141 I176 D191 L194 F196	V141-L189 HydrophobicContact CG1-CD2 4.05Å; V141-L189 HydrophobicContact CG2-CD2 4.1Å; I176-L189 HydrophobicContact CD1-CD2 4.06Å; L189-D191 WeakPolarHBondContact CB-O 3.42Å; L189-D191 PolarHBondContact O-N 2.88Å; L189-L194 HydrophobicContact CD1-CB 4.34Å; L189-F196 HydrophobicContact CD1-CE2 4.37Å; L189-F196 HydrophobicContact CD1-CZ 4.32Å; L189-F196 HydrophobicContact CD2-CZ 4.2Å
190	D	97.6	Very high	97.8	Very high	136 Å²	136	49.7 Å²	49.7	73%	0.727	25%	0.248	S	C	*	.	S	Bend	trans	-63.3	-33.9	175.5	-68.6	-14.5	0	0	0	110.7	Q174	Q174-D190 VanDerWaalsContact CD-CG 3.47Å; Q174-D190 WeakPolarHBondContact CG-OD2 3.35Å; Q174-D190 PolarHBondContact NE2-OD1 3.06Å
191	D	97.2	Very high	97.9	Very high	76 Å²	76	49.4 Å²	49.4	41%	0.406	25%	0.246	S	C	.	.	S	Bend	trans	-110.1	107.5	173.3	175.2	6.6	0	0	0	109.8	L189 E193 L194	L189-D191 WeakPolarHBondContact CB-O 3.42Å; L189-D191 PolarHBondContact O-N 2.88Å; D191-E193 PolarHBondContact O-N 3.12Å; D191-E193 PolarHBondContact OD1-N 3.02Å; D191-L194 HydrophobicContact CB-CB 4.06Å; D191-L194 VanDerWaalsContact O-CB 3.23Å; D191-L194 WeakPolarHBondContact O-CB 3.42Å; D191-L194 PolarHBondContact O-N 3.22Å; D191-L194 VanDerWaalsContact O-N 3.1Å
192	P	95.1	Very high	98	Very high	87 Å²	87	49.5 Å²	49.5	57%	0.565	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-17.4	178.8	-22.8	33.8	0	0	0	114.7	R225	P192-R225 VanDerWaalsContact O-CZ 3.25Å; P192-R225 PolarHBondContact O-NH1 3.46Å; P192-R225 PolarHBondContact O-NH2 3.28Å
193	E	96.9	Very high	98	Very high	164 Å²	164	47.2 Å²	47.2	77%	0.766	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-2.2	178.6	-60.4	-167.3	142.2	0	0	112.6	D191 M195	D191-E193 PolarHBondContact O-N 3.12Å; D191-E193 PolarHBondContact OD1-N 3.02Å; E193-M195 PolarHBondContact O-N 2.84Å
194	L	98.2	Very high	98	Very high	17 Å²	17	45.1 Å²	45.1	9%	0.089	23%	0.226	C	C	.	.			trans	-57.8	128.3	-177.9	-178.6	62.8	0	0	0	111.7	V141 L189 D191 F196	V141-L194 HydrophobicContact CG2-CD2 3.73Å; L189-L194 HydrophobicContact CD1-CB 4.34Å; D191-L194 HydrophobicContact CB-CB 4.06Å; D191-L194 VanDerWaalsContact O-CB 3.23Å; D191-L194 WeakPolarHBondContact O-CB 3.42Å; D191-L194 PolarHBondContact O-N 3.22Å; D191-L194 VanDerWaalsContact O-N 3.1Å; L194-F196 HydrophobicContact CD2-CE1 3.64Å; L194-F196 HydrophobicContact CD2-CZ 3.7Å; L194-F196 HydrophobicContact CG-CE1 3.96Å; L194-F196 HydrophobicContact CG-CZ 4.01Å
195	M	98.5	Very high	98	Very high	61 Å²	61	44 Å²	44	30%	0.3	22%	0.219	S	C	.	.			trans	-121.5	144	174.3	-62.2	-67.1	-72.2	0	0	110.1	E193 R225 L226 K227	E193-M195 PolarHBondContact O-N 2.84Å; M195-R225 CarbonylContact C-O 3.58Å; M195-R225 WeakPolarHBondContact CA-O 3.38Å; M195-R225 HydrophobicContact SD-CB 4.21Å; M195-L226 WeakPolarHBondContact CE-O 3.48Å; M195-K227 HydrophobicContact CB-CD 4.48Å; M195-K227 HydrophobicContact CB-CG 3.67Å; M195-K227 WeakPolarHBondContact O-CE 3.44Å
196	F	98.8	Very high	98	Very high	5 Å²	5	43.8 Å²	43.8	2%	0.022	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	141.7	-175.9	-55	-73.7	0	0	0	111.7	V118 L119 V141 L189 L194 R225 L226 K227	V118-F196 VanDerWaalsContact C-CD1 3.46Å; L119-F196 HydrophobicContact CB-CD1 3.86Å; L119-F196 HydrophobicContact CB-CD2 3.99Å; L119-F196 HydrophobicContact CB-CE1 3.94Å; L119-F196 HydrophobicContact CB-CE2 4.08Å; L119-F196 HydrophobicContact CB-CG 3.88Å; L119-F196 HydrophobicContact CB-CZ 4.05Å; L119-F196 HydrophobicContact CD2-CD2 4.47Å; L119-F196 HydrophobicContact CD2-CE2 4.28Å; V141-F196 HydrophobicContact CB-CE1 4.08Å; V141-F196 HydrophobicContact CB-CZ 4.22Å; V141-F196 HydrophobicContact CG2-CE1 3.69Å; V141-F196 HydrophobicContact CG2-CZ 3.86Å; L189-F196 HydrophobicContact CD1-CE2 4.37Å; L189-F196 HydrophobicContact CD1-CZ 4.32Å; L189-F196 HydrophobicContact CD2-CZ 4.2Å; L194-F196 HydrophobicContact CD2-CE1 3.64Å; L194-F196 HydrophobicContact CD2-CZ 3.7Å; L194-F196 HydrophobicContact CG-CE1 3.96Å; L194-F196 HydrophobicContact CG-CZ 4.01Å; F196-R225 HydrophobicContact CD2-CB 3.69Å; F196-R225 HydrophobicContact CE2-CB 3.84Å; F196-R225 PolarHBondContact N-O 3.02Å; F196-L226 HydrophobicContact CB-CD2 4.15Å; F196-L226 WeakPolarHBondContact O-CA 3.33Å; F196-K227 WeakPolarHBondContact O-CG 3.3Å; F196-K227 PolarHBondContact O-N 3.11Å
197	D	98.9	Very high	98.1	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.021	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	-31.3	167.2	-59.5	-90	0	0	0	110.7	V108 S113 V116 S117 K227 G230 F231	V108-D197 HydrophobicContact CG1-CB 3.77Å; V108-D197 HydrophobicContact CG2-CB 4.45Å; S113-D197 WeakPolarHBondContact CB-OD1 3.37Å; S113-D197 PolarHBondContact OG-OD1 2.91Å; V116-D197 WeakPolarHBondContact CA-OD2 3.5Å; V116-D197 HydrophobicContact CG1-CB 4.02Å; S117-D197 PolarHBondContact N-OD2 3.24Å; S117-D197 PolarHBondContact O-N 3.22Å; D197-K227 VanDerWaalsContact CG-NZ 3.3Å; D197-K227 WeakPolarHBondContact OD1-CD 3.45Å; D197-K227 IonicContact OD1-NZ 3.55Å; D197-K227 PolarHBondContact OD1-NZ 3.22Å; D197-K227 IonicContact OD2-NZ 3.53Å; D197-K227 PolarHBondContact OD2-NZ 2.97Å; D197-G230 CarbonylContact O-C 3.55Å; D197-G230 WeakPolarHBondContact O-CA 3.5Å; D197-F231 PolarHBondContact O-N 2.83Å
198	I	98.9	Very high	98.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	132.7	-178.1	-53.8	171.2	0	0	0	109.7	I104 L105 V108 V116 S117 V118 L119 W132 F231 I233	I104-I198 HydrophobicContact CG2-CD1 3.83Å; I104-I198 HydrophobicContact CG2-CG1 4.01Å; I104-I198 HydrophobicContact CG2-CG2 4.39Å; L105-I198 HydrophobicContact CD2-CD1 3.62Å; L105-I198 HydrophobicContact CG-CD1 4.03Å; V108-I198 HydrophobicContact CG2-CD1 4.11Å; V108-I198 HydrophobicContact CG2-CG1 3.87Å; V116-I198 HydrophobicContact CG1-CD1 4.3Å; S117-I198 PolarHBondContact O-N 2.84Å; V118-I198 CarbonylContact C-O 3.55Å; V118-I198 VanDerWaalsContact CA-O 3.3Å; V118-I198 WeakPolarHBondContact CA-O 3.33Å; V118-I198 HydrophobicContact CG2-CB 4.28Å; L119-I198 PolarHBondContact N-O 3.44Å; W132-I198 HydrophobicContact CH2-CG2 4.16Å; W132-I198 HydrophobicContact CZ3-CD1 4.29Å; I198-F231 CarbonylContact C-O 3.52Å; I198-F231 WeakPolarHBondContact CA-O 3.26Å; I198-I233 HydrophobicContact CG2-CD1 3.89Å; I198-I233 HydrophobicContact CG2-CG1 4.08Å
199	C	98.9	Very high	98.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	125	158.5	177	0	0	0	0	108.2	L119 A222 L226 F231 F232 I233	L119-C199 HydrophobicContact CB-CB 4.33Å; L119-C199 CarbonylContact O-C 3.5Å; L119-C199 VanDerWaalsContact O-CA 3.31Å; L119-C199 WeakPolarHBondContact O-CA 3.31Å; C199-A222 WeakPolarHBondContact CB-O 3.44Å; C199-A222 VanDerWaalsContact SG-CA 3.58Å; C199-L226 HydrophobicContact CB-CD2 4.12Å; C199-F231 PolarHBondContact N-O 2.99Å; C199-F232 HydrophobicContact CB-CD2 4.11Å; C199-F232 WeakPolarHBondContact O-CA 3.4Å; C199-I233 PolarHBondContact O-N 2.76Å
200	S	98.9	Very high	98.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	128.9	176.9	175.6	0	0	0	0	109.7	L119 L121 Q202 I233	L119-S200 PolarHBondContact O-N 3.32Å; L121-S200 PolarHBondContact N-O 2.95Å; S200-Q202 WeakPolarHBondContact OG-CG 3.32Å; S200-Q202 PolarHBondContact OG-NE2 3.45Å; S200-Q202 VanDerWaalsContact OG-NE2 3.08Å; S200-I233 CarbonylContact C-O 3.54Å; S200-I233 WeakPolarHBondContact CA-O 3.42Å
201	C	98.8	Very high	98.2	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.007	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	90.6	179.6	-177.5	0	0	0	0	109.2	L121 F232 I233 G234 T235	L121-C201 HydrophobicContact CB-CB 4.47Å; C201-F232 HydrophobicContact CB-CE2 3.54Å; C201-F232 HydrophobicContact CB-CZ 4.13Å; C201-I233 PolarHBondContact N-O 3.45Å; C201-G234 WeakPolarHBondContact O-CA 3.1Å; C201-T235 PolarHBondContact O-N 3.16Å
202	Q	98.7	Very high	98.2	Very high	13 Å²	13	29 Å²	29	6%	0.061	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	112	-168.4	-57.5	-61.3	-27.1	0	0	110.8	K97 S200 V204 T235	K97-Q202 HydrophobicContact CD-CB 3.76Å; K97-Q202 HydrophobicContact CD-CG 3.75Å; K97-Q202 HydrophobicContact CG-CG 4.47Å; S200-Q202 WeakPolarHBondContact OG-CG 3.32Å; S200-Q202 PolarHBondContact OG-NE2 3.45Å; S200-Q202 VanDerWaalsContact OG-NE2 3.08Å; Q202-V204 VanDerWaalsContact C-N 3.32Å; Q202-V204 WeakPolarHBondContact O-CG2 3.32Å; Q202-V204 PolarHBondContact O-N 2.96Å; Q202-T235 WeakPolarHBondContact CA-OG1 3.39Å; Q202-T235 PolarHBondContact OE1-OG1 3.16Å
203	F	97.8	Very high	98.4	Very high	40 Å²	40	31.6 Å²	31.6	18%	0.175	15%	0.152	C	C	.	.	S	Bend	trans	58.6	38	-177.6	-52.2	-81.5	0	0	0	113.9	N93 K97 H206 Y207 T235 F313 Y385	N93-F203 HydrophobicContact CB-CZ 4.27Å; K97-F203 HydrophobicContact CD-CE2 4.05Å; F203-H206 PolarHBondContact O-CE1 3.45Å; F203-H206 VanDerWaalsContact O-CE1 3.24Å; F203-Y207 WeakPolarHBondContact O-CE2 3.3Å; F203-T235 WeakPolarHBondContact CA-O 3.33Å; F203-T235 PolarHBondContact N-O 2.76Å; F203-T235 PolarHBondContact N-OG1 3.44Å; F203-T235 VanDerWaalsContact N-OG1 3.12Å; F203-F313 HydrophobicContact CE1-CE2 4.2Å; F203-F313 AromaticContact CE1-CZ 3.92Å; F203-F313 HydrophobicContact CE1-CZ 3.92Å; F203-F313 HydrophobicContact CZ-CE2 4.01Å; F203-F313 AromaticContact CZ-CZ 3.77Å; F203-F313 HydrophobicContact CZ-CZ 3.77Å; F203-Y385 AromaticContact CD1-CD1 3.68Å; F203-Y385 HydrophobicContact CD1-CD1 3.68Å; F203-Y385 AromaticContact CD1-CE1 3.49Å; F203-Y385 HydrophobicContact CD1-CE1 3.49Å; F203-Y385 VanDerWaalsContact CD1-CE1 3.49Å; F203-Y385 HydrophobicContact CD1-CG 4.45Å; F203-Y385 AromaticContact CE1-CD1 3.56Å; F203-Y385 HydrophobicContact CE1-CD1 3.56Å; F203-Y385 HydrophobicContact CE1-CD2 4.33Å; F203-Y385 AromaticContact CE1-CE1 3.72Å; F203-Y385 HydrophobicContact CE1-CE1 3.72Å; F203-Y385 HydrophobicContact CE1-CE2 4.45Å; F203-Y385 AromaticContact CE1-CG 3.89Å; F203-Y385 HydrophobicContact CE1-CG 3.89Å
204	V	98.1	Very high	98.5	Very high	17 Å²	17	25 Å²	25	10%	0.103	12%	0.121	C	C	.	.			trans	-128	-39.5	-173.4	170.6	0	0	0	0	113	L121 Q202 H206 Y207 M218	L121-V204 HydrophobicContact CD2-CG1 4Å; Q202-V204 VanDerWaalsContact C-N 3.32Å; Q202-V204 WeakPolarHBondContact O-CG2 3.32Å; Q202-V204 PolarHBondContact O-N 2.96Å; V204-H206 PolarHBondContact O-N 3.44Å; V204-Y207 WeakPolarHBondContact O-CB 3.49Å; V204-Y207 WeakPolarHBondContact O-CD2 3.4Å; V204-Y207 PolarHBondContact O-N 2.93Å; V204-M218 HydrophobicContact CG1-CE 4.2Å; V204-M218 HydrophobicContact CG1-SD 4.23Å
205	Y	98.1	Very high	98.5	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-58.9	-31.9	-165.5	-168.2	-121	0	0	0	114.6	Y207 S208 F209 A215 M218 L219 F296	Y205-Y207 PolarHBondContact O-N 3.32Å; Y205-S208 WeakPolarHBondContact O-CB 3.41Å; Y205-S208 PolarHBondContact O-N 2.82Å; Y205-S208 VanDerWaalsContact O-N 3.07Å; Y205-S208 PolarHBondContact O-OG 2.83Å; Y205-F209 AromaticContact CD1-CE2 3.89Å; Y205-F209 HydrophobicContact CD1-CE2 3.89Å; Y205-F209 HydrophobicContact CE1-CD2 4.22Å; Y205-F209 AromaticContact CE1-CE2 3.26Å; Y205-F209 HydrophobicContact CE1-CE2 3.26Å; Y205-F209 AromaticContact CE1-CZ 3.93Å; Y205-F209 HydrophobicContact CE1-CZ 3.93Å; Y205-F209 AromaticContact CZ-CE2 3.61Å; Y205-A215 PolarHBondContact OH-O 2.91Å; Y205-M218 HydrophobicContact CD2-CG 3.99Å; Y205-M218 HydrophobicContact CD2-SD 3.81Å; Y205-M218 HydrophobicContact CE2-CB 4.26Å; Y205-M218 HydrophobicContact CE2-CG 4.17Å; Y205-M218 HydrophobicContact CE2-SD 4.46Å; Y205-L219 HydrophobicContact CE2-CB 4.31Å; Y205-L219 HydrophobicContact CE2-CD1 4.43Å; Y205-F296 HydrophobicContact CD1-CD1 4.23Å; Y205-F296 HydrophobicContact CD1-CD2 4.23Å; Y205-F296 HydrophobicContact CD1-CE1 4.02Å; Y205-F296 HydrophobicContact CD1-CE2 4.06Å; Y205-F296 HydrophobicContact CD1-CG 4.34Å; Y205-F296 AromaticContact CD1-CZ 3.94Å; Y205-F296 HydrophobicContact CD1-CZ 3.94Å; Y205-F296 HydrophobicContact CE1-CB 4.41Å; Y205-F296 AromaticContact CE1-CD1 3.95Å; Y205-F296 HydrophobicContact CE1-CD1 3.95Å; Y205-F296 AromaticContact CE1-CD2 3.24Å; Y205-F296 HydrophobicContact CE1-CD2 3.24Å; Y205-F296 AromaticContact CE1-CE1 3.97Å; Y205-F296 HydrophobicContact CE1-CE1 3.97Å; Y205-F296 AromaticContact CE1-CE2 3.31Å; Y205-F296 HydrophobicContact CE1-CE2 3.31Å; Y205-F296 AromaticContact CE1-CG 3.61Å; Y205-F296 HydrophobicContact CE1-CG 3.61Å; Y205-F296 AromaticContact CE1-CZ 3.67Å; Y205-F296 HydrophobicContact CE1-CZ 3.67Å; Y205-F296 AromaticContact CZ-CD2 3.72Å; Y205-F296 AromaticContact CZ-CE2 3.65Å
206	H	98.6	Very high	98.5	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-62.7	-24	178.1	50	-91.1	0	0	0	114.4	F203 V204 S208 F209 T236 P237 E288 F289 V291	F203-H206 PolarHBondContact O-CE1 3.45Å; F203-H206 VanDerWaalsContact O-CE1 3.24Å; V204-H206 PolarHBondContact O-N 3.44Å; H206-S208 PolarHBondContact O-N 3.32Å; H206-F209 PolarHBondContact O-N 2.8Å; H206-T236 PolarHBondContact ND1-OG1 3.25Å; H206-P237 VanDerWaalsContact ND1-CD 3.28Å; H206-P237 WeakPolarHBondContact ND1-CD 3.47Å; H206-E288 IonicContact CD2-OE2 2.79Å; H206-E288 IonicContact NE2-OE1 3.04Å; H206-E288 IonicContact NE2-OE2 2.78Å; H206-F289 WeakPolarHBondContact O-CB 3.45Å; H206-V291 VanDerWaalsContact CA-CG2 3.5Å; H206-V291 HydrophobicContact CB-CG2 3.55Å
207	Y	98.3	Very high	98.5	Very high	26 Å²	26	24.4 Å²	24.4	10%	0.102	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-64.9	-26.9	174	-61.1	-58.8	0	0	0	112.2	H62 V66 Y70 F203 V204 Y205 F209 V286 E288	H62-Y207 AromaticContact NE2-CD1 3.86Å; V66-Y207 HydrophobicContact CG1-CD1 4.41Å; V66-Y207 HydrophobicContact CG1-CE1 4.41Å; V66-Y207 HydrophobicContact CG2-CD1 3.91Å; V66-Y207 HydrophobicContact CG2-CE1 4.2Å; Y70-Y207 PolarHBondContact OH-OH 3.08Å; Y70-Y207 VanDerWaalsContact OH-OH 3.13Å; F203-Y207 WeakPolarHBondContact O-CE2 3.3Å; V204-Y207 WeakPolarHBondContact O-CB 3.49Å; V204-Y207 WeakPolarHBondContact O-CD2 3.4Å; V204-Y207 PolarHBondContact O-N 2.93Å; Y205-Y207 PolarHBondContact O-N 3.32Å; Y207-F209 VanDerWaalsContact C-N 3.31Å; Y207-F209 PolarHBondContact O-N 3Å; Y207-V286 HydrophobicContact CE1-CG2 3.7Å; Y207-E288 HydrophobicContact CD1-CG 4.28Å; Y207-E288 HydrophobicContact CE1-CG 3.66Å
208	S	98.3	Very high	98.5	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.007	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-76.4	-16.1	-180	72.9	0	0	0	0	113.9	Y205 H206 E210 K214 A215	Y205-S208 WeakPolarHBondContact O-CB 3.41Å; Y205-S208 PolarHBondContact O-N 2.82Å; Y205-S208 VanDerWaalsContact O-N 3.07Å; Y205-S208 PolarHBondContact O-OG 2.83Å; H206-S208 PolarHBondContact O-N 3.32Å; S208-E210 PolarHBondContact O-N 2.83Å; S208-K214 CarbonylContact O-C 3.57Å; S208-K214 VanDerWaalsContact O-CB 3.23Å; S208-K214 WeakPolarHBondContact O-CB 3.29Å; S208-A215 PolarHBondContact O-N 3.04Å
209	F	98.4	Very high	98.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-76.6	11.7	-175.4	-90.8	-115.6	0	0	0	114.2	Y205 H206 Y207 S211 A215 F272 G273 F289 V291 L295 F296 M299	Y205-F209 AromaticContact CD1-CE2 3.89Å; Y205-F209 HydrophobicContact CD1-CE2 3.89Å; Y205-F209 HydrophobicContact CE1-CD2 4.22Å; Y205-F209 AromaticContact CE1-CE2 3.26Å; Y205-F209 HydrophobicContact CE1-CE2 3.26Å; Y205-F209 AromaticContact CE1-CZ 3.93Å; Y205-F209 HydrophobicContact CE1-CZ 3.93Å; Y205-F209 AromaticContact CZ-CE2 3.61Å; H206-F209 PolarHBondContact O-N 2.8Å; Y207-F209 VanDerWaalsContact C-N 3.31Å; Y207-F209 PolarHBondContact O-N 3Å; F209-S211 VanDerWaalsContact C-N 3.27Å; F209-S211 PolarHBondContact O-N 2.92Å; F209-A215 HydrophobicContact CD2-CB 3.86Å; F209-A215 HydrophobicContact CE2-CB 3.79Å; F209-A215 HydrophobicContact CG-CB 4.38Å; F209-A215 HydrophobicContact CZ-CB 4.32Å; F209-F272 HydrophobicContact CD1-CD1 4.04Å; F209-F272 HydrophobicContact CD1-CE1 4.22Å; F209-F272 HydrophobicContact CE1-CD1 4.38Å; F209-F272 HydrophobicContact CE1-CE1 4.1Å; F209-F272 CarbonylContact O-C 3.57Å; F209-F272 WeakPolarHBondContact O-CA 3.17Å; F209-G273 PolarHBondContact O-N 2.7Å; F209-F289 HydrophobicContact CB-CB 3.63Å; F209-V291 HydrophobicContact CB-CG2 4.35Å; F209-V291 HydrophobicContact CD1-CB 4.41Å; F209-V291 HydrophobicContact CD1-CG1 4.41Å; F209-V291 HydrophobicContact CD1-CG2 4.2Å; F209-V291 HydrophobicContact CD2-CG1 4.48Å; F209-V291 HydrophobicContact CD2-CG2 3.88Å; F209-V291 HydrophobicContact CE1-CB 4.42Å; F209-V291 HydrophobicContact CE1-CG1 3.96Å; F209-V291 HydrophobicContact CE2-CG1 4.08Å; F209-V291 HydrophobicContact CE2-CG2 4.29Å; F209-V291 HydrophobicContact CG-CG2 3.86Å; F209-V291 HydrophobicContact CZ-CG1 3.8Å; F209-L295 HydrophobicContact CE1-CD2 4.23Å; F209-F296 HydrophobicContact CZ-CB 4.11Å; F209-M299 HydrophobicContact CZ-SD 4.43Å
210	E	97.9	Very high	98.5	Very high	57 Å²	57	29 Å²	29	27%	0.266	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	-56.6	-41.5	169.8	-173.6	177.3	-175	0	0	112.1	H62 S208 K214 G273 F289	H62-E210 VanDerWaalsContact CB-OE2 3.29Å; H62-E210 WeakPolarHBondContact CB-OE2 3.36Å; H62-E210 IonicContact CG-OE2 3.89Å; S208-E210 PolarHBondContact O-N 2.83Å; E210-K214 HydrophobicContact CB-CD 4.16Å; E210-K214 IonicContact OE1-NZ 3.8Å; E210-K214 WeakPolarHBondContact OE2-CD 3.42Å; E210-K214 WeakPolarHBondContact OE2-CE 3.33Å; E210-K214 IonicContact OE2-NZ 3Å; E210-K214 PolarHBondContact OE2-NZ 3Å; E210-G273 WeakPolarHBondContact O-CA 3.36Å; E210-G273 PolarHBondContact O-N 3.15Å; E210-G273 VanDerWaalsContact O-N 3.16Å; E210-F289 HydrophobicContact CB-CD2 3.91Å; E210-F289 HydrophobicContact CB-CE1 4.07Å; E210-F289 HydrophobicContact CB-CE2 3.38Å; E210-F289 HydrophobicContact CB-CG 4.45Å; E210-F289 HydrophobicContact CB-CZ 3.49Å; E210-F289 VanDerWaalsContact CB-CZ 3.49Å; E210-F289 HydrophobicContact CG-CE1 4.04Å; E210-F289 HydrophobicContact CG-CE2 3.9Å; E210-F289 HydrophobicContact CG-CZ 3.48Å; E210-F289 VanDerWaalsContact CG-CZ 3.48Å
211	S	98.4	Very high	98.5	Very high	31 Å²	31	29.3 Å²	29.3	22%	0.217	14%	0.138	C	C	.	.	S	Bend	trans	-145.9	161.9	176.5	80.9	0	0	0	0	111.2	F209 Q213 K214 A215	F209-S211 VanDerWaalsContact C-N 3.27Å; F209-S211 PolarHBondContact O-N 2.92Å; S211-Q213 VanDerWaalsContact C-N 3.29Å; S211-Q213 PolarHBondContact O-N 3.43Å; S211-Q213 PolarHBondContact OG-OE1 3.39Å; S211-Q213 VanDerWaalsContact OG-OE1 3.09Å; S211-K214 PolarHBondContact O-N 2.79Å; S211-K214 PolarHBondContact OG-N 3.11Å; S211-A215 WeakPolarHBondContact O-CB 3.25Å; S211-A215 PolarHBondContact O-N 2.84Å
212	E	98.5	Very high	98.5	Very high	85 Å²	85	29.3 Å²	29.3	40%	0.397	14%	0.138	S	C	.	.	H	α-helix	trans	-59	-42.3	175.9	-177.1	172.9	-174.7	0	0	111.7	K214 A215 D216 F272 R302	E212-K214 VanDerWaalsContact C-N 3.32Å; E212-K214 PolarHBondContact O-N 3.24Å; E212-A215 PolarHBondContact O-N 2.66Å; E212-D216 VanDerWaalsContact O-CB 3.31Å; E212-D216 WeakPolarHBondContact O-CB 3.32Å; E212-D216 PolarHBondContact O-N 3.22Å; E212-F272 HydrophobicContact CB-CD1 4.41Å; E212-F272 HydrophobicContact CB-CD2 3.77Å; E212-F272 HydrophobicContact CB-CE1 4.22Å; E212-F272 HydrophobicContact CB-CE2 3.53Å; E212-F272 HydrophobicContact CB-CG 4.2Å; E212-F272 HydrophobicContact CB-CZ 3.77Å; E212-F272 HydrophobicContact CG-CD2 4.48Å; E212-F272 HydrophobicContact CG-CE1 4.43Å; E212-F272 HydrophobicContact CG-CE2 3.74Å; E212-F272 HydrophobicContact CG-CZ 3.7Å; E212-R302 IonicContact OE1-CZ 2.87Å; E212-R302 IonicContact OE1-NH1 3.49Å; E212-R302 IonicContact OE1-NH2 2.84Å; E212-R302 PolarHBondContact OE1-NH2 3.38Å
213	Q	98.5	Very high	98.5	Very high	141 Å²	141	28.7 Å²	28.7	66%	0.659	14%	0.135	S	C	*	.	H	α-helix	trans	-62.4	-41.8	-178.4	-60.1	82.5	2.7	0	0	111.3	S211 M217	S211-Q213 VanDerWaalsContact C-N 3.29Å; S211-Q213 PolarHBondContact O-N 3.43Å; S211-Q213 PolarHBondContact OG-OE1 3.39Å; S211-Q213 VanDerWaalsContact OG-OE1 3.09Å; Q213-M217 VanDerWaalsContact O-CB 3.29Å; Q213-M217 WeakPolarHBondContact O-CB 3.39Å; Q213-M217 PolarHBondContact O-N 3.02Å
214	K	98.6	Very high	98.5	Very high	24 Å²	24	29 Å²	29	10%	0.104	14%	0.137	C	C	.	.	H	α-helix	trans	-68.2	-43.9	178.9	-74.7	-173.7	179.3	-168.6	0	111.9	D61 S181 K182 S208 E210 S211 E212 M217 M218	D61-K214 IonicContact OD1-NZ 3.26Å; D61-K214 PolarHBondContact OD1-NZ 3.06Å; S181-K214 VanDerWaalsContact O-CA 3.32Å; S181-K214 WeakPolarHBondContact O-CA 3.48Å; K182-K214 VanDerWaalsContact CE-NZ 3.29Å; S208-K214 CarbonylContact O-C 3.57Å; S208-K214 VanDerWaalsContact O-CB 3.23Å; S208-K214 WeakPolarHBondContact O-CB 3.29Å; E210-K214 HydrophobicContact CB-CD 4.16Å; E210-K214 IonicContact OE1-NZ 3.8Å; E210-K214 WeakPolarHBondContact OE2-CD 3.42Å; E210-K214 WeakPolarHBondContact OE2-CE 3.33Å; E210-K214 IonicContact OE2-NZ 3Å; E210-K214 PolarHBondContact OE2-NZ 3Å; S211-K214 PolarHBondContact O-N 2.79Å; S211-K214 PolarHBondContact OG-N 3.11Å; E212-K214 VanDerWaalsContact C-N 3.32Å; E212-K214 PolarHBondContact O-N 3.24Å; K214-M217 PolarHBondContact O-N 3.22Å; K214-M218 PolarHBondContact O-N 3.43Å
215	A	98.8	Very high	98.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-64	-40.7	177.4	0	0	0	0	0	112.5	Y205 S208 F209 S211 E212 L219 F272 M299	Y205-A215 PolarHBondContact OH-O 2.91Å; S208-A215 PolarHBondContact O-N 3.04Å; F209-A215 HydrophobicContact CD2-CB 3.86Å; F209-A215 HydrophobicContact CE2-CB 3.79Å; F209-A215 HydrophobicContact CG-CB 4.38Å; F209-A215 HydrophobicContact CZ-CB 4.32Å; S211-A215 WeakPolarHBondContact O-CB 3.25Å; S211-A215 PolarHBondContact O-N 2.84Å; E212-A215 PolarHBondContact O-N 2.66Å; A215-L219 VanDerWaalsContact O-CB 3.3Å; A215-L219 WeakPolarHBondContact O-CB 3.48Å; A215-L219 PolarHBondContact O-N 3.22Å; A215-L219 VanDerWaalsContact O-N 3.11Å; A215-F272 HydrophobicContact CB-CD1 4.16Å; A215-F272 HydrophobicContact CB-CE1 3.75Å; A215-M299 HydrophobicContact CB-CE 3.85Å
216	D	98.8	Very high	98.6	Very high	35 Å²	35	31.3 Å²	31.3	19%	0.187	14%	0.144	C	C	.	.	H	α-helix	trans	-70.3	-41.9	177.2	-172.1	75.9	0	0	0	112.1	E212 L219 R220 M299 R302 Y303	E212-D216 VanDerWaalsContact O-CB 3.31Å; E212-D216 WeakPolarHBondContact O-CB 3.32Å; E212-D216 PolarHBondContact O-N 3.22Å; D216-L219 WeakPolarHBondContact O-CB 3.46Å; D216-L219 PolarHBondContact O-N 2.86Å; D216-R220 WeakPolarHBondContact O-CB 3.41Å; D216-R220 PolarHBondContact O-N 2.89Å; D216-M299 HydrophobicContact CB-CE 3.93Å; D216-R302 VanDerWaalsContact CG-NH1 3.34Å; D216-R302 IonicContact OD1-CZ 3Å; D216-R302 IonicContact OD1-NE 3.83Å; D216-R302 IonicContact OD1-NH1 3.08Å; D216-R302 PolarHBondContact OD1-NH1 2.89Å; D216-Y303 PolarHBondContact OD1-OH 2.83Å; D216-Y303 PolarHBondContact OD2-OH 2.8Å
217	M	98.8	Very high	98.6	Very high	37 Å²	37	34.2 Å²	34.2	18%	0.182	16%	0.157	C	C	.	.	H	α-helix	trans	-63.2	-44.7	176.5	-179.5	59.6	74.7	0	0	112.3	S181 V184 Q213 K214 L219 R220 N221	S181-M217 VanDerWaalsContact O-CB 3.28Å; S181-M217 WeakPolarHBondContact O-CB 3.46Å; S181-M217 WeakPolarHBondContact O-CG 3.35Å; V184-M217 HydrophobicContact CG2-CE 3.97Å; V184-M217 HydrophobicContact CG2-SD 4.09Å; Q213-M217 VanDerWaalsContact O-CB 3.29Å; Q213-M217 WeakPolarHBondContact O-CB 3.39Å; Q213-M217 PolarHBondContact O-N 3.02Å; K214-M217 PolarHBondContact O-N 3.22Å; M217-L219 VanDerWaalsContact C-N 3.27Å; M217-L219 PolarHBondContact O-N 3.33Å; M217-R220 WeakPolarHBondContact O-CB 3Å; M217-R220 PolarHBondContact O-N 3.04Å; M217-N221 PolarHBondContact O-N 3.41Å; M217-N221 PolarHBondContact O-ND2 2.95Å
218	M	98.7	Very high	98.6	Very high	13 Å²	13	37.4 Å²	37.4	6%	0.064	18%	0.181	C	C	.	.	H	α-helix	trans	-63.7	-37	175.7	-173.7	171.3	-79.1	0	0	111.4	L121 C180 V204 Y205 K214 N221 A222	L121-M218 HydrophobicContact CD1-CG 4.28Å; L121-M218 HydrophobicContact CD2-CE 3.95Å; L121-M218 HydrophobicContact CD2-CG 3.99Å; L121-M218 HydrophobicContact CD2-SD 3.95Å; C180-M218 HydrophobicContact CB-CE 4.42Å; C180-M218 VanDerWaalsContact O-CA 3.27Å; C180-M218 WeakPolarHBondContact O-CA 3.4Å; C180-M218 PolarHBondContact O-N 3.25Å; V204-M218 HydrophobicContact CG1-CE 4.2Å; V204-M218 HydrophobicContact CG1-SD 4.23Å; Y205-M218 HydrophobicContact CD2-CG 3.99Å; Y205-M218 HydrophobicContact CD2-SD 3.81Å; Y205-M218 HydrophobicContact CE2-CB 4.26Å; Y205-M218 HydrophobicContact CE2-CG 4.17Å; Y205-M218 HydrophobicContact CE2-SD 4.46Å; K214-M218 PolarHBondContact O-N 3.43Å; M218-N221 PolarHBondContact O-N 2.98Å; M218-A222 WeakPolarHBondContact O-CB 3.47Å; M218-A222 PolarHBondContact O-N 2.99Å
219	L	98.9	Very high	98.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-68.1	-39.4	176.1	-167.7	55	0	0	0	112.6	Y205 A215 D216 M217 A222 C223 F232 F296 M299 A300 Y303	Y205-L219 HydrophobicContact CE2-CB 4.31Å; Y205-L219 HydrophobicContact CE2-CD1 4.43Å; A215-L219 VanDerWaalsContact O-CB 3.3Å; A215-L219 WeakPolarHBondContact O-CB 3.48Å; A215-L219 PolarHBondContact O-N 3.22Å; A215-L219 VanDerWaalsContact O-N 3.11Å; D216-L219 WeakPolarHBondContact O-CB 3.46Å; D216-L219 PolarHBondContact O-N 2.86Å; M217-L219 VanDerWaalsContact C-N 3.27Å; M217-L219 PolarHBondContact O-N 3.33Å; L219-A222 PolarHBondContact O-N 3Å; L219-C223 VanDerWaalsContact O-CB 3.29Å; L219-C223 WeakPolarHBondContact O-CB 3.46Å; L219-C223 PolarHBondContact O-N 2.75Å; L219-C223 PolarHBondContact O-SG 3Å; L219-F232 HydrophobicContact CD1-CD1 4.12Å; L219-F232 HydrophobicContact CD1-CE1 3.63Å; L219-F296 HydrophobicContact CD1-CD2 4.47Å; L219-F296 HydrophobicContact CD1-CE2 3.73Å; L219-M299 HydrophobicContact CD2-CB 3.62Å; L219-A300 HydrophobicContact CD2-CB 4.19Å; L219-Y303 HydrophobicContact CB-CD2 4.46Å; L219-Y303 HydrophobicContact CB-CE2 4.2Å; L219-Y303 HydrophobicContact CD2-CD2 4.13Å; L219-Y303 HydrophobicContact CD2-CE2 4.26Å; L219-Y303 HydrophobicContact CG-CD2 3.85Å; L219-Y303 HydrophobicContact CG-CE2 4.05Å
220	R	98.8	Very high	98.6	Very high	88 Å²	88	39 Å²	39	33%	0.332	20%	0.198	S	C	.	.	H	α-helix	trans	-55.9	-55.2	171.9	-178	174	172.8	-173.1	-8.1	110.5	D216 M217 A222 C223 E224 Y303	D216-R220 WeakPolarHBondContact O-CB 3.41Å; D216-R220 PolarHBondContact O-N 2.89Å; M217-R220 WeakPolarHBondContact O-CB 3Å; M217-R220 PolarHBondContact O-N 3.04Å; R220-A222 PolarHBondContact O-N 3.26Å; R220-C223 PolarHBondContact O-N 2.94Å; R220-E224 HydrophobicContact CG-CB 4.2Å; R220-E224 HydrophobicContact CG-CG 4.34Å; R220-E224 WeakPolarHBondContact CG-OE2 3.49Å; R220-E224 IonicContact CZ-OE2 3.95Å; R220-E224 IonicContact NE-OE2 2.74Å; R220-E224 PolarHBondContact NE-OE2 3.25Å; R220-E224 IonicContact NH2-OE2 3.63Å; R220-E224 PolarHBondContact NH2-OE2 2.92Å; R220-E224 VanDerWaalsContact O-CB 3.28Å; R220-E224 WeakPolarHBondContact O-CB 3.45Å; R220-E224 WeakPolarHBondContact O-CG 3.4Å; R220-E224 PolarHBondContact O-N 3.06Å; R220-Y303 HydrophobicContact CB-CE1 3.66Å; R220-Y303 HydrophobicContact CB-CE2 4.42Å; R220-Y303 WeakPolarHBondContact CB-OH 3.21Å; R220-Y303 HydrophobicContact CG-CE1 3.7Å
221	N	98.8	Very high	98.6	Very high	5 Å²	5	36.7 Å²	36.7	3%	0.027	19%	0.187	C	C	.	.	H	α-helix	trans	-58.2	-37.3	179.4	-75.5	-32.7	0	0	0	112.2	L119 L121 C180 E183 L185 M217 M218	L119-N221 WeakPolarHBondContact CD2-O 3.28Å; L121-N221 HydrophobicContact CD1-CB 4.38Å; C180-N221 PolarHBondContact O-ND2 3.18Å; E183-N221 PolarHBondContact O-ND2 3.39Å; L185-N221 HydrophobicContact CB-CB 4.06Å; L185-N221 WeakPolarHBondContact CB-OD1 3.39Å; L185-N221 PolarHBondContact N-OD1 2.95Å; M217-N221 PolarHBondContact O-N 3.41Å; M217-N221 PolarHBondContact O-ND2 2.95Å; M218-N221 PolarHBondContact O-N 2.98Å
222	A	98.8	Very high	98.6	Very high	2 Å²	2	35.2 Å²	35.2	2%	0.017	18%	0.177	C	C	.	.	H	α-helix	trans	-70.5	-31	177.1	0	0	0	0	0	114	L121 C199 M218 L219 R220 F232	L121-A222 HydrophobicContact CD1-CB 4.16Å; C199-A222 WeakPolarHBondContact CB-O 3.44Å; C199-A222 VanDerWaalsContact SG-CA 3.58Å; M218-A222 WeakPolarHBondContact O-CB 3.47Å; M218-A222 PolarHBondContact O-N 2.99Å; L219-A222 PolarHBondContact O-N 3Å; R220-A222 PolarHBondContact O-N 3.26Å; A222-F232 HydrophobicContact CB-CD1 4.48Å; A222-F232 HydrophobicContact CB-CD2 3.91Å; A222-F232 HydrophobicContact CB-CE1 4.25Å; A222-F232 HydrophobicContact CB-CE2 3.67Å; A222-F232 HydrophobicContact CB-CG 4.33Å; A222-F232 HydrophobicContact CB-CZ 3.86Å
223	C	98.8	Very high	98.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-119.1	-22.5	-164	-58.2	0	0	0	0	115.6	L219 R220 L226 Y303 M305 K392	L219-C223 VanDerWaalsContact O-CB 3.29Å; L219-C223 WeakPolarHBondContact O-CB 3.46Å; L219-C223 PolarHBondContact O-N 2.75Å; L219-C223 PolarHBondContact O-SG 3Å; R220-C223 PolarHBondContact O-N 2.94Å; C223-L226 PolarHBondContact O-N 2.87Å; C223-Y303 HydrophobicContact CB-CG 4.08Å; C223-M305 HydrophobicContact CB-CG 3.88Å; C223-M305 HydrophobicContact CB-SD 3.91Å; C223-K392 PolarHBondContact O-NZ 2.95Å
224	E	98.1	Very high	98.7	Very high	45 Å²	45	24.5 Å²	24.5	21%	0.21	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-38.2	-173.2	79.2	175.7	-179.9	0	0	111.8	S186 R220	S186-E224 VanDerWaalsContact CB-OE1 3.25Å; S186-E224 WeakPolarHBondContact CB-OE1 3.42Å; S186-E224 PolarHBondContact OG-OE1 3.17Å; R220-E224 HydrophobicContact CG-CB 4.2Å; R220-E224 HydrophobicContact CG-CG 4.34Å; R220-E224 WeakPolarHBondContact CG-OE2 3.49Å; R220-E224 IonicContact CZ-OE2 3.95Å; R220-E224 IonicContact NE-OE2 2.74Å; R220-E224 PolarHBondContact NE-OE2 3.25Å; R220-E224 IonicContact NH2-OE2 3.63Å; R220-E224 PolarHBondContact NH2-OE2 2.92Å; R220-E224 VanDerWaalsContact O-CB 3.28Å; R220-E224 WeakPolarHBondContact O-CB 3.45Å; R220-E224 WeakPolarHBondContact O-CG 3.4Å; R220-E224 PolarHBondContact O-N 3.06Å
225	R	98.4	Very high	98.7	Very high	64 Å²	64	23.4 Å²	23.4	24%	0.242	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	13.3	179.2	-62.7	-50.7	-171.4	127.5	5.6	113.8	P192 M195 F196	P192-R225 VanDerWaalsContact O-CZ 3.25Å; P192-R225 PolarHBondContact O-NH1 3.46Å; P192-R225 PolarHBondContact O-NH2 3.28Å; M195-R225 CarbonylContact C-O 3.58Å; M195-R225 WeakPolarHBondContact CA-O 3.38Å; M195-R225 HydrophobicContact SD-CB 4.21Å; F196-R225 HydrophobicContact CD2-CB 3.69Å; F196-R225 HydrophobicContact CE2-CB 3.84Å; F196-R225 PolarHBondContact N-O 3.02Å
226	L	98.8	Very high	98.7	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.01	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	131.5	170	-76	175	0	0	0	110.5	M195 F196 C199 C223 F232 M305 K392	M195-L226 WeakPolarHBondContact CE-O 3.48Å; F196-L226 HydrophobicContact CB-CD2 4.15Å; F196-L226 WeakPolarHBondContact O-CA 3.33Å; C199-L226 HydrophobicContact CB-CD2 4.12Å; C223-L226 PolarHBondContact O-N 2.87Å; L226-F232 HydrophobicContact CD1-CB 3.93Å; L226-M305 HydrophobicContact CD1-CE 3.57Å; L226-M305 HydrophobicContact CD1-SD 4.12Å; L226-K392 HydrophobicContact CB-CB 4.06Å; L226-K392 HydrophobicContact CB-CD 4.25Å; L226-K392 HydrophobicContact CB-CG 4.15Å
227	K	98.4	Very high	98.7	Very high	62 Å²	62	22 Å²	22	27%	0.27	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	148.9	169.4	-63.6	172.7	-173.3	167.4	0	109.7	M195 F196 D197 G229 G230 K392	M195-K227 HydrophobicContact CB-CD 4.48Å; M195-K227 HydrophobicContact CB-CG 3.67Å; M195-K227 WeakPolarHBondContact O-CE 3.44Å; F196-K227 WeakPolarHBondContact O-CG 3.3Å; F196-K227 PolarHBondContact O-N 3.11Å; D197-K227 VanDerWaalsContact CG-NZ 3.3Å; D197-K227 WeakPolarHBondContact OD1-CD 3.45Å; D197-K227 IonicContact OD1-NZ 3.55Å; D197-K227 PolarHBondContact OD1-NZ 3.22Å; D197-K227 IonicContact OD2-NZ 3.53Å; D197-K227 PolarHBondContact OD2-NZ 2.97Å; K227-G229 PolarHBondContact O-N 2.95Å; K227-G230 WeakPolarHBondContact O-CA 3.43Å; K227-G230 PolarHBondContact O-N 3.47Å; K227-K392 WeakPolarHBondContact O-CB 3.36Å
228	P	98.2	Very high	98.7	Very high	93 Å²	93	20.4 Å²	20.4	60%	0.604	11%	0.107	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-50.1	129.5	166.2	-27.9	36.4	0	0	0	111.1	G230	P228-G230 VanDerWaalsContact C-N 3.28Å; P228-G230 PolarHBondContact O-N 3.23Å
229	G	98.2	Very high	98.7	Very high	32 Å²	32	20 Å²	20	33%	0.33	11%	0.105	S	C	.	.	E	Extended strand (participates in β ladder)	trans	83.5	-9.8	-173.5	0	0	0	0	0	115.4	K227 F231 Q391 K392	K227-G229 PolarHBondContact O-N 2.95Å; G229-F231 VanDerWaalsContact O-CE2 3.29Å; G229-F231 WeakPolarHBondContact O-CE2 3.44Å; G229-Q391 PolarHBondContact O-NE2 2.84Å; G229-K392 WeakPolarHBondContact CA-O 3.14Å; G229-K392 PolarHBondContact N-O 3.46Å
230	G	98.7	Very high	98.6	Very high	4 Å²	4	25.3 Å²	25.3	4%	0.041	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	167.1	174.8	0	0	0	0	0	113.3	D197 K227 P228 Q391 K392	D197-G230 CarbonylContact O-C 3.55Å; D197-G230 WeakPolarHBondContact O-CA 3.5Å; K227-G230 WeakPolarHBondContact O-CA 3.43Å; K227-G230 PolarHBondContact O-N 3.47Å; P228-G230 VanDerWaalsContact C-N 3.28Å; P228-G230 PolarHBondContact O-N 3.23Å; G230-Q391 CarbonylContact O-C 3.58Å; G230-Q391 WeakPolarHBondContact O-CA 3.44Å; G230-K392 PolarHBondContact O-N 2.83Å
231	F	98.9	Very high	98.6	Very high	8 Å²	8	21.9 Å²	21.9	4%	0.035	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	136.8	-168.9	-64.9	-87.1	0	0	0	113.3	I104 R107 V108 D197 I198 C199 G229 I233 V389 F390 Q391	I104-F231 HydrophobicContact CD1-CD1 4.14Å; I104-F231 HydrophobicContact CD1-CG 4.3Å; I104-F231 HydrophobicContact CG2-CB 3.81Å; I104-F231 HydrophobicContact CG2-CD2 3.9Å; I104-F231 HydrophobicContact CG2-CG 3.89Å; R107-F231 HydrophobicContact CB-CE2 4.18Å; R107-F231 HydrophobicContact CB-CZ 4.18Å; V108-F231 HydrophobicContact CG2-CD2 3.62Å; V108-F231 HydrophobicContact CG2-CE2 3.85Å; D197-F231 PolarHBondContact O-N 2.83Å; I198-F231 CarbonylContact C-O 3.52Å; I198-F231 WeakPolarHBondContact CA-O 3.26Å; C199-F231 PolarHBondContact N-O 2.99Å; G229-F231 VanDerWaalsContact O-CE2 3.29Å; G229-F231 WeakPolarHBondContact O-CE2 3.44Å; F231-I233 HydrophobicContact CB-CG2 3.93Å; F231-V389 HydrophobicContact CD1-CG1 3.7Å; F231-V389 HydrophobicContact CE1-CG1 4.33Å; F231-F390 CarbonylContact C-O 3.58Å; F231-F390 VanDerWaalsContact CA-O 3.29Å; F231-F390 WeakPolarHBondContact CA-O 3.43Å; F231-Q391 HydrophobicContact CD1-CB 3.99Å; F231-Q391 HydrophobicContact CD1-CG 4.2Å; F231-Q391 HydrophobicContact CE1-CB 3.85Å; F231-Q391 HydrophobicContact CE1-CG 3.82Å; F231-Q391 HydrophobicContact CZ-CG 4.18Å
232	F	98.9	Very high	98.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	116.7	162.8	174.7	-144.4	0	0	0	108.8	C199 C201 L219 A222 L226 F296 M305 F388 F390	C199-F232 HydrophobicContact CB-CD2 4.11Å; C199-F232 WeakPolarHBondContact O-CA 3.4Å; C201-F232 HydrophobicContact CB-CE2 3.54Å; C201-F232 HydrophobicContact CB-CZ 4.13Å; L219-F232 HydrophobicContact CD1-CD1 4.12Å; L219-F232 HydrophobicContact CD1-CE1 3.63Å; A222-F232 HydrophobicContact CB-CD1 4.48Å; A222-F232 HydrophobicContact CB-CD2 3.91Å; A222-F232 HydrophobicContact CB-CE1 4.25Å; A222-F232 HydrophobicContact CB-CE2 3.67Å; A222-F232 HydrophobicContact CB-CG 4.33Å; A222-F232 HydrophobicContact CB-CZ 3.86Å; L226-F232 HydrophobicContact CD1-CB 3.93Å; F232-F296 HydrophobicContact CD1-CZ 4.36Å; F232-F296 AromaticContact CE1-CE2 3.87Å; F232-F296 HydrophobicContact CE1-CE2 3.87Å; F232-F296 AromaticContact CE1-CZ 3.6Å; F232-F296 HydrophobicContact CE1-CZ 3.6Å; F232-F296 HydrophobicContact CZ-CZ 4.35Å; F232-M305 HydrophobicContact CB-CE 3.64Å; F232-F388 HydrophobicContact CD1-CE2 4.01Å; F232-F388 HydrophobicContact CD2-CE2 4.34Å; F232-F388 AromaticContact CE1-CE2 3.75Å; F232-F388 HydrophobicContact CE1-CE2 3.75Å; F232-F388 HydrophobicContact CE1-CZ 4.17Å; F232-F388 HydrophobicContact CE2-CE2 4.08Å; F232-F388 HydrophobicContact CE2-CZ 4.27Å; F232-F388 HydrophobicContact CG-CE2 4.3Å; F232-F388 AromaticContact CZ-CE2 3.77Å; F232-F388 HydrophobicContact CZ-CE2 3.77Å; F232-F388 AromaticContact CZ-CZ 3.84Å; F232-F388 HydrophobicContact CZ-CZ 3.84Å; F232-F390 HydrophobicContact CB-CB 4.3Å; F232-F390 HydrophobicContact CD1-CD2 4.2Å; F232-F390 PolarHBondContact N-O 2.76Å; F232-F390 PolarHBondContact O-N 3.23Å
233	I	98.9	Very high	98.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	148.8	-173.3	68.9	175.5	0	0	0	110.5	L100 I101 I104 I198 C199 S200 C201 F231 F388 V389	L100-I233 HydrophobicContact CD2-CB 4.42Å; L100-I233 HydrophobicContact CG-CD1 4.29Å; I101-I233 HydrophobicContact CG1-CD1 4.22Å; I104-I233 HydrophobicContact CB-CD1 4.41Å; I104-I233 HydrophobicContact CD1-CG2 3.96Å; I104-I233 HydrophobicContact CG1-CD1 4.34Å; I104-I233 HydrophobicContact CG1-CG2 3.93Å; I104-I233 HydrophobicContact CG2-CD1 4.42Å; I104-I233 HydrophobicContact CG2-CG2 4.18Å; I198-I233 HydrophobicContact CG2-CD1 3.89Å; I198-I233 HydrophobicContact CG2-CG1 4.08Å; C199-I233 PolarHBondContact O-N 2.76Å; S200-I233 CarbonylContact C-O 3.54Å; S200-I233 WeakPolarHBondContact CA-O 3.42Å; C201-I233 PolarHBondContact N-O 3.45Å; F231-I233 HydrophobicContact CB-CG2 3.93Å; I233-F388 WeakPolarHBondContact CA-O 3.46Å; I233-V389 HydrophobicContact CG2-CB 4.4Å; I233-V389 HydrophobicContact CG2-CG1 4.04Å; I233-V389 HydrophobicContact CG2-CG2 4.09Å
234	G	98.8	Very high	98.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.3	-179.1	-179.8	0	0	0	0	0	115	C201 F388	C201-G234 WeakPolarHBondContact O-CA 3.1Å; G234-F388 VanDerWaalsContact C-CE1 3.46Å; G234-F388 VanDerWaalsContact CA-CZ 3.47Å; G234-F388 PolarHBondContact N-O 3.35Å; G234-F388 VanDerWaalsContact N-O 3.11Å; G234-F388 PolarHBondContact O-N 2.75Å
235	T	98.9	Very high	98.5	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.012	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	136.9	178.1	46.4	0	0	0	0	109.4	C201 Q202 F203 F313 L386 V387	C201-T235 PolarHBondContact O-N 3.16Å; Q202-T235 WeakPolarHBondContact CA-OG1 3.39Å; Q202-T235 PolarHBondContact OE1-OG1 3.16Å; F203-T235 WeakPolarHBondContact CA-O 3.33Å; F203-T235 PolarHBondContact N-O 2.76Å; F203-T235 PolarHBondContact N-OG1 3.44Å; F203-T235 VanDerWaalsContact N-OG1 3.12Å; T235-F313 HydrophobicContact CG2-CE1 3.62Å; T235-F313 HydrophobicContact CG2-CZ 3.69Å; T235-L386 VanDerWaalsContact CA-O 3.29Å; T235-L386 WeakPolarHBondContact CA-O 3.43Å; T235-V387 HydrophobicContact CG2-CG2 3.94Å
236	T	98.8	Very high	98.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	156.1	-180	-163.5	0	0	0	0	110.1	H206 L386 F388	H206-T236 PolarHBondContact ND1-OG1 3.25Å; T236-L386 HydrophobicContact CG2-CD1 3.72Å; T236-L386 HydrophobicContact CG2-CG 4.38Å; T236-L386 PolarHBondContact N-O 3.19Å; T236-L386 VanDerWaalsContact N-O 3.17Å; T236-L386 WeakPolarHBondContact O-CG 3.36Å; T236-L386 PolarHBondContact O-N 3Å; T236-F388 HydrophobicContact CG2-CD1 4.26Å; T236-F388 HydrophobicContact CG2-CE1 4.22Å
237	P	98.6	Very high	98.5	Very high	4 Å²	4	30.7 Å²	30.7	3%	0.026	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	139.9	172.4	-28.4	37.7	0	0	0	112.6	H206 A239 L242 Y276 I384 Y385	H206-P237 VanDerWaalsContact ND1-CD 3.28Å; H206-P237 WeakPolarHBondContact ND1-CD 3.47Å; P237-A239 PolarHBondContact O-N 3.07Å; P237-L242 HydrophobicContact CB-CD1 3.7Å; P237-L242 HydrophobicContact CB-CG 4.39Å; P237-Y276 WeakPolarHBondContact CG-OH 3.28Å; P237-I384 HydrophobicContact CB-CG2 4.03Å; P237-Y385 HydrophobicContact CG-CD1 4Å; P237-Y385 HydrophobicContact CG-CE1 3.6Å
238	D	98.6	Very high	98.4	Very high	4 Å²	4	31.8 Å²	31.8	2%	0.021	18%	0.176	C	C	.	.			trans	-81.1	109.4	172.7	-176.4	3	0	0	0	109.5	Y240 E241 L242 R312 I384 L386	D238-Y240 PolarHBondContact O-N 3.26Å; D238-Y240 VanDerWaalsContact O-N 3.17Å; D238-Y240 PolarHBondContact OD1-N 3.02Å; D238-E241 HydrophobicContact CB-CB 4.06Å; D238-E241 PolarHBondContact O-N 3.37Å; D238-L242 PolarHBondContact O-N 2.66Å; D238-R312 IonicContact OD2-CZ 3.83Å; D238-R312 VanDerWaalsContact OD2-CZ 3.25Å; D238-R312 IonicContact OD2-NE 3.96Å; D238-R312 PolarHBondContact OD2-NE 3.42Å; D238-R312 IonicContact OD2-NH2 3.55Å; D238-R312 PolarHBondContact OD2-NH2 3.05Å; D238-I384 WeakPolarHBondContact CB-O 3.48Å; D238-I384 PolarHBondContact N-O 3.32Å; D238-L386 HydrophobicContact CB-CB 4.47Å; D238-L386 HydrophobicContact CB-CD2 3.82Å; D238-L386 HydrophobicContact CB-CG 4.24Å
239	A	98.4	Very high	98.4	Very high	4 Å²	4	28.5 Å²	28.5	3%	0.033	16%	0.155	C	C	.	.	H	α-helix	trans	-54.6	-34.5	178	0	0	0	0	0	113.2	P237 E241 V243 L290 V291	P237-A239 PolarHBondContact O-N 3.07Å; A239-E241 VanDerWaalsContact C-N 3.35Å; A239-V243 WeakPolarHBondContact O-CB 3.42Å; A239-V243 VanDerWaalsContact O-CG2 3.31Å; A239-V243 WeakPolarHBondContact O-CG2 3.31Å; A239-V243 PolarHBondContact O-N 3.39Å; A239-L290 HydrophobicContact CB-CD1 3.65Å; A239-L290 HydrophobicContact CB-CD2 4.28Å; A239-L290 HydrophobicContact CB-CG 3.69Å; A239-V291 WeakPolarHBondContact CB-O 3.35Å
240	Y	98.1	Very high	98.2	Very high	113 Å²	113	35.1 Å²	35.1	44%	0.443	18%	0.183	S	C	.	.	H	α-helix	trans	-65.8	-39.7	177.5	-70.4	-70.1	0	0	0	111.8	D238 K244 Y292	D238-Y240 PolarHBondContact O-N 3.26Å; D238-Y240 VanDerWaalsContact O-N 3.17Å; D238-Y240 PolarHBondContact OD1-N 3.02Å; Y240-K244 WeakPolarHBondContact O-CB 3.49Å; Y240-K244 PolarHBondContact O-N 3.49Å; Y240-Y292 HydrophobicContact CE1-CE2 4.37Å; Y240-Y292 AromaticContact CZ-CE2 3.88Å; Y240-Y292 WeakPolarHBondContact OH-CE2 3.08Å
241	E	98.2	Very high	98.1	Very high	16 Å²	16	37.8 Å²	37.8	8%	0.075	20%	0.201	C	C	.	.	H	α-helix	trans	-71.2	-41.8	179.2	-168.3	59.4	-154.1	0	0	111.3	D238 A239 R245 R312	D238-E241 HydrophobicContact CB-CB 4.06Å; D238-E241 PolarHBondContact O-N 3.37Å; A239-E241 VanDerWaalsContact C-N 3.35Å; E241-R245 WeakPolarHBondContact O-CG 3.28Å; E241-R245 PolarHBondContact O-N 2.85Å; E241-R245 IonicContact OE1-CZ 3.76Å; E241-R245 VanDerWaalsContact OE1-CZ 3.29Å; E241-R245 IonicContact OE1-NE 3.61Å; E241-R245 PolarHBondContact OE1-NE 2.77Å; E241-R245 IonicContact OE1-NH2 3.65Å; E241-R245 PolarHBondContact OE1-NH2 2.84Å; E241-R312 IonicContact OE2-CZ 2.66Å; E241-R312 IonicContact OE2-NH1 2.84Å; E241-R312 PolarHBondContact OE2-NH1 3.27Å; E241-R312 IonicContact OE2-NH2 2.66Å; E241-R312 PolarHBondContact OE2-NH2 3.3Å
242	L	98.5	Very high	98.1	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-59.8	-51.3	175.5	-70.7	176.6	0	0	0	112	P237 D238 R245 L246 F254 V261 F263 Y276 L290 I384	P237-L242 HydrophobicContact CB-CD1 3.7Å; P237-L242 HydrophobicContact CB-CG 4.39Å; D238-L242 PolarHBondContact O-N 2.66Å; L242-R245 PolarHBondContact O-N 3.44Å; L242-L246 WeakPolarHBondContact O-CB 3.33Å; L242-L246 PolarHBondContact O-N 3.15Å; L242-F254 HydrophobicContact CD2-CZ 3.8Å; L242-F254 WeakPolarHBondContact O-CE1 3.48Å; L242-V261 HydrophobicContact CD2-CG1 4.33Å; L242-V261 HydrophobicContact CD2-CG2 4.36Å; L242-F263 HydrophobicContact CB-CZ 4.19Å; L242-Y276 HydrophobicContact CD1-CD1 4.46Å; L242-Y276 HydrophobicContact CD1-CE1 3.74Å; L242-Y276 HydrophobicContact CD1-CE2 4.33Å; L242-L290 HydrophobicContact CB-CD1 4.02Å; L242-L290 HydrophobicContact CD1-CD1 3.67Å; L242-I384 HydrophobicContact CD2-CG2 3.55Å; L242-I384 HydrophobicContact CG-CG2 4.03Å
243	V	98.3	Very high	98	Very high	33 Å²	33	42.1 Å²	42.1	20%	0.2	23%	0.227	C	C	.	.	H	α-helix	trans	-66	-42.5	-179.7	172.1	0	0	0	0	110.9	A239 R245 L246 E247 Y269 L290	A239-V243 WeakPolarHBondContact O-CB 3.42Å; A239-V243 VanDerWaalsContact O-CG2 3.31Å; A239-V243 WeakPolarHBondContact O-CG2 3.31Å; A239-V243 PolarHBondContact O-N 3.39Å; V243-R245 VanDerWaalsContact C-N 3.32Å; V243-R245 PolarHBondContact O-N 3.02Å; V243-L246 PolarHBondContact O-N 3.45Å; V243-E247 HydrophobicContact CG1-CG 3.98Å; V243-E247 WeakPolarHBondContact O-CB 3.22Å; V243-E247 WeakPolarHBondContact O-CG 3.48Å; V243-E247 PolarHBondContact O-N 3.49Å; V243-Y269 HydrophobicContact CG1-CD2 4.19Å; V243-Y269 HydrophobicContact CG1-CE1 4.49Å; V243-Y269 HydrophobicContact CG1-CE2 3.6Å; V243-Y269 HydrophobicContact CG2-CD1 4Å; V243-Y269 HydrophobicContact CG2-CD2 4.29Å; V243-Y269 HydrophobicContact CG2-CE1 3.95Å; V243-Y269 HydrophobicContact CG2-CE2 4.23Å; V243-Y269 HydrophobicContact CG2-CG 4.18Å; V243-L290 HydrophobicContact CG2-CD1 4.39Å; V243-L290 HydrophobicContact CG2-CD2 3.81Å
244	K	98.1	Very high	98	Very high	136 Å²	136	43.4 Å²	43.4	59%	0.591	23%	0.232	S	C	*	.	H	α-helix	trans	-55.9	-46.1	176.6	177.5	-173.5	173.8	-167.8	0	111.9	Y240 A248	Y240-K244 WeakPolarHBondContact O-CB 3.49Å; Y240-K244 PolarHBondContact O-N 3.49Å; K244-A248 WeakPolarHBondContact O-CB 3.21Å; K244-A248 PolarHBondContact O-N 2.93Å; K244-A248 VanDerWaalsContact O-N 3.14Å
245	R	98.3	Very high	97.9	Very high	45 Å²	45	45.6 Å²	45.6	17%	0.17	26%	0.255	C	S	.	.	H	α-helix	trans	-71.4	-36.7	179.8	-68.8	-179.2	-170	-167.6	8.3	112.6	E241 L242 V243 S249 F254 D380 S383	E241-R245 WeakPolarHBondContact O-CG 3.28Å; E241-R245 PolarHBondContact O-N 2.85Å; E241-R245 IonicContact OE1-CZ 3.76Å; E241-R245 VanDerWaalsContact OE1-CZ 3.29Å; E241-R245 IonicContact OE1-NE 3.61Å; E241-R245 PolarHBondContact OE1-NE 2.77Å; E241-R245 IonicContact OE1-NH2 3.65Å; E241-R245 PolarHBondContact OE1-NH2 2.84Å; L242-R245 PolarHBondContact O-N 3.44Å; V243-R245 VanDerWaalsContact C-N 3.32Å; V243-R245 PolarHBondContact O-N 3.02Å; R245-S249 PolarHBondContact O-N 2.51Å; R245-F254 HydrophobicContact CB-CD1 3.97Å; R245-F254 HydrophobicContact CB-CD2 3.71Å; R245-F254 HydrophobicContact CB-CE1 3.94Å; R245-F254 HydrophobicContact CB-CE2 3.69Å; R245-F254 HydrophobicContact CB-CG 3.86Å; R245-F254 HydrophobicContact CB-CZ 3.8Å; R245-F254 HydrophobicContact CG-CD2 4.44Å; R245-F254 HydrophobicContact CG-CE2 4.3Å; R245-D380 PolarHBondContact NH1-O 3.18Å; R245-S383 PolarHBondContact NH2-OG 3.25Å
246	L	98.3	Very high	97.8	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63.7	-47.5	174.5	176.3	65.3	0	0	0	111.8	L242 V243 A248 S249 F254 F263 K266 Y269	L242-L246 WeakPolarHBondContact O-CB 3.33Å; L242-L246 PolarHBondContact O-N 3.15Å; V243-L246 PolarHBondContact O-N 3.45Å; L246-A248 VanDerWaalsContact C-N 3.28Å; L246-A248 PolarHBondContact O-N 3.01Å; L246-S249 WeakPolarHBondContact O-CB 3.44Å; L246-S249 PolarHBondContact O-N 3.24Å; L246-F254 HydrophobicContact CB-CD1 4.19Å; L246-F254 HydrophobicContact CB-CE1 4.03Å; L246-F263 HydrophobicContact CB-CD2 4.44Å; L246-F263 HydrophobicContact CB-CE2 4.44Å; L246-F263 HydrophobicContact CD1-CB 4.1Å; L246-F263 HydrophobicContact CD1-CD2 3.94Å; L246-F263 HydrophobicContact CD1-CG 4.22Å; L246-F263 HydrophobicContact CD2-CB 3.86Å; L246-F263 HydrophobicContact CD2-CD1 3.75Å; L246-F263 HydrophobicContact CD2-CD2 3.61Å; L246-F263 HydrophobicContact CD2-CE1 4.15Å; L246-F263 HydrophobicContact CD2-CE2 4.02Å; L246-F263 HydrophobicContact CD2-CG 3.46Å; L246-F263 VanDerWaalsContact CD2-CG 3.46Å; L246-F263 HydrophobicContact CD2-CZ 4.28Å; L246-F263 HydrophobicContact CG-CD2 4.22Å; L246-F263 HydrophobicContact CG-CG 4.43Å; L246-K266 HydrophobicContact CD2-CB 4.12Å; L246-K266 HydrophobicContact CG-CB 4.18Å; L246-Y269 HydrophobicContact CD2-CE1 3.73Å; L246-Y269 VanDerWaalsContact CD2-OH 3.26Å; L246-Y269 WeakPolarHBondContact CD2-OH 3.28Å
247	E	97.7	Very high	97.5	Very high	88 Å²	88	52 Å²	52	41%	0.411	29%	0.286	S	S	.	.	H	α-helix	trans	-70.8	-25.8	-178	-67.4	-69.5	-169.3	0	0	112.5	V243 S249 G267 Y269	V243-E247 HydrophobicContact CG1-CG 3.98Å; V243-E247 WeakPolarHBondContact O-CB 3.22Å; V243-E247 WeakPolarHBondContact O-CG 3.48Å; V243-E247 PolarHBondContact O-N 3.49Å; E247-S249 VanDerWaalsContact C-N 3.28Å; E247-G267 WeakPolarHBondContact OE1-CA 3.3Å; E247-G267 PolarHBondContact OE1-N 3.38Å; E247-G267 VanDerWaalsContact OE1-N 3.09Å; E247-Y269 VanDerWaalsContact CD-OH 3.3Å; E247-Y269 WeakPolarHBondContact OE1-CE2 3.27Å; E247-Y269 PolarHBondContact OE1-OH 3.47Å
248	A	97.6	Very high	97.3	Very high	85 Å²	85	52 Å²	52	70%	0.702	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-11.7	170.1	0	0	0	0	0	113.6	K244 L246	K244-A248 WeakPolarHBondContact O-CB 3.21Å; K244-A248 PolarHBondContact O-N 2.93Å; K244-A248 VanDerWaalsContact O-N 3.14Å; L246-A248 VanDerWaalsContact C-N 3.28Å; L246-A248 PolarHBondContact O-N 3.01Å
249	S	96.9	Very high	97.3	Very high	24 Å²	24	52 Å²	52	17%	0.168	29%	0.286	C	S	.	.	S	Bend	trans	-87.2	140.5	179.7	-175	0	0	0	0	111.7	R245 L246 E247 S251 S253 K266	R245-S249 PolarHBondContact O-N 2.51Å; L246-S249 WeakPolarHBondContact O-CB 3.44Å; L246-S249 PolarHBondContact O-N 3.24Å; E247-S249 VanDerWaalsContact C-N 3.28Å; S249-S251 PolarHBondContact O-N 3.23Å; S249-S251 PolarHBondContact OG-N 3.42Å; S249-S251 PolarHBondContact OG-O 3.24Å; S249-S251 PolarHBondContact OG-OG 2.85Å; S249-S253 PolarHBondContact OG-O 3.26Å; S249-K266 PolarHBondContact O-NZ 3.12Å
250	D	95.4	Very high	97.3	Very high	170 Å²	170	57 Å²	57	91%	0.909	31%	0.307	S	S	*	.	S	Bend	trans	-69.4	-11.5	170.8	-64.8	-39.7	0	0	0	112.5
251	S	96.6	Very high	97.3	Very high	60 Å²	60	51.6 Å²	51.6	42%	0.42	29%	0.286	S	S	.	.	S	Bend	trans	-123.9	179.5	-178.5	77.5	0	0	0	0	112.5	S249 S253	S249-S251 PolarHBondContact O-N 3.23Å; S249-S251 PolarHBondContact OG-N 3.42Å; S249-S251 PolarHBondContact OG-O 3.24Å; S249-S251 PolarHBondContact OG-OG 2.85Å; S251-S253 PolarHBondContact O-N 3.01Å; S251-S253 PolarHBondContact OG-N 3.19Å; S251-S253 VanDerWaalsContact OG-N 3.12Å; S251-S253 PolarHBondContact OG-O 3.09Å
252	L	97.3	Very high	97.3	Very high	68 Å²	68	52.4 Å²	52.4	36%	0.356	29%	0.293	S	S	.	.	S	Bend	trans	-81.8	13.6	171	-63.1	178.1	0	0	0	112.8	S262 F263 K266	L252-S262 CarbonylContact O-C 3.58Å; L252-S262 WeakPolarHBondContact O-CA 3.47Å; L252-F263 PolarHBondContact O-N 2.94Å; L252-K266 HydrophobicContact CD2-CB 3.98Å; L252-K266 HydrophobicContact CD2-CD 4.29Å; L252-K266 HydrophobicContact CD2-CG 3.87Å
253	S	97.9	Very high	97.3	Very high	32 Å²	32	52.9 Å²	52.9	22%	0.224	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	152.3	-179.3	-53.5	0	0	0	0	111.9	S249 S251 V261 S262	S249-S253 PolarHBondContact OG-O 3.26Å; S251-S253 PolarHBondContact O-N 3.01Å; S251-S253 PolarHBondContact OG-N 3.19Å; S251-S253 VanDerWaalsContact OG-N 3.12Å; S251-S253 PolarHBondContact OG-O 3.09Å; S253-V261 CarbonylContact C-O 3.57Å; S253-V261 WeakPolarHBondContact CA-O 3.49Å; S253-V261 WeakPolarHBondContact CB-O 3.28Å; S253-S262 WeakPolarHBondContact OG-CB 3.4Å; S253-S262 PolarHBondContact OG-OG 3.35Å
254	F	98.2	Very high	97.1	Very high	26 Å²	26	57.6 Å²	57.6	11%	0.114	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	160.6	168.4	64.9	-91.7	0	0	0	109.4	L242 R245 L246 F259 V261 F263 I384	L242-F254 HydrophobicContact CD2-CZ 3.8Å; L242-F254 WeakPolarHBondContact O-CE1 3.48Å; R245-F254 HydrophobicContact CB-CD1 3.97Å; R245-F254 HydrophobicContact CB-CD2 3.71Å; R245-F254 HydrophobicContact CB-CE1 3.94Å; R245-F254 HydrophobicContact CB-CE2 3.69Å; R245-F254 HydrophobicContact CB-CG 3.86Å; R245-F254 HydrophobicContact CB-CZ 3.8Å; R245-F254 HydrophobicContact CG-CD2 4.44Å; R245-F254 HydrophobicContact CG-CE2 4.3Å; L246-F254 HydrophobicContact CB-CD1 4.19Å; L246-F254 HydrophobicContact CB-CE1 4.03Å; F254-F259 HydrophobicContact CD2-CE2 4.09Å; F254-F259 HydrophobicContact CD2-CZ 4.38Å; F254-F259 AromaticContact CE2-CE2 3.94Å; F254-F259 HydrophobicContact CE2-CE2 3.94Å; F254-F259 HydrophobicContact CE2-CZ 4.44Å; F254-V261 HydrophobicContact CD1-CB 4.25Å; F254-V261 HydrophobicContact CD2-CB 4.37Å; F254-V261 HydrophobicContact CD2-CG2 4.31Å; F254-V261 HydrophobicContact CE1-CB 3.78Å; F254-V261 HydrophobicContact CE1-CG1 3.96Å; F254-V261 HydrophobicContact CE1-CG2 4.34Å; F254-V261 HydrophobicContact CE2-CB 3.91Å; F254-V261 HydrophobicContact CE2-CG2 3.61Å; F254-V261 HydrophobicContact CZ-CB 3.59Å; F254-V261 HydrophobicContact CZ-CG1 3.9Å; F254-V261 HydrophobicContact CZ-CG2 3.64Å; F254-V261 PolarHBondContact N-O 3.15Å; F254-V261 PolarHBondContact O-N 3.34Å; F254-F263 HydrophobicContact CE1-CE2 4.07Å; F254-I384 HydrophobicContact CE2-CD1 4.32Å
255	G	97.2	Very high	96.9	Very high	46 Å²	46	54 Å²	54	47%	0.474	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	155.2	-169.6	-176.7	0	0	0	0	0	111.8	F259	G255-F259 CarbonylContact C-O 3.55Å; G255-F259 WeakPolarHBondContact CA-O 3.42Å
256	N	96.3	Very high	96.7	Very high	43 Å²	43	56.3 Å²	56.3	23%	0.23	32%	0.318	C	S	.	.			trans	-147.1	-159.6	177.5	59.4	30.5	0	0	0	108.9	V258 F259 S377 D380	N256-V258 VanDerWaalsContact C-N 3.28Å; N256-V258 PolarHBondContact O-N 3.47Å; N256-V258 VanDerWaalsContact OD1-CG2 3.23Å; N256-V258 WeakPolarHBondContact OD1-CG2 3.41Å; N256-V258 PolarHBondContact OD1-N 2.81Å; N256-F259 PolarHBondContact N-O 3.11Å; N256-F259 VanDerWaalsContact ND2-CE1 3.27Å; N256-F259 WeakPolarHBondContact ND2-CE1 3.36Å; N256-F259 WeakPolarHBondContact OD1-CD1 3.5Å; N256-F259 PolarHBondContact OD1-N 3.05Å; N256-S377 WeakPolarHBondContact ND2-CA 3.28Å; N256-S377 VanDerWaalsContact ND2-CB 3.34Å; N256-S377 WeakPolarHBondContact ND2-CB 3.46Å; N256-S377 PolarHBondContact ND2-O 3.49Å; N256-S377 PolarHBondContact ND2-OG 3.38Å; N256-D380 WeakPolarHBondContact ND2-CB 3.19Å
257	E	93.3	Very high	96.4	Very high	94 Å²	94	59.1 Å²	59.1	44%	0.439	35%	0.348	S	S	.	.	S	Bend	trans	-69.6	-21.7	-177.1	76.5	-79.1	-173.4	0	0	114.3	R85 S377	R85-E257 IonicContact CZ-OE1 3.97Å; R85-E257 IonicContact NH2-OE1 2.96Å; R85-E257 PolarHBondContact NH2-OE1 3.1Å; E257-S377 WeakPolarHBondContact OE1-CB 3.3Å; E257-S377 PolarHBondContact OE1-OG 3.13Å; E257-S377 WeakPolarHBondContact OE2-CB 3.21Å; E257-S377 PolarHBondContact OE2-OG 3.04Å
258	V	95	Very high	96.3	Very high	3 Å²	3	58.7 Å²	58.7	2%	0.018	35%	0.354	C	S	.	.	S	Bend	trans	-97.7	-27.9	-178.3	-53.8	0	0	0	0	113.2	R85 I86 N256 L280 E281 S377 A381	R85-V258 HydrophobicContact CG-CG1 4.06Å; I86-V258 HydrophobicContact CG2-CB 3.88Å; I86-V258 HydrophobicContact CG2-CG1 3.98Å; N256-V258 VanDerWaalsContact C-N 3.28Å; N256-V258 PolarHBondContact O-N 3.47Å; N256-V258 VanDerWaalsContact OD1-CG2 3.23Å; N256-V258 WeakPolarHBondContact OD1-CG2 3.41Å; N256-V258 PolarHBondContact OD1-N 2.81Å; V258-L280 WeakPolarHBondContact O-CA 3.47Å; V258-L280 WeakPolarHBondContact O-CD1 3.44Å; V258-E281 PolarHBondContact O-N 3.38Å; V258-S377 VanDerWaalsContact CG2-O 3.24Å; V258-S377 WeakPolarHBondContact CG2-O 3.33Å; V258-A381 HydrophobicContact CG2-CB 3.94Å
259	F	97.4	Very high	96.3	Very high	6 Å²	6	57.6 Å²	57.6	3%	0.026	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	155.7	179.6	86.2	-79.6	0	0	0	113.2	F254 G255 N256 V261 F278 S279 L280 D380 A381 I384	F254-F259 HydrophobicContact CD2-CE2 4.09Å; F254-F259 HydrophobicContact CD2-CZ 4.38Å; F254-F259 AromaticContact CE2-CE2 3.94Å; F254-F259 HydrophobicContact CE2-CE2 3.94Å; F254-F259 HydrophobicContact CE2-CZ 4.44Å; G255-F259 CarbonylContact C-O 3.55Å; G255-F259 WeakPolarHBondContact CA-O 3.42Å; N256-F259 PolarHBondContact N-O 3.11Å; N256-F259 VanDerWaalsContact ND2-CE1 3.27Å; N256-F259 WeakPolarHBondContact ND2-CE1 3.36Å; N256-F259 WeakPolarHBondContact OD1-CD1 3.5Å; N256-F259 PolarHBondContact OD1-N 3.05Å; F259-V261 HydrophobicContact CD2-CG2 3.91Å; F259-V261 HydrophobicContact CE2-CG2 3.83Å; F259-F278 HydrophobicContact CD2-CE2 4.14Å; F259-S279 CarbonylContact C-O 3.54Å; F259-S279 WeakPolarHBondContact CA-O 3.37Å; F259-L280 HydrophobicContact CB-CD1 3.74Å; F259-D380 HydrophobicContact CE1-CB 3.93Å; F259-A381 HydrophobicContact CB-CB 4.21Å; F259-A381 HydrophobicContact CD1-CB 3.49Å; F259-A381 VanDerWaalsContact CD1-CB 3.49Å; F259-A381 HydrophobicContact CE1-CB 4.09Å; F259-A381 HydrophobicContact CG-CB 3.98Å; F259-I384 HydrophobicContact CD2-CD1 3.83Å; F259-I384 HydrophobicContact CE2-CD1 3.28Å; F259-I384 HydrophobicContact CZ-CD1 3.69Å
260	K	98.1	Very high	96.3	Very high	107 Å²	107	59.5 Å²	59.5	47%	0.465	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	139.8	172.2	-177.6	179.9	-179.8	178.3	0	111	S279	K260-S279 WeakPolarHBondContact CB-OG 3.38Å; K260-S279 PolarHBondContact N-O 3.34Å; K260-S279 PolarHBondContact O-N 2.75Å; K260-S279 PolarHBondContact O-OG 2.57Å
261	V	98.3	Very high	96.5	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	130.5	175.1	-169	0	0	0	0	108.5	L242 S253 F254 F259 F263 Y276 H277 F278 I384	L242-V261 HydrophobicContact CD2-CG1 4.33Å; L242-V261 HydrophobicContact CD2-CG2 4.36Å; S253-V261 CarbonylContact C-O 3.57Å; S253-V261 WeakPolarHBondContact CA-O 3.49Å; S253-V261 WeakPolarHBondContact CB-O 3.28Å; F254-V261 HydrophobicContact CD1-CB 4.25Å; F254-V261 HydrophobicContact CD2-CB 4.37Å; F254-V261 HydrophobicContact CD2-CG2 4.31Å; F254-V261 HydrophobicContact CE1-CB 3.78Å; F254-V261 HydrophobicContact CE1-CG1 3.96Å; F254-V261 HydrophobicContact CE1-CG2 4.34Å; F254-V261 HydrophobicContact CE2-CB 3.91Å; F254-V261 HydrophobicContact CE2-CG2 3.61Å; F254-V261 HydrophobicContact CZ-CB 3.59Å; F254-V261 HydrophobicContact CZ-CG1 3.9Å; F254-V261 HydrophobicContact CZ-CG2 3.64Å; F254-V261 PolarHBondContact N-O 3.15Å; F254-V261 PolarHBondContact O-N 3.34Å; F259-V261 HydrophobicContact CD2-CG2 3.91Å; F259-V261 HydrophobicContact CE2-CG2 3.83Å; V261-F263 HydrophobicContact CG1-CD2 3.96Å; V261-F263 HydrophobicContact CG1-CE2 3.56Å; V261-Y276 HydrophobicContact CG1-CD2 3.62Å; V261-Y276 HydrophobicContact CG1-CE2 4.36Å; V261-Y276 HydrophobicContact CG1-CG 4.08Å; V261-H277 CarbonylContact C-O 3.51Å; V261-H277 WeakPolarHBondContact CA-O 3.14Å; V261-F278 HydrophobicContact CG2-CD2 3.81Å; V261-F278 HydrophobicContact CG2-CE2 4.09Å; V261-I384 HydrophobicContact CG2-CD1 4.5Å
262	S	98.2	Very high	96.6	Very high	33 Å²	33	54.9 Å²	54.9	23%	0.231	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	114.8	179	-46.9	0	0	0	0	110.8	L252 S253 Y276 H277	L252-S262 CarbonylContact O-C 3.58Å; L252-S262 WeakPolarHBondContact O-CA 3.47Å; S253-S262 WeakPolarHBondContact OG-CB 3.4Å; S253-S262 PolarHBondContact OG-OG 3.35Å; S262-Y276 CarbonylContact O-C 3.5Å; S262-Y276 WeakPolarHBondContact O-CA 3.44Å; S262-H277 PolarHBondContact N-O 3.05Å; S262-H277 PolarHBondContact O-N 3.41Å
263	F	97.9	Very high	96.6	Very high	11 Å²	11	53.2 Å²	53.2	5%	0.048	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	158.5	176.5	-78.8	-106.6	0	0	0	111.3	L242 L246 L252 F254 V261 Y269 Y276 L290	L242-F263 HydrophobicContact CB-CZ 4.19Å; L246-F263 HydrophobicContact CB-CD2 4.44Å; L246-F263 HydrophobicContact CB-CE2 4.44Å; L246-F263 HydrophobicContact CD1-CB 4.1Å; L246-F263 HydrophobicContact CD1-CD2 3.94Å; L246-F263 HydrophobicContact CD1-CG 4.22Å; L246-F263 HydrophobicContact CD2-CB 3.86Å; L246-F263 HydrophobicContact CD2-CD1 3.75Å; L246-F263 HydrophobicContact CD2-CD2 3.61Å; L246-F263 HydrophobicContact CD2-CE1 4.15Å; L246-F263 HydrophobicContact CD2-CE2 4.02Å; L246-F263 HydrophobicContact CD2-CG 3.46Å; L246-F263 VanDerWaalsContact CD2-CG 3.46Å; L246-F263 HydrophobicContact CD2-CZ 4.28Å; L246-F263 HydrophobicContact CG-CD2 4.22Å; L246-F263 HydrophobicContact CG-CG 4.43Å; L252-F263 PolarHBondContact O-N 2.94Å; F254-F263 HydrophobicContact CE1-CE2 4.07Å; V261-F263 HydrophobicContact CG1-CD2 3.96Å; V261-F263 HydrophobicContact CG1-CE2 3.56Å; F263-Y269 HydrophobicContact CD1-CE1 4.49Å; F263-Y269 HydrophobicContact CE1-CE1 4.45Å; F263-Y276 AromaticContact CE1-CD1 3.92Å; F263-Y276 HydrophobicContact CE1-CD1 3.92Å; F263-Y276 HydrophobicContact CE1-CG 4.22Å; F263-Y276 HydrophobicContact CE2-CD1 4.42Å; F263-Y276 HydrophobicContact CE2-CG 4.1Å; F263-Y276 AromaticContact CZ-CD1 3.76Å; F263-Y276 HydrophobicContact CZ-CD1 3.76Å; F263-Y276 AromaticContact CZ-CG 3.9Å; F263-Y276 HydrophobicContact CZ-CG 3.9Å; F263-L290 HydrophobicContact CE1-CD1 4.44Å; F263-L290 HydrophobicContact CZ-CD1 4.29Å
264	Q	94.5	Very high	96.6	Very high	132 Å²	132	52.1 Å²	52.1	62%	0.617	30%	0.304	S	S	*	.	S	Bend	trans	-78.2	-29.1	172.3	-62.3	-177.3	3.5	0	0	112.5	Q275	Q264-Q275 VanDerWaalsContact NE2-NE2 3.13Å
265	S	94	Very high	96.6	Very high	62 Å²	62	53.7 Å²	53.7	43%	0.434	31%	0.312	S	S	.	.			trans	-155.7	165.4	178.3	63.9	0	0	0	0	111.2
266	K	94.1	Very high	96.6	Very high	92 Å²	92	51.6 Å²	51.6	40%	0.4	29%	0.289	S	S	.	.	S	Bend	trans	-124.9	156.7	173.1	66.2	176.8	-179.1	177	0	111	L246 S249 L252 S268	L246-K266 HydrophobicContact CD2-CB 4.12Å; L246-K266 HydrophobicContact CG-CB 4.18Å; S249-K266 PolarHBondContact O-NZ 3.12Å; L252-K266 HydrophobicContact CD2-CB 3.98Å; L252-K266 HydrophobicContact CD2-CD 4.29Å; L252-K266 HydrophobicContact CD2-CG 3.87Å; K266-S268 VanDerWaalsContact C-N 3.3Å; K266-S268 PolarHBondContact O-N 2.96Å
267	G	93.3	Very high	96.6	Very high	60 Å²	60	52.7 Å²	52.7	62%	0.619	29%	0.293	S	S	*	.	S	Bend	trans	81.9	-9.5	-177.6	0	0	0	0	0	116.4	E247 Y269	E247-G267 WeakPolarHBondContact OE1-CA 3.3Å; E247-G267 PolarHBondContact OE1-N 3.38Å; E247-G267 VanDerWaalsContact OE1-N 3.09Å; G267-Y269 PolarHBondContact N-OH 3.45Å
268	S	94.1	Very high	96.8	Very high	78 Å²	78	48.3 Å²	48.3	55%	0.545	27%	0.273	S	S	.	.			trans	-135.5	119.3	173	-175.6	0	0	0	0	110.3	K266	K266-S268 VanDerWaalsContact C-N 3.3Å; K266-S268 PolarHBondContact O-N 2.96Å
269	Y	97.6	Very high	96.9	Very high	62 Å²	62	49.7 Å²	49.7	24%	0.243	28%	0.282	C	S	.	.			trans	-127.6	88.6	-173.7	-56.4	-69.1	0	0	0	109.2	V243 L246 E247 F263 G267 L290	V243-Y269 HydrophobicContact CG1-CD2 4.19Å; V243-Y269 HydrophobicContact CG1-CE1 4.49Å; V243-Y269 HydrophobicContact CG1-CE2 3.6Å; V243-Y269 HydrophobicContact CG2-CD1 4Å; V243-Y269 HydrophobicContact CG2-CD2 4.29Å; V243-Y269 HydrophobicContact CG2-CE1 3.95Å; V243-Y269 HydrophobicContact CG2-CE2 4.23Å; V243-Y269 HydrophobicContact CG2-CG 4.18Å; L246-Y269 HydrophobicContact CD2-CE1 3.73Å; L246-Y269 VanDerWaalsContact CD2-OH 3.26Å; L246-Y269 WeakPolarHBondContact CD2-OH 3.28Å; E247-Y269 VanDerWaalsContact CD-OH 3.3Å; E247-Y269 WeakPolarHBondContact OE1-CE2 3.27Å; E247-Y269 PolarHBondContact OE1-OH 3.47Å; F263-Y269 HydrophobicContact CD1-CE1 4.49Å; F263-Y269 HydrophobicContact CE1-CE1 4.45Å; G267-Y269 PolarHBondContact N-OH 3.45Å; Y269-L290 HydrophobicContact CD1-CD2 4.11Å; Y269-L290 HydrophobicContact CG-CD2 4.35Å
270	P	97.9	Very high	96.7	Very high	65 Å²	65	50.1 Å²	50.1	42%	0.422	29%	0.285	S	S	.	.			trans	-64.3	150.1	179.3	27.6	-34.1	0	0	0	110.7	F272 C274	P270-F272 WeakPolarHBondContact CB-O 3.27Å; P270-F272 PolarHBondContact O-N 3.26Å; P270-C274 HydrophobicContact CG-CB 3.85Å; P270-C274 WeakPolarHBondContact O-CB 3.29Å
271	L	98.4	Very high	96.2	Very high	92 Å²	92	49 Å²	49	48%	0.482	28%	0.281	S	S	.	.	S	Bend	trans	-61.4	-30.2	-177.6	-70.6	-179.2	0	0	0	113.4	Y292 L295	L271-Y292 HydrophobicContact CD2-CD1 3.96Å; L271-L295 HydrophobicContact CB-CD2 3.73Å; L271-L295 HydrophobicContact CD1-CD2 4.38Å; L271-L295 HydrophobicContact CD2-CD2 4.11Å; L271-L295 HydrophobicContact CG-CD2 4.27Å
272	F	98.6	Very high	95.4	Very high	41 Å²	41	52 Å²	52	18%	0.18	31%	0.312	C	S	.	.	S	Bend	trans	-133.6	154.5	174.2	-56.1	-77	0	0	0	109.1	F209 E212 A215 P270 C274 L295 M299	F209-F272 HydrophobicContact CD1-CD1 4.04Å; F209-F272 HydrophobicContact CD1-CE1 4.22Å; F209-F272 HydrophobicContact CE1-CD1 4.38Å; F209-F272 HydrophobicContact CE1-CE1 4.1Å; F209-F272 CarbonylContact O-C 3.57Å; F209-F272 WeakPolarHBondContact O-CA 3.17Å; E212-F272 HydrophobicContact CB-CD1 4.41Å; E212-F272 HydrophobicContact CB-CD2 3.77Å; E212-F272 HydrophobicContact CB-CE1 4.22Å; E212-F272 HydrophobicContact CB-CE2 3.53Å; E212-F272 HydrophobicContact CB-CG 4.2Å; E212-F272 HydrophobicContact CB-CZ 3.77Å; E212-F272 HydrophobicContact CG-CD2 4.48Å; E212-F272 HydrophobicContact CG-CE1 4.43Å; E212-F272 HydrophobicContact CG-CE2 3.74Å; E212-F272 HydrophobicContact CG-CZ 3.7Å; A215-F272 HydrophobicContact CB-CD1 4.16Å; A215-F272 HydrophobicContact CB-CE1 3.75Å; P270-F272 WeakPolarHBondContact CB-O 3.27Å; P270-F272 PolarHBondContact O-N 3.26Å; F272-C274 PolarHBondContact O-N 2.92Å; F272-L295 HydrophobicContact CE1-CD2 3.87Å; F272-L295 HydrophobicContact CE2-CD2 3.91Å; F272-L295 HydrophobicContact CZ-CD1 4.42Å; F272-L295 HydrophobicContact CZ-CD2 3.52Å; F272-L295 HydrophobicContact CZ-CG 4.26Å; F272-M299 HydrophobicContact CE1-CE 4.2Å; F272-M299 HydrophobicContact CE1-SD 3.86Å; F272-M299 HydrophobicContact CZ-CE 4.15Å; F272-M299 HydrophobicContact CZ-SD 3.7Å
273	G	97.8	Very high	94.6	Very high	32 Å²	32	52.5 Å²	52.5	33%	0.33	31%	0.313	S	S	.	.			trans	73.2	7.5	178.9	0	0	0	0	0	114.5	F209 E210 Q275	F209-G273 PolarHBondContact O-N 2.7Å; E210-G273 WeakPolarHBondContact O-CA 3.36Å; E210-G273 PolarHBondContact O-N 3.15Å; E210-G273 VanDerWaalsContact O-N 3.16Å; G273-Q275 VanDerWaalsContact C-N 3.27Å; G273-Q275 PolarHBondContact O-N 3.11Å
274	C	98	Very high	94	Very high	9 Å²	9	52.5 Å²	52.5	6%	0.061	31%	0.314	C	S	.	.			trans	-72.8	82.7	174.1	-173.9	0	0	0	0	110	P270 F272 F289 L290	P270-C274 HydrophobicContact CG-CB 3.85Å; P270-C274 WeakPolarHBondContact O-CB 3.29Å; F272-C274 PolarHBondContact O-N 2.92Å; C274-F289 WeakPolarHBondContact O-CA 3.35Å; C274-L290 HydrophobicContact CB-CB 3.76Å; C274-L290 PolarHBondContact O-N 2.87Å
275	Q	97.8	Very high	93.8	Very high	60 Å²	60	50.6 Å²	50.6	28%	0.28	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	136.9	-173.8	-162.2	-170.8	-77.3	0	0	112	Q264 G273 P287 E288 F289	Q264-Q275 VanDerWaalsContact NE2-NE2 3.13Å; G273-Q275 VanDerWaalsContact C-N 3.27Å; G273-Q275 PolarHBondContact O-N 3.11Å; Q275-P287 HydrophobicContact CG-CB 3.95Å; Q275-E288 WeakPolarHBondContact CA-O 3.46Å; Q275-E288 WeakPolarHBondContact CG-O 3.4Å; Q275-F289 HydrophobicContact CB-CD1 3.88Å; Q275-F289 HydrophobicContact CB-CE1 3.69Å; Q275-F289 HydrophobicContact CG-CD1 4.16Å; Q275-F289 HydrophobicContact CG-CE1 3.76Å; Q275-F289 HydrophobicContact CG-CZ 4.31Å
276	Y	97.9	Very high	93.7	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.008	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	153.7	161.5	60	-90.4	0	0	0	109.7	P237 L242 V261 S262 F263 F278 P287 E288 L290	P237-Y276 WeakPolarHBondContact CG-OH 3.28Å; L242-Y276 HydrophobicContact CD1-CD1 4.46Å; L242-Y276 HydrophobicContact CD1-CE1 3.74Å; L242-Y276 HydrophobicContact CD1-CE2 4.33Å; V261-Y276 HydrophobicContact CG1-CD2 3.62Å; V261-Y276 HydrophobicContact CG1-CE2 4.36Å; V261-Y276 HydrophobicContact CG1-CG 4.08Å; S262-Y276 CarbonylContact O-C 3.5Å; S262-Y276 WeakPolarHBondContact O-CA 3.44Å; F263-Y276 AromaticContact CE1-CD1 3.92Å; F263-Y276 HydrophobicContact CE1-CD1 3.92Å; F263-Y276 HydrophobicContact CE1-CG 4.22Å; F263-Y276 HydrophobicContact CE2-CD1 4.42Å; F263-Y276 HydrophobicContact CE2-CG 4.1Å; F263-Y276 AromaticContact CZ-CD1 3.76Å; F263-Y276 HydrophobicContact CZ-CD1 3.76Å; F263-Y276 AromaticContact CZ-CG 3.9Å; F263-Y276 HydrophobicContact CZ-CG 3.9Å; Y276-F278 HydrophobicContact CD2-CB 4.23Å; Y276-F278 HydrophobicContact CE2-CB 4.01Å; Y276-P287 CarbonylContact O-C 3.54Å; Y276-P287 WeakPolarHBondContact O-CA 3.17Å; Y276-E288 HydrophobicContact CD2-CB 4.1Å; Y276-E288 HydrophobicContact CE1-CB 4.12Å; Y276-E288 HydrophobicContact CE2-CB 3.47Å; Y276-E288 VanDerWaalsContact CE2-CB 3.47Å; Y276-E288 HydrophobicContact CE2-CG 4.19Å; Y276-E288 WeakPolarHBondContact CE2-OE2 3.31Å; Y276-E288 VanDerWaalsContact CZ-CB 3.45Å; Y276-E288 VanDerWaalsContact CZ-OE2 3.29Å; Y276-E288 PolarHBondContact N-O 3.35Å; Y276-E288 PolarHBondContact O-N 3.49Å; Y276-E288 VanDerWaalsContact O-O 3.1Å; Y276-E288 WeakPolarHBondContact OH-CB 3.32Å; Y276-E288 PolarHBondContact OH-OE2 3Å; Y276-L290 HydrophobicContact CE1-CB 4.47Å; Y276-L290 HydrophobicContact CE1-CD1 4.37Å
277	H	97.4	Very high	93.8	Very high	66 Å²	66	44.3 Å²	44.3	31%	0.306	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	124.4	173.5	-163.9	88.4	0	0	0	108.9	V261 S262 N285	V261-H277 CarbonylContact C-O 3.51Å; V261-H277 WeakPolarHBondContact CA-O 3.14Å; S262-H277 PolarHBondContact N-O 3.05Å; S262-H277 PolarHBondContact O-N 3.41Å; H277-N285 PolarHBondContact NE2-OD1 3.09Å
278	F	97.3	Very high	94	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.009	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	127.2	178.8	-173.3	-101.5	0	0	0	110	F259 V261 Y276 L280 V284 N285 V286 E288 Y385	F259-F278 HydrophobicContact CD2-CE2 4.14Å; V261-F278 HydrophobicContact CG2-CD2 3.81Å; V261-F278 HydrophobicContact CG2-CE2 4.09Å; Y276-F278 HydrophobicContact CD2-CB 4.23Å; Y276-F278 HydrophobicContact CE2-CB 4.01Å; F278-L280 HydrophobicContact CE1-CB 3.8Å; F278-L280 HydrophobicContact CE1-CD2 4.48Å; F278-L280 HydrophobicContact CZ-CB 4.28Å; F278-V284 HydrophobicContact CD1-CG1 3.45Å; F278-V284 VanDerWaalsContact CD1-CG1 3.45Å; F278-V284 HydrophobicContact CE1-CG1 3.55Å; F278-N285 WeakPolarHBondContact O-CA 3.42Å; F278-V286 PolarHBondContact N-O 2.71Å; F278-V286 PolarHBondContact O-N 3.26Å; F278-E288 HydrophobicContact CB-CG 4.1Å; F278-E288 WeakPolarHBondContact CD1-OE1 3.47Å; F278-Y385 WeakPolarHBondContact CE1-OH 3.35Å; F278-Y385 VanDerWaalsContact CZ-OH 3.27Å; F278-Y385 WeakPolarHBondContact CZ-OH 3.5Å
279	S	96.2	Very high	94.2	Very high	31 Å²	31	38.1 Å²	38.1	22%	0.217	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	132.8	172.4	63.9	0	0	0	0	110.4	F259 K260 V284	F259-S279 CarbonylContact C-O 3.54Å; F259-S279 WeakPolarHBondContact CA-O 3.37Å; K260-S279 WeakPolarHBondContact CB-OG 3.38Å; K260-S279 PolarHBondContact N-O 3.34Å; K260-S279 PolarHBondContact O-N 2.75Å; K260-S279 PolarHBondContact O-OG 2.57Å; S279-V284 CarbonylContact C-O 3.57Å; S279-V284 VanDerWaalsContact CA-O 3.31Å; S279-V284 WeakPolarHBondContact CA-O 3.33Å
280	L	93.7	Very high	94.2	Very high	16 Å²	16	35.7 Å²	35.7	8%	0.084	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	129.4	175.5	-172.8	67.6	0	0	0	108.6	I86 M89 V258 F259 F278 G282 V283 V284 A381	I86-L280 HydrophobicContact CD1-CG 4.36Å; M89-L280 HydrophobicContact CE-CD1 3.73Å; M89-L280 HydrophobicContact CE-CD2 3.73Å; M89-L280 HydrophobicContact CE-CG 4.08Å; M89-L280 HydrophobicContact SD-CD1 4.43Å; V258-L280 WeakPolarHBondContact O-CA 3.47Å; V258-L280 WeakPolarHBondContact O-CD1 3.44Å; F259-L280 HydrophobicContact CB-CD1 3.74Å; F278-L280 HydrophobicContact CE1-CB 3.8Å; F278-L280 HydrophobicContact CE1-CD2 4.48Å; F278-L280 HydrophobicContact CZ-CB 4.28Å; L280-G282 PolarHBondContact O-N 3Å; L280-G282 VanDerWaalsContact O-N 3.09Å; L280-V283 HydrophobicContact CB-CB 4.27Å; L280-V283 HydrophobicContact CD2-CB 3.87Å; L280-V283 HydrophobicContact CD2-CG1 4.14Å; L280-V283 HydrophobicContact CD2-CG2 4.01Å; L280-V283 HydrophobicContact CG-CB 4.2Å; L280-V283 HydrophobicContact CG-CG2 4.36Å; L280-V283 PolarHBondContact O-N 3.08Å; L280-V284 HydrophobicContact CB-CG1 3.66Å; L280-V284 PolarHBondContact N-O 2.85Å; L280-V284 PolarHBondContact O-N 3.23Å; L280-A381 HydrophobicContact CD1-CB 4.44Å
281	E	88.1	Confident	94.3	Very high	84 Å²	84	32.9 Å²	32.9	39%	0.393	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	115.6	-172.3	-167	-174.4	159.8	0	0	112.8	R85 I86 V258 V283	R85-E281 WeakPolarHBondContact CB-OE1 3.47Å; R85-E281 WeakPolarHBondContact CB-OE2 3.39Å; R85-E281 VanDerWaalsContact CG-OE2 3.23Å; R85-E281 WeakPolarHBondContact CG-OE2 3.48Å; I86-E281 WeakPolarHBondContact CD1-O 3.44Å; V258-E281 PolarHBondContact O-N 3.38Å; E281-V283 PolarHBondContact O-N 2.86Å; E281-V283 VanDerWaalsContact O-N 3.16Å
282	G	80.6	Confident	94.3	Very high	63 Å²	63	32.8 Å²	32.8	65%	0.649	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.3	16.4	177	0	0	0	0	0	115.5	R90 L280	R90-G282 PolarHBondContact NH2-O 2.8Å; L280-G282 PolarHBondContact O-N 3Å; L280-G282 VanDerWaalsContact O-N 3.09Å
283	V	80.7	Confident	94.3	Very high	42 Å²	42	31.1 Å²	31.1	26%	0.255	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.3	-57.3	178.3	-179.2	0	0	0	0	111.9	L73 I86 L280 E281	L73-V283 VanDerWaalsContact CD1-O 3.28Å; L73-V283 WeakPolarHBondContact CD1-O 3.37Å; I86-V283 HydrophobicContact CD1-CG2 3.34Å; L280-V283 HydrophobicContact CB-CB 4.27Å; L280-V283 HydrophobicContact CD2-CB 3.87Å; L280-V283 HydrophobicContact CD2-CG1 4.14Å; L280-V283 HydrophobicContact CD2-CG2 4.01Å; L280-V283 HydrophobicContact CG-CB 4.2Å; L280-V283 HydrophobicContact CG-CG2 4.36Å; L280-V283 PolarHBondContact O-N 3.08Å; E281-V283 PolarHBondContact O-N 2.86Å; E281-V283 VanDerWaalsContact O-N 3.16Å
284	V	86.6	Confident	94.4	Very high	11 Å²	11	31.8 Å²	31.8	7%	0.067	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	144.2	-169.9	68.6	0	0	0	0	110.9	H69 F278 S279 L280 V286	H69-V284 WeakPolarHBondContact NE2-CA 3.35Å; F278-V284 HydrophobicContact CD1-CG1 3.45Å; F278-V284 VanDerWaalsContact CD1-CG1 3.45Å; F278-V284 HydrophobicContact CE1-CG1 3.55Å; S279-V284 CarbonylContact C-O 3.57Å; S279-V284 VanDerWaalsContact CA-O 3.31Å; S279-V284 WeakPolarHBondContact CA-O 3.33Å; L280-V284 HydrophobicContact CB-CG1 3.66Å; L280-V284 PolarHBondContact N-O 2.85Å; L280-V284 PolarHBondContact O-N 3.23Å; V284-V286 HydrophobicContact CG2-CB 4.32Å; V284-V286 HydrophobicContact CG2-CG1 4.14Å; V284-V286 HydrophobicContact CG2-CG2 3.49Å; V284-V286 VanDerWaalsContact CG2-CG2 3.49Å
285	N	89.9	Confident	94.4	Very high	92 Å²	92	32.6 Å²	32.6	49%	0.492	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	72.8	173.7	-173.1	26.6	0	0	0	109.6	H69 H277 F278	H69-N285 PolarHBondContact CE1-N 3.38Å; H69-N285 VanDerWaalsContact CE1-N 3.27Å; H69-N285 PolarHBondContact NE2-N 2.95Å; H277-N285 PolarHBondContact NE2-OD1 3.09Å; F278-N285 WeakPolarHBondContact O-CA 3.42Å
286	V	92.3	Very high	94.4	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.024	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	157.4	-170.8	-57.2	0	0	0	0	111.6	H69 Y207 F278 V284 E288	H69-V286 HydrophobicContact CB-CG1 3.47Å; H69-V286 VanDerWaalsContact CB-CG1 3.47Å; H69-V286 WeakPolarHBondContact CD2-CG1 3.44Å; Y207-V286 HydrophobicContact CE1-CG2 3.7Å; F278-V286 PolarHBondContact N-O 2.71Å; F278-V286 PolarHBondContact O-N 3.26Å; V284-V286 HydrophobicContact CG2-CB 4.32Å; V284-V286 HydrophobicContact CG2-CG1 4.14Å; V284-V286 HydrophobicContact CG2-CG2 3.49Å; V284-V286 VanDerWaalsContact CG2-CG2 3.49Å; V286-E288 HydrophobicContact CG2-CG 4.42Å
287	P	95	Very high	94.5	Very high	18 Å²	18	32.7 Å²	32.7	12%	0.117	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	146.3	164	26.5	-33.7	0	0	0	111.2	H62 Q275 Y276	H62-P287 PolarHBondContact CE1-O 3.49Å; Q275-P287 HydrophobicContact CG-CB 3.95Å; Y276-P287 CarbonylContact O-C 3.54Å; Y276-P287 WeakPolarHBondContact O-CA 3.17Å
288	E	97.9	Very high	94.5	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.009	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	170.7	173.4	-68.3	-176.2	-170.9	0	0	109.1	H206 Y207 Q275 Y276 F278 V286	H206-E288 IonicContact CD2-OE2 2.79Å; H206-E288 IonicContact NE2-OE1 3.04Å; H206-E288 IonicContact NE2-OE2 2.78Å; Y207-E288 HydrophobicContact CD1-CG 4.28Å; Y207-E288 HydrophobicContact CE1-CG 3.66Å; Q275-E288 WeakPolarHBondContact CA-O 3.46Å; Q275-E288 WeakPolarHBondContact CG-O 3.4Å; Y276-E288 HydrophobicContact CD2-CB 4.1Å; Y276-E288 HydrophobicContact CE1-CB 4.12Å; Y276-E288 HydrophobicContact CE2-CB 3.47Å; Y276-E288 VanDerWaalsContact CE2-CB 3.47Å; Y276-E288 HydrophobicContact CE2-CG 4.19Å; Y276-E288 WeakPolarHBondContact CE2-OE2 3.31Å; Y276-E288 VanDerWaalsContact CZ-CB 3.45Å; Y276-E288 VanDerWaalsContact CZ-OE2 3.29Å; Y276-E288 PolarHBondContact N-O 3.35Å; Y276-E288 PolarHBondContact O-N 3.49Å; Y276-E288 VanDerWaalsContact O-O 3.1Å; Y276-E288 WeakPolarHBondContact OH-CB 3.32Å; Y276-E288 PolarHBondContact OH-OE2 3Å; F278-E288 HydrophobicContact CB-CG 4.1Å; F278-E288 WeakPolarHBondContact CD1-OE1 3.47Å; V286-E288 HydrophobicContact CG2-CG 4.42Å
289	F	98.5	Very high	94.6	Very high	6 Å²	6	34.8 Å²	34.8	3%	0.026	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	143.3	178.1	-56.5	-83.5	0	0	0	112.6	H62 H206 F209 E210 C274 Q275 V291	H62-F289 HydrophobicContact CB-CZ 4.5Å; H62-F289 AromaticContact CD2-CE2 3.58Å; H62-F289 AromaticContact CE1-CE2 3.26Å; H62-F289 WeakPolarHBondContact CE1-CE2 3.46Å; H62-F289 AromaticContact CE1-CZ 3.8Å; H62-F289 AromaticContact CG-CE2 3.65Å; H62-F289 AromaticContact CG-CZ 3.92Å; H62-F289 AromaticContact ND1-CE2 3.47Å; H62-F289 WeakPolarHBondContact ND1-CE2 3.33Å; H62-F289 AromaticContact ND1-CZ 3.6Å; H62-F289 AromaticContact NE2-CE2 3.35Å; H62-F289 VanDerWaalsContact NE2-CE2 3.35Å; H62-F289 WeakPolarHBondContact NE2-CE2 3.38Å; H206-F289 WeakPolarHBondContact O-CB 3.45Å; F209-F289 HydrophobicContact CB-CB 3.63Å; E210-F289 HydrophobicContact CB-CD2 3.91Å; E210-F289 HydrophobicContact CB-CE1 4.07Å; E210-F289 HydrophobicContact CB-CE2 3.38Å; E210-F289 HydrophobicContact CB-CG 4.45Å; E210-F289 HydrophobicContact CB-CZ 3.49Å; E210-F289 VanDerWaalsContact CB-CZ 3.49Å; E210-F289 HydrophobicContact CG-CE1 4.04Å; E210-F289 HydrophobicContact CG-CE2 3.9Å; E210-F289 HydrophobicContact CG-CZ 3.48Å; E210-F289 VanDerWaalsContact CG-CZ 3.48Å; C274-F289 WeakPolarHBondContact O-CA 3.35Å; Q275-F289 HydrophobicContact CB-CD1 3.88Å; Q275-F289 HydrophobicContact CB-CE1 3.69Å; Q275-F289 HydrophobicContact CG-CD1 4.16Å; Q275-F289 HydrophobicContact CG-CE1 3.76Å; Q275-F289 HydrophobicContact CG-CZ 4.31Å; F289-V291 PolarHBondContact O-N 2.9Å
290	L	98.5	Very high	94.7	Very high	12 Å²	12	33.3 Å²	33.3	6%	0.063	18%	0.183	C	C	.	.			trans	-65.5	125.9	-178.9	-162.3	69.8	0	0	0	111	A239 L242 V243 F263 Y269 C274 Y276	A239-L290 HydrophobicContact CB-CD1 3.65Å; A239-L290 HydrophobicContact CB-CD2 4.28Å; A239-L290 HydrophobicContact CB-CG 3.69Å; L242-L290 HydrophobicContact CB-CD1 4.02Å; L242-L290 HydrophobicContact CD1-CD1 3.67Å; V243-L290 HydrophobicContact CG2-CD1 4.39Å; V243-L290 HydrophobicContact CG2-CD2 3.81Å; F263-L290 HydrophobicContact CE1-CD1 4.44Å; F263-L290 HydrophobicContact CZ-CD1 4.29Å; Y269-L290 HydrophobicContact CD1-CD2 4.11Å; Y269-L290 HydrophobicContact CG-CD2 4.35Å; C274-L290 HydrophobicContact CB-CB 3.76Å; C274-L290 PolarHBondContact O-N 2.87Å; Y276-L290 HydrophobicContact CE1-CB 4.47Å; Y276-L290 HydrophobicContact CE1-CD1 4.37Å
291	V	98.7	Very high	95	Very high	5 Å²	5	38.4 Å²	38.4	3%	0.03	21%	0.205	C	C	.	.			trans	-103.1	95.9	177.7	-177.1	0	0	0	0	109.8	H206 F209 A239 F289 F293 F296	H206-V291 VanDerWaalsContact CA-CG2 3.5Å; H206-V291 HydrophobicContact CB-CG2 3.55Å; F209-V291 HydrophobicContact CB-CG2 4.35Å; F209-V291 HydrophobicContact CD1-CB 4.41Å; F209-V291 HydrophobicContact CD1-CG1 4.41Å; F209-V291 HydrophobicContact CD1-CG2 4.2Å; F209-V291 HydrophobicContact CD2-CG1 4.48Å; F209-V291 HydrophobicContact CD2-CG2 3.88Å; F209-V291 HydrophobicContact CE1-CB 4.42Å; F209-V291 HydrophobicContact CE1-CG1 3.96Å; F209-V291 HydrophobicContact CE2-CG1 4.08Å; F209-V291 HydrophobicContact CE2-CG2 4.29Å; F209-V291 HydrophobicContact CG-CG2 3.86Å; F209-V291 HydrophobicContact CZ-CG1 3.8Å; A239-V291 WeakPolarHBondContact CB-O 3.35Å; F289-V291 PolarHBondContact O-N 2.9Å; V291-F293 PolarHBondContact O-N 3.5Å; V291-F296 HydrophobicContact CG1-CB 4.1Å; V291-F296 HydrophobicContact CG1-CD1 4.32Å; V291-F296 HydrophobicContact CG1-CG 4.48Å
292	Y	98.6	Very high	95.4	Very high	91 Å²	91	40.1 Å²	40.1	36%	0.357	21%	0.207	S	C	.	.			trans	-69.3	101.3	172	-177.8	-125.1	0	0	0	109.9	Y240 L271 P294 L295 F296	Y240-Y292 HydrophobicContact CE1-CE2 4.37Å; Y240-Y292 AromaticContact CZ-CE2 3.88Å; Y240-Y292 WeakPolarHBondContact OH-CE2 3.08Å; L271-Y292 HydrophobicContact CD2-CD1 3.96Å; Y292-P294 VanDerWaalsContact C-CD 3.49Å; Y292-P294 HydrophobicContact CD1-CB 4.32Å; Y292-P294 HydrophobicContact CD1-CG 4.5Å; Y292-P294 HydrophobicContact CD2-CG 4.37Å; Y292-P294 HydrophobicContact CE1-CB 3.72Å; Y292-P294 HydrophobicContact CE1-CG 3.92Å; Y292-P294 HydrophobicContact CE2-CB 4.47Å; Y292-P294 HydrophobicContact CE2-CG 3.75Å; Y292-P294 VanDerWaalsContact CZ-CG 3.49Å; Y292-L295 HydrophobicContact CD1-CB 3.87Å; Y292-L295 WeakPolarHBondContact O-CA 3.47Å; Y292-L295 WeakPolarHBondContact O-CB 3.36Å; Y292-L295 PolarHBondContact O-N 2.65Å; Y292-F296 PolarHBondContact O-N 3.37Å; Y292-F296 VanDerWaalsContact O-N 3.14Å
293	F	98.8	Very high	96.3	Very high	5 Å²	5	38.7 Å²	38.7	2%	0.022	18%	0.183	C	C	.	.	H	α-helix	trans	-54.9	-39.2	-169.4	-161.5	-84.5	0	0	0	114.8	V291 L295 F296 E297 L307 K310 L386 F388 F390	V291-F293 PolarHBondContact O-N 3.5Å; F293-L295 VanDerWaalsContact C-N 3.28Å; F293-L295 PolarHBondContact O-N 2.94Å; F293-F296 AromaticContact CD2-CD1 3.9Å; F293-F296 HydrophobicContact CD2-CD1 3.9Å; F293-F296 AromaticContact CE2-CD1 3.74Å; F293-F296 HydrophobicContact CE2-CD1 3.74Å; F293-F296 AromaticContact CE2-CE1 3.94Å; F293-F296 HydrophobicContact CE2-CE1 3.94Å; F293-F296 HydrophobicContact CZ-CD1 4.32Å; F293-F296 HydrophobicContact CZ-CE1 4.44Å; F293-F296 WeakPolarHBondContact O-CB 3.23Å; F293-F296 PolarHBondContact O-N 2.91Å; F293-F296 VanDerWaalsContact O-N 3.16Å; F293-E297 HydrophobicContact CE1-CB 4.44Å; F293-E297 PolarHBondContact O-N 2.66Å; F293-L307 HydrophobicContact CE1-CD1 3.83Å; F293-L307 HydrophobicContact CE1-CD2 3.94Å; F293-L307 HydrophobicContact CZ-CD1 3.78Å; F293-K310 HydrophobicContact CD1-CD 3.57Å; F293-K310 HydrophobicContact CD1-CG 4.04Å; F293-K310 HydrophobicContact CD2-CD 4.41Å; F293-K310 HydrophobicContact CD2-CG 4.3Å; F293-K310 HydrophobicContact CE1-CB 3.91Å; F293-K310 HydrophobicContact CE1-CD 3.69Å; F293-K310 HydrophobicContact CE1-CG 3.72Å; F293-K310 HydrophobicContact CE2-CG 4.01Å; F293-K310 HydrophobicContact CG-CD 3.95Å; F293-K310 HydrophobicContact CG-CG 4.31Å; F293-K310 HydrophobicContact CZ-CB 3.9Å; F293-K310 HydrophobicContact CZ-CD 4.18Å; F293-K310 HydrophobicContact CZ-CG 3.7Å; F293-L386 HydrophobicContact CD2-CD1 4.06Å; F293-L386 HydrophobicContact CD2-CD2 4.06Å; F293-L386 HydrophobicContact CE2-CD1 3.93Å; F293-F388 HydrophobicContact CE2-CB 3.7Å; F293-F388 HydrophobicContact CE2-CD1 4.33Å; F293-F388 HydrophobicContact CE2-CG 4.22Å; F293-F388 HydrophobicContact CZ-CB 3.74Å; F293-F390 HydrophobicContact CE1-CZ 4.36Å; F293-F390 HydrophobicContact CZ-CE2 4.15Å; F293-F390 HydrophobicContact CZ-CZ 4.06Å
294	P	98.8	Very high	97.2	Very high	46 Å²	46	41 Å²	41	30%	0.299	19%	0.193	S	C	.	.	H	α-helix	trans	-61.1	-32.9	174.7	-26.5	37.9	0	0	0	114.1	Y292 H298	Y292-P294 VanDerWaalsContact C-CD 3.49Å; Y292-P294 HydrophobicContact CD1-CB 4.32Å; Y292-P294 HydrophobicContact CD1-CG 4.5Å; Y292-P294 HydrophobicContact CD2-CG 4.37Å; Y292-P294 HydrophobicContact CE1-CB 3.72Å; Y292-P294 HydrophobicContact CE1-CG 3.92Å; Y292-P294 HydrophobicContact CE2-CB 4.47Å; Y292-P294 HydrophobicContact CE2-CG 3.75Å; Y292-P294 VanDerWaalsContact CZ-CG 3.49Å; P294-H298 WeakPolarHBondContact O-CB 3.19Å; P294-H298 PolarHBondContact O-N 3.45Å
295	L	98.8	Very high	97.7	Very high	26 Å²	26	40.8 Å²	40.8	14%	0.136	19%	0.192	C	C	.	.	H	α-helix	trans	-67.6	-47.8	171.4	174.2	67.4	0	0	0	110.6	F209 L271 F272 Y292 F293 E297 H298 M299	F209-L295 HydrophobicContact CE1-CD2 4.23Å; L271-L295 HydrophobicContact CB-CD2 3.73Å; L271-L295 HydrophobicContact CD1-CD2 4.38Å; L271-L295 HydrophobicContact CD2-CD2 4.11Å; L271-L295 HydrophobicContact CG-CD2 4.27Å; F272-L295 HydrophobicContact CE1-CD2 3.87Å; F272-L295 HydrophobicContact CE2-CD2 3.91Å; F272-L295 HydrophobicContact CZ-CD1 4.42Å; F272-L295 HydrophobicContact CZ-CD2 3.52Å; F272-L295 HydrophobicContact CZ-CG 4.26Å; Y292-L295 HydrophobicContact CD1-CB 3.87Å; Y292-L295 WeakPolarHBondContact O-CA 3.47Å; Y292-L295 WeakPolarHBondContact O-CB 3.36Å; Y292-L295 PolarHBondContact O-N 2.65Å; F293-L295 VanDerWaalsContact C-N 3.28Å; F293-L295 PolarHBondContact O-N 2.94Å; L295-E297 VanDerWaalsContact C-N 3.33Å; L295-E297 PolarHBondContact O-N 3.29Å; L295-H298 WeakPolarHBondContact O-CA 3.29Å; L295-H298 WeakPolarHBondContact O-CB 3.44Å; L295-H298 PolarHBondContact O-N 3.14Å; L295-H298 VanDerWaalsContact O-N 3.08Å; L295-M299 HydrophobicContact CD1-CG 4.22Å; L295-M299 HydrophobicContact CD1-SD 4.36Å; L295-M299 HydrophobicContact CD2-SD 4.49Å; L295-M299 HydrophobicContact CG-CG 4.34Å; L295-M299 HydrophobicContact CG-SD 4.03Å; L295-M299 WeakPolarHBondContact O-CG 3.32Å; L295-M299 PolarHBondContact O-N 3.25Å
296	F	98.8	Very high	98.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-55.4	-48.3	176.4	170	-151.6	0	0	0	111.5	Y205 F209 L219 F232 V291 Y292 F293 H298 M299 A300 F388 F390	Y205-F296 HydrophobicContact CD1-CD1 4.23Å; Y205-F296 HydrophobicContact CD1-CD2 4.23Å; Y205-F296 HydrophobicContact CD1-CE1 4.02Å; Y205-F296 HydrophobicContact CD1-CE2 4.06Å; Y205-F296 HydrophobicContact CD1-CG 4.34Å; Y205-F296 AromaticContact CD1-CZ 3.94Å; Y205-F296 HydrophobicContact CD1-CZ 3.94Å; Y205-F296 HydrophobicContact CE1-CB 4.41Å; Y205-F296 AromaticContact CE1-CD1 3.95Å; Y205-F296 HydrophobicContact CE1-CD1 3.95Å; Y205-F296 AromaticContact CE1-CD2 3.24Å; Y205-F296 HydrophobicContact CE1-CD2 3.24Å; Y205-F296 AromaticContact CE1-CE1 3.97Å; Y205-F296 HydrophobicContact CE1-CE1 3.97Å; Y205-F296 AromaticContact CE1-CE2 3.31Å; Y205-F296 HydrophobicContact CE1-CE2 3.31Å; Y205-F296 AromaticContact CE1-CG 3.61Å; Y205-F296 HydrophobicContact CE1-CG 3.61Å; Y205-F296 AromaticContact CE1-CZ 3.67Å; Y205-F296 HydrophobicContact CE1-CZ 3.67Å; Y205-F296 AromaticContact CZ-CD2 3.72Å; Y205-F296 AromaticContact CZ-CE2 3.65Å; F209-F296 HydrophobicContact CZ-CB 4.11Å; L219-F296 HydrophobicContact CD1-CD2 4.47Å; L219-F296 HydrophobicContact CD1-CE2 3.73Å; F232-F296 HydrophobicContact CD1-CZ 4.36Å; F232-F296 AromaticContact CE1-CE2 3.87Å; F232-F296 HydrophobicContact CE1-CE2 3.87Å; F232-F296 AromaticContact CE1-CZ 3.6Å; F232-F296 HydrophobicContact CE1-CZ 3.6Å; F232-F296 HydrophobicContact CZ-CZ 4.35Å; V291-F296 HydrophobicContact CG1-CB 4.1Å; V291-F296 HydrophobicContact CG1-CD1 4.32Å; V291-F296 HydrophobicContact CG1-CG 4.48Å; Y292-F296 PolarHBondContact O-N 3.37Å; Y292-F296 VanDerWaalsContact O-N 3.14Å; F293-F296 AromaticContact CD2-CD1 3.9Å; F293-F296 HydrophobicContact CD2-CD1 3.9Å; F293-F296 AromaticContact CE2-CD1 3.74Å; F293-F296 HydrophobicContact CE2-CD1 3.74Å; F293-F296 AromaticContact CE2-CE1 3.94Å; F293-F296 HydrophobicContact CE2-CE1 3.94Å; F293-F296 HydrophobicContact CZ-CD1 4.32Å; F293-F296 HydrophobicContact CZ-CE1 4.44Å; F293-F296 WeakPolarHBondContact O-CB 3.23Å; F293-F296 PolarHBondContact O-N 2.91Å; F293-F296 VanDerWaalsContact O-N 3.16Å; F296-H298 VanDerWaalsContact C-N 3.31Å; F296-H298 PolarHBondContact O-N 2.86Å; F296-M299 PolarHBondContact O-N 3.36Å; F296-A300 PolarHBondContact O-N 3.17Å; F296-F388 AromaticContact CE1-CD1 3.99Å; F296-F388 HydrophobicContact CE1-CD1 3.99Å; F296-F388 HydrophobicContact CE1-CD2 4.08Å; F296-F388 AromaticContact CE1-CE1 3.95Å; F296-F388 HydrophobicContact CE1-CE1 3.95Å; F296-F388 HydrophobicContact CE1-CE2 4.05Å; F296-F388 HydrophobicContact CE1-CG 4.05Å; F296-F388 AromaticContact CE1-CZ 3.97Å; F296-F388 HydrophobicContact CE1-CZ 3.97Å; F296-F388 HydrophobicContact CZ-CD2 4.14Å; F296-F388 HydrophobicContact CZ-CE1 4.37Å; F296-F388 AromaticContact CZ-CE2 3.81Å; F296-F388 HydrophobicContact CZ-CE2 3.81Å; F296-F388 AromaticContact CZ-CZ 3.92Å; F296-F388 HydrophobicContact CZ-CZ 3.92Å; F296-F390 HydrophobicContact CD1-CE2 4.35Å; F296-F390 HydrophobicContact CD1-CZ 4.48Å; F296-F390 AromaticContact CE1-CE2 3.65Å; F296-F390 HydrophobicContact CE1-CE2 3.65Å; F296-F390 HydrophobicContact CE1-CZ 4.2Å; F296-F390 HydrophobicContact CE2-CE2 4.06Å; F296-F390 HydrophobicContact CE2-CZ 4.35Å; F296-F390 HydrophobicContact CZ-CD2 4.19Å; F296-F390 AromaticContact CZ-CE2 3.46Å; F296-F390 HydrophobicContact CZ-CE2 3.46Å; F296-F390 VanDerWaalsContact CZ-CE2 3.46Å; F296-F390 HydrophobicContact CZ-CZ 4.12Å
297	E	98.8	Very high	98.5	Very high	64 Å²	64	44.5 Å²	44.5	30%	0.299	20%	0.202	S	C	.	.	H	α-helix	trans	-58.7	-42	175	179.5	-178.9	174.9	0	0	112.1	F293 L295 A300 L307 F390	F293-E297 HydrophobicContact CE1-CB 4.44Å; F293-E297 PolarHBondContact O-N 2.66Å; L295-E297 VanDerWaalsContact C-N 3.33Å; L295-E297 PolarHBondContact O-N 3.29Å; E297-A300 PolarHBondContact O-N 3.42Å; E297-L307 HydrophobicContact CG-CB 4.28Å; E297-F390 HydrophobicContact CB-CE1 4.28Å; E297-F390 HydrophobicContact CB-CZ 4.3Å; E297-F390 HydrophobicContact CG-CE1 4.14Å
298	H	98.8	Very high	98.6	Very high	113 Å²	113	46.2 Å²	46.2	52%	0.523	21%	0.212	S	C	.	.	H	α-helix	trans	-63.1	-44.8	176.3	-179.5	84.6	0	0	0	112.2	P294 L295 F296 A300 K301	P294-H298 WeakPolarHBondContact O-CB 3.19Å; P294-H298 PolarHBondContact O-N 3.45Å; L295-H298 WeakPolarHBondContact O-CA 3.29Å; L295-H298 WeakPolarHBondContact O-CB 3.44Å; L295-H298 PolarHBondContact O-N 3.14Å; L295-H298 VanDerWaalsContact O-N 3.08Å; F296-H298 VanDerWaalsContact C-N 3.31Å; F296-H298 PolarHBondContact O-N 2.86Å; H298-A300 VanDerWaalsContact C-N 3.31Å; H298-A300 PolarHBondContact O-N 3.25Å; H298-K301 WeakPolarHBondContact O-CB 3.24Å; H298-K301 PolarHBondContact O-N 3.41Å
299	M	98.8	Very high	98.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-61.4	-39.7	177.1	-67.8	175.4	71.9	0	0	111.7	F209 A215 D216 L219 F272 L295 F296 K301 R302	F209-M299 HydrophobicContact CZ-SD 4.43Å; A215-M299 HydrophobicContact CB-CE 3.85Å; D216-M299 HydrophobicContact CB-CE 3.93Å; L219-M299 HydrophobicContact CD2-CB 3.62Å; F272-M299 HydrophobicContact CE1-CE 4.2Å; F272-M299 HydrophobicContact CE1-SD 3.86Å; F272-M299 HydrophobicContact CZ-CE 4.15Å; F272-M299 HydrophobicContact CZ-SD 3.7Å; L295-M299 HydrophobicContact CD1-CG 4.22Å; L295-M299 HydrophobicContact CD1-SD 4.36Å; L295-M299 HydrophobicContact CD2-SD 4.49Å; L295-M299 HydrophobicContact CG-CG 4.34Å; L295-M299 HydrophobicContact CG-SD 4.03Å; L295-M299 WeakPolarHBondContact O-CG 3.32Å; L295-M299 PolarHBondContact O-N 3.25Å; F296-M299 PolarHBondContact O-N 3.36Å; M299-K301 PolarHBondContact O-N 3.06Å; M299-K301 VanDerWaalsContact O-N 3.15Å; M299-R302 VanDerWaalsContact O-CB 3.32Å; M299-R302 WeakPolarHBondContact O-CB 3.48Å; M299-R302 VanDerWaalsContact O-CG 3.31Å; M299-R302 WeakPolarHBondContact O-CG 3.27Å; M299-R302 PolarHBondContact O-N 2.95Å
300	A	98.8	Very high	98.7	Very high	0 Å²	0	51 Å²	51	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-61.8	-25.7	-178.7	0	0	0	0	0	112.9	L219 F296 E297 H298 R302 Y303 M305 F390	L219-A300 HydrophobicContact CD2-CB 4.19Å; F296-A300 PolarHBondContact O-N 3.17Å; E297-A300 PolarHBondContact O-N 3.42Å; H298-A300 VanDerWaalsContact C-N 3.31Å; H298-A300 PolarHBondContact O-N 3.25Å; A300-R302 PolarHBondContact O-N 2.98Å; A300-Y303 PolarHBondContact O-N 2.91Å; A300-M305 HydrophobicContact CB-CB 3.87Å; A300-M305 HydrophobicContact CB-CG 4.46Å; A300-M305 VanDerWaalsContact O-CB 3.27Å; A300-M305 WeakPolarHBondContact O-CB 3.35Å; A300-M305 WeakPolarHBondContact O-CG 3.47Å; A300-M305 PolarHBondContact O-N 3.09Å; A300-F390 HydrophobicContact CB-CD1 4Å; A300-F390 HydrophobicContact CB-CE1 3.79Å; A300-F390 HydrophobicContact CB-CZ 4.29Å
301	K	98.6	Very high	98.7	Very high	123 Å²	123	52 Å²	52	54%	0.535	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-60.6	-30.2	175.4	-64.2	175.5	-177.3	178.1	0	112.9	H298 M299 Y303 N304	H298-K301 WeakPolarHBondContact O-CB 3.24Å; H298-K301 PolarHBondContact O-N 3.41Å; M299-K301 PolarHBondContact O-N 3.06Å; M299-K301 VanDerWaalsContact O-N 3.15Å; K301-Y303 PolarHBondContact O-N 3.05Å; K301-Y303 VanDerWaalsContact O-N 3.15Å; K301-N304 PolarHBondContact O-N 3.42Å
302	R	98.2	Very high	98.7	Very high	119 Å²	119	55 Å²	55	45%	0.449	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-58	-27.6	175.8	-58.8	176.4	-159.9	-178.4	-2.2	112.1	E212 D216 M299 A300	E212-R302 IonicContact OE1-CZ 2.87Å; E212-R302 IonicContact OE1-NH1 3.49Å; E212-R302 IonicContact OE1-NH2 2.84Å; E212-R302 PolarHBondContact OE1-NH2 3.38Å; D216-R302 VanDerWaalsContact CG-NH1 3.34Å; D216-R302 IonicContact OD1-CZ 3Å; D216-R302 IonicContact OD1-NE 3.83Å; D216-R302 IonicContact OD1-NH1 3.08Å; D216-R302 PolarHBondContact OD1-NH1 2.89Å; M299-R302 VanDerWaalsContact O-CB 3.32Å; M299-R302 WeakPolarHBondContact O-CB 3.48Å; M299-R302 VanDerWaalsContact O-CG 3.31Å; M299-R302 WeakPolarHBondContact O-CG 3.27Å; M299-R302 PolarHBondContact O-N 2.95Å; A300-R302 PolarHBondContact O-N 2.98Å
303	Y	98.6	Very high	98.7	Very high	34 Å²	34	50.7 Å²	50.7	13%	0.133	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-104.8	22.7	-178.8	-58.7	-75.1	0	0	0	112.6	D216 L219 R220 C223 A300 K301 M305 K392	D216-Y303 PolarHBondContact OD1-OH 2.83Å; D216-Y303 PolarHBondContact OD2-OH 2.8Å; L219-Y303 HydrophobicContact CB-CD2 4.46Å; L219-Y303 HydrophobicContact CB-CE2 4.2Å; L219-Y303 HydrophobicContact CD2-CD2 4.13Å; L219-Y303 HydrophobicContact CD2-CE2 4.26Å; L219-Y303 HydrophobicContact CG-CD2 3.85Å; L219-Y303 HydrophobicContact CG-CE2 4.05Å; R220-Y303 HydrophobicContact CB-CE1 3.66Å; R220-Y303 HydrophobicContact CB-CE2 4.42Å; R220-Y303 WeakPolarHBondContact CB-OH 3.21Å; R220-Y303 HydrophobicContact CG-CE1 3.7Å; C223-Y303 HydrophobicContact CB-CG 4.08Å; A300-Y303 PolarHBondContact O-N 2.91Å; K301-Y303 PolarHBondContact O-N 3.05Å; K301-Y303 VanDerWaalsContact O-N 3.15Å; Y303-M305 PolarHBondContact O-N 3.46Å; Y303-K392 WeakPolarHBondContact O-CD 3.42Å; Y303-K392 WeakPolarHBondContact O-CE 3.41Å; Y303-K392 PolarHBondContact O-NZ 3.37Å
304	N	98.6	Very high	98.5	Very high	90 Å²	90	52.6 Å²	52.6	48%	0.481	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	34.8	-177.2	-64.6	-21.7	0	0	0	113.3	K301 M393	K301-N304 PolarHBondContact O-N 3.42Å; N304-M393 HydrophobicContact CB-CB 4.42Å; N304-M393 WeakPolarHBondContact O-CB 3.16Å; N304-M393 WeakPolarHBondContact O-CG 3.27Å; N304-M393 PolarHBondContact O-N 3.11Å
305	M	98.9	Very high	98.5	Very high	7 Å²	7	54.6 Å²	54.6	3%	0.034	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	135.4	178.3	-55.8	-57.1	-68.9	0	0	110.7	C223 L226 F232 A300 Y303 F390 Q391 K392	C223-M305 HydrophobicContact CB-CG 3.88Å; C223-M305 HydrophobicContact CB-SD 3.91Å; L226-M305 HydrophobicContact CD1-CE 3.57Å; L226-M305 HydrophobicContact CD1-SD 4.12Å; F232-M305 HydrophobicContact CB-CE 3.64Å; A300-M305 HydrophobicContact CB-CB 3.87Å; A300-M305 HydrophobicContact CB-CG 4.46Å; A300-M305 VanDerWaalsContact O-CB 3.27Å; A300-M305 WeakPolarHBondContact O-CB 3.35Å; A300-M305 WeakPolarHBondContact O-CG 3.47Å; A300-M305 PolarHBondContact O-N 3.09Å; Y303-M305 PolarHBondContact O-N 3.46Å; M305-F390 HydrophobicContact CB-CB 4.11Å; M305-F390 HydrophobicContact CB-CD1 4.16Å; M305-F390 HydrophobicContact CB-CG 4.46Å; M305-F390 HydrophobicContact CE-CB 3.71Å; M305-Q391 WeakPolarHBondContact CA-O 3.39Å; M305-K392 HydrophobicContact CE-CB 4.36Å; M305-K392 HydrophobicContact SD-CB 3.89Å; M305-K392 HydrophobicContact SD-CD 3.49Å; M305-K392 WeakPolarHBondContact SD-CD 3.29Å; M305-K392 HydrophobicContact SD-CG 4.31Å
306	R	98.8	Very high	98.5	Very high	127 Å²	127	53.3 Å²	53.3	48%	0.479	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	131.8	172.8	-178.8	-179	64.3	178.6	-3.5	109.9	V308 F390 Q391 M393	R306-V308 PolarHBondContact O-N 3.29Å; R306-F390 CarbonylContact O-C 3.48Å; R306-F390 VanDerWaalsContact O-CA 3.25Å; R306-F390 WeakPolarHBondContact O-CA 3.32Å; R306-Q391 PolarHBondContact N-O 2.96Å; R306-Q391 PolarHBondContact O-N 2.87Å; R306-M393 HydrophobicContact CB-CG 3.92Å; R306-M393 HydrophobicContact CB-SD 3.65Å; R306-M393 HydrophobicContact CG-SD 4.43Å
307	L	98.8	Very high	98.5	Very high	47 Å²	47	54.8 Å²	54.8	25%	0.246	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	129.3	173.6	-175.2	67.7	0	0	0	110.2	F293 E297 L309 K310 F390	F293-L307 HydrophobicContact CE1-CD1 3.83Å; F293-L307 HydrophobicContact CE1-CD2 3.94Å; F293-L307 HydrophobicContact CZ-CD1 3.78Å; E297-L307 HydrophobicContact CG-CB 4.28Å; L307-L309 WeakPolarHBondContact CD1-O 3.34Å; L307-K310 HydrophobicContact CD1-CB 4.32Å; L307-K310 HydrophobicContact CD2-CB 4.27Å; L307-F390 HydrophobicContact CB-CD1 4.09Å; L307-F390 HydrophobicContact CB-CE1 3.84Å; L307-F390 HydrophobicContact CD1-CD1 4.22Å; L307-F390 HydrophobicContact CD1-CD2 4.38Å; L307-F390 HydrophobicContact CD1-CE1 3.81Å; L307-F390 HydrophobicContact CD1-CE2 3.97Å; L307-F390 HydrophobicContact CD1-CG 4.48Å; L307-F390 HydrophobicContact CD1-CZ 3.67Å; L307-F390 HydrophobicContact CG-CE1 4.43Å
308	V	98.6	Very high	98.4	Very high	53 Å²	53	57.4 Å²	57.4	32%	0.321	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	-38.2	176.2	174.5	0	0	0	0	110.9	R306 V389 Q391	R306-V308 PolarHBondContact O-N 3.29Å; V308-V389 WeakPolarHBondContact CA-O 3.28Å; V308-V389 HydrophobicContact CB-CB 4.3Å; V308-V389 HydrophobicContact CB-CG1 3.99Å; V308-V389 WeakPolarHBondContact CB-O 3.25Å; V308-V389 HydrophobicContact CG1-CG1 4.3Å; V308-V389 PolarHBondContact N-O 3.44Å; V308-Q391 HydrophobicContact CG2-CB 3.59Å
309	L	98.6	Very high	98.3	Very high	33 Å²	33	55.7 Å²	55.7	17%	0.173	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	136.7	-178.3	-167.4	72.6	0	0	0	110.2	L307 Q311 F316 V387 F388 V389	L307-L309 WeakPolarHBondContact CD1-O 3.34Å; L309-Q311 HydrophobicContact CD1-CG 3.93Å; L309-Q311 HydrophobicContact CG-CG 4.21Å; L309-F316 HydrophobicContact CD2-CD2 4.09Å; L309-F316 HydrophobicContact CD2-CE2 3.96Å; L309-V387 HydrophobicContact CD2-CG1 4.47Å; L309-F388 CarbonylContact O-C 3.5Å; L309-F388 VanDerWaalsContact O-CA 3.26Å; L309-F388 WeakPolarHBondContact O-CA 3.16Å; L309-V389 HydrophobicContact CB-CB 3.81Å; L309-V389 HydrophobicContact CB-CG2 3.93Å; L309-V389 HydrophobicContact CD2-CG2 4.16Å; L309-V389 PolarHBondContact N-O 3.01Å; L309-V389 VanDerWaalsContact N-O 3.09Å; L309-V389 PolarHBondContact O-N 3.37Å
310	K	98.6	Very high	98.3	Very high	77 Å²	77	56 Å²	56	34%	0.335	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	114.7	162.5	178.5	-150	177.4	-169.2	0	106.8	F293 L307 L386 V387	F293-K310 HydrophobicContact CD1-CD 3.57Å; F293-K310 HydrophobicContact CD1-CG 4.04Å; F293-K310 HydrophobicContact CD2-CD 4.41Å; F293-K310 HydrophobicContact CD2-CG 4.3Å; F293-K310 HydrophobicContact CE1-CB 3.91Å; F293-K310 HydrophobicContact CE1-CD 3.69Å; F293-K310 HydrophobicContact CE1-CG 3.72Å; F293-K310 HydrophobicContact CE2-CG 4.01Å; F293-K310 HydrophobicContact CG-CD 3.95Å; F293-K310 HydrophobicContact CG-CG 4.31Å; F293-K310 HydrophobicContact CZ-CB 3.9Å; F293-K310 HydrophobicContact CZ-CD 4.18Å; F293-K310 HydrophobicContact CZ-CG 3.7Å; L307-K310 HydrophobicContact CD1-CB 4.32Å; L307-K310 HydrophobicContact CD2-CB 4.27Å; K310-L386 HydrophobicContact CG-CD2 4.32Å; K310-V387 WeakPolarHBondContact CA-O 3.27Å
311	Q	98.5	Very high	98.2	Very high	32 Å²	32	57.4 Å²	57.4	15%	0.15	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	141.4	-179.2	-76.6	179.2	-37.7	0	0	110	L309 E315 F316 E319 L386 V387	L309-Q311 HydrophobicContact CD1-CG 3.93Å; L309-Q311 HydrophobicContact CG-CG 4.21Å; Q311-E315 WeakPolarHBondContact CA-OE2 3.4Å; Q311-E315 HydrophobicContact CB-CB 4.32Å; Q311-F316 HydrophobicContact CB-CB 4.21Å; Q311-E319 PolarHBondContact NE2-OE2 3.46Å; Q311-L386 CarbonylContact O-C 3.53Å; Q311-L386 VanDerWaalsContact O-CA 3.26Å; Q311-L386 WeakPolarHBondContact O-CA 3.35Å; Q311-L386 VanDerWaalsContact O-CB 3.3Å; Q311-L386 WeakPolarHBondContact O-CB 3.38Å; Q311-V387 PolarHBondContact N-O 2.77Å; Q311-V387 PolarHBondContact O-N 3.05Å
312	R	98.4	Very high	98.1	Very high	67 Å²	67	59.6 Å²	59.6	25%	0.253	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	155.6	168.3	-68.7	177.3	168.3	-154.6	-8.5	109.8	D238 E241 S314 E315 F316	D238-R312 IonicContact OD2-CZ 3.83Å; D238-R312 VanDerWaalsContact OD2-CZ 3.25Å; D238-R312 IonicContact OD2-NE 3.96Å; D238-R312 PolarHBondContact OD2-NE 3.42Å; D238-R312 IonicContact OD2-NH2 3.55Å; D238-R312 PolarHBondContact OD2-NH2 3.05Å; E241-R312 IonicContact OE2-CZ 2.66Å; E241-R312 IonicContact OE2-NH1 2.84Å; E241-R312 PolarHBondContact OE2-NH1 3.27Å; E241-R312 IonicContact OE2-NH2 2.66Å; E241-R312 PolarHBondContact OE2-NH2 3.3Å; R312-S314 PolarHBondContact O-N 3.04Å; R312-E315 HydrophobicContact CB-CG 4.19Å; R312-E315 PolarHBondContact N-OE2 2.6Å; R312-E315 PolarHBondContact O-N 2.65Å; R312-E315 VanDerWaalsContact O-N 3.16Å; R312-F316 WeakPolarHBondContact O-CB 3.44Å; R312-F316 PolarHBondContact O-N 2.9Å
313	F	98.4	Very high	98.1	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.009	27%	0.273	C	S	.	.	H	α-helix	trans	-56.4	-37.2	178.2	-86.9	24	0	0	0	112.6	F92 L96 F203 T235 F317 T382 Y385 V387	F92-F313 HydrophobicContact CE1-CD2 4.39Å; L96-F313 HydrophobicContact CD1-CB 4.07Å; L96-F313 HydrophobicContact CD1-CD1 4.11Å; L96-F313 HydrophobicContact CD1-CD2 3.15Å; L96-F313 HydrophobicContact CD1-CE1 4.33Å; L96-F313 HydrophobicContact CD1-CE2 3.43Å; L96-F313 VanDerWaalsContact CD1-CE2 3.43Å; L96-F313 HydrophobicContact CD1-CG 3.52Å; L96-F313 HydrophobicContact CD1-CZ 4.02Å; F203-F313 HydrophobicContact CE1-CE2 4.2Å; F203-F313 AromaticContact CE1-CZ 3.92Å; F203-F313 HydrophobicContact CE1-CZ 3.92Å; F203-F313 HydrophobicContact CZ-CE2 4.01Å; F203-F313 AromaticContact CZ-CZ 3.77Å; F203-F313 HydrophobicContact CZ-CZ 3.77Å; T235-F313 HydrophobicContact CG2-CE1 3.62Å; T235-F313 HydrophobicContact CG2-CZ 3.69Å; F313-F317 WeakPolarHBondContact O-CB 3.21Å; F313-F317 PolarHBondContact O-N 2.93Å; F313-T382 WeakPolarHBondContact CD2-O 3.47Å; F313-T382 WeakPolarHBondContact CD2-OG1 3.48Å; F313-Y385 WeakPolarHBondContact CD1-O 3.47Å; F313-Y385 HydrophobicContact CE2-CG 4.26Å; F313-Y385 HydrophobicContact CZ-CG 4.28Å; F313-Y385 PolarHBondContact N-O 2.84Å; F313-V387 HydrophobicContact CD1-CG2 3.9Å; F313-V387 HydrophobicContact CE1-CG2 3.68Å
314	S	96.3	Very high	98	Very high	44 Å²	44	61.7 Å²	61.7	31%	0.308	29%	0.29	S	S	.	.	H	α-helix	trans	-61.1	-50.8	175.2	52.3	0	0	0	0	112.1	R312 F316 F317 E318	R312-S314 PolarHBondContact O-N 3.04Å; S314-F316 PolarHBondContact O-N 3.33Å; S314-F317 PolarHBondContact O-N 3.4Å; S314-E318 WeakPolarHBondContact O-CB 3.03Å; S314-E318 VanDerWaalsContact O-CG 3.32Å; S314-E318 WeakPolarHBondContact O-CG 3.28Å; S314-E318 PolarHBondContact O-N 2.73Å
315	E	98.1	Very high	97.9	Very high	88 Å²	88	62.2 Å²	62.2	41%	0.411	29%	0.293	S	S	.	.	H	α-helix	trans	-62.5	-45.6	179.9	-63	164.2	175.2	0	0	111.2	Q311 R312 E318 E319	Q311-E315 WeakPolarHBondContact CA-OE2 3.4Å; Q311-E315 HydrophobicContact CB-CB 4.32Å; R312-E315 HydrophobicContact CB-CG 4.19Å; R312-E315 PolarHBondContact N-OE2 2.6Å; R312-E315 PolarHBondContact O-N 2.65Å; R312-E315 VanDerWaalsContact O-N 3.16Å; E315-E318 PolarHBondContact O-N 3.31Å; E315-E319 WeakPolarHBondContact O-CB 3.46Å; E315-E319 PolarHBondContact O-N 3.02Å
316	F	98.5	Very high	97.8	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-62.9	-45.4	177.5	-171.5	-84.3	0	0	0	110.5	L96 V99 L100 L309 Q311 R312 S314 E319 K320 V387	L96-F316 HydrophobicContact CD2-CD1 3.31Å; L96-F316 HydrophobicContact CD2-CE1 3.85Å; L96-F316 HydrophobicContact CD2-CG 4.3Å; V99-F316 HydrophobicContact CB-CE1 4.26Å; V99-F316 HydrophobicContact CG1-CE1 3.88Å; V99-F316 HydrophobicContact CG1-CZ 4Å; L100-F316 HydrophobicContact CB-CZ 4.11Å; L100-F316 HydrophobicContact CD1-CE2 4.46Å; L309-F316 HydrophobicContact CD2-CD2 4.09Å; L309-F316 HydrophobicContact CD2-CE2 3.96Å; Q311-F316 HydrophobicContact CB-CB 4.21Å; R312-F316 WeakPolarHBondContact O-CB 3.44Å; R312-F316 PolarHBondContact O-N 2.9Å; S314-F316 PolarHBondContact O-N 3.33Å; F316-E319 PolarHBondContact O-N 2.97Å; F316-K320 HydrophobicContact CD1-CB 4.45Å; F316-K320 HydrophobicContact CD1-CG 3.69Å; F316-K320 HydrophobicContact CD2-CG 4.37Å; F316-K320 HydrophobicContact CE1-CB 4.34Å; F316-K320 HydrophobicContact CE1-CG 3.49Å; F316-K320 VanDerWaalsContact CE1-CG 3.49Å; F316-K320 HydrophobicContact CE2-CG 4.16Å; F316-K320 HydrophobicContact CG-CG 4.17Å; F316-K320 HydrophobicContact CZ-CD 4.35Å; F316-K320 HydrophobicContact CZ-CG 3.74Å; F316-K320 WeakPolarHBondContact O-CB 3.47Å; F316-K320 WeakPolarHBondContact O-CG 3.47Å; F316-K320 PolarHBondContact O-N 3.21Å; F316-V387 HydrophobicContact CD2-CB 4.21Å; F316-V387 HydrophobicContact CD2-CG1 4.19Å; F316-V387 HydrophobicContact CD2-CG2 4.22Å; F316-V387 HydrophobicContact CE2-CG1 4.1Å; F316-V387 HydrophobicContact CG-CG2 4.21Å
317	F	97.9	Very high	97.7	Very high	31 Å²	31	61.7 Å²	61.7	14%	0.136	29%	0.291	C	S	.	.	H	α-helix	trans	-58.4	-52.6	176.1	168.8	-105.4	0	0	0	112	F92 W95 F313 S314 E319 K320 V321 M330 L336 W379	F92-F317 HydrophobicContact CE2-CB 4.28Å; F92-F317 AromaticContact CE2-CD2 3.46Å; F92-F317 HydrophobicContact CE2-CD2 3.46Å; F92-F317 VanDerWaalsContact CE2-CD2 3.46Å; F92-F317 AromaticContact CE2-CE2 3.9Å; F92-F317 HydrophobicContact CE2-CE2 3.9Å; F92-F317 AromaticContact CE2-CG 3.87Å; F92-F317 HydrophobicContact CE2-CG 3.87Å; F92-F317 HydrophobicContact CZ-CB 3.93Å; F92-F317 HydrophobicContact CZ-CD2 4.01Å; F92-F317 AromaticContact CZ-CG 3.99Å; F92-F317 HydrophobicContact CZ-CG 3.99Å; W95-F317 HydrophobicContact CE3-CD2 4.33Å; W95-F317 AromaticContact CH2-CD2 3.66Å; W95-F317 HydrophobicContact CH2-CD2 3.66Å; W95-F317 HydrophobicContact CH2-CE2 4.25Å; W95-F317 HydrophobicContact CZ3-CB 4.36Å; W95-F317 AromaticContact CZ3-CD2 3.49Å; W95-F317 HydrophobicContact CZ3-CD2 3.49Å; W95-F317 VanDerWaalsContact CZ3-CD2 3.49Å; W95-F317 HydrophobicContact CZ3-CE2 4.29Å; W95-F317 HydrophobicContact CZ3-CG 4.4Å; F313-F317 WeakPolarHBondContact O-CB 3.21Å; F313-F317 PolarHBondContact O-N 2.93Å; S314-F317 PolarHBondContact O-N 3.4Å; F317-E319 VanDerWaalsContact C-N 3.26Å; F317-E319 PolarHBondContact O-N 2.99Å; F317-K320 PolarHBondContact O-N 3.07Å; F317-V321 HydrophobicContact CD2-CB 4.34Å; F317-V321 HydrophobicContact CE2-CB 4.01Å; F317-V321 HydrophobicContact CE2-CG2 3.98Å; F317-V321 HydrophobicContact CZ-CB 4.29Å; F317-V321 HydrophobicContact CZ-CG1 4.35Å; F317-V321 HydrophobicContact CZ-CG2 4.17Å; F317-V321 WeakPolarHBondContact O-CB 3.35Å; F317-V321 VanDerWaalsContact O-CG1 3.27Å; F317-V321 WeakPolarHBondContact O-CG1 3.41Å; F317-V321 PolarHBondContact O-N 3.26Å; F317-M330 HydrophobicContact CE2-SD 3.69Å; F317-M330 HydrophobicContact CZ-SD 4.25Å; F317-L336 HydrophobicContact CE2-CD1 4.32Å; F317-L336 HydrophobicContact CZ-CD1 3.98Å; F317-W379 HydrophobicContact CD1-CH2 4.35Å; F317-W379 HydrophobicContact CE1-CH2 4.28Å
318	E	96.9	Very high	97.6	Very high	118 Å²	118	61.5 Å²	61.5	55%	0.551	29%	0.293	S	S	*	.	H	α-helix	trans	-58.9	-36.2	-179.3	-75.7	176	-163.9	0	0	112.9	S314 E315 K322	S314-E318 WeakPolarHBondContact O-CB 3.03Å; S314-E318 VanDerWaalsContact O-CG 3.32Å; S314-E318 WeakPolarHBondContact O-CG 3.28Å; S314-E318 PolarHBondContact O-N 2.73Å; E315-E318 PolarHBondContact O-N 3.31Å; E318-K322 WeakPolarHBondContact O-CD 3.23Å; E318-K322 WeakPolarHBondContact O-CE 3.47Å; E318-K322 WeakPolarHBondContact O-CG 3.41Å
319	E	97.9	Very high	97.5	Very high	78 Å²	78	60.9 Å²	60.9	36%	0.364	29%	0.288	S	S	.	.	H	α-helix	trans	-70.9	-52.3	173.9	-171	-165.3	129.8	0	0	111.2	Q311 E315 F316 F317 K322	Q311-E319 PolarHBondContact NE2-OE2 3.46Å; E315-E319 WeakPolarHBondContact O-CB 3.46Å; E315-E319 PolarHBondContact O-N 3.02Å; F316-E319 PolarHBondContact O-N 2.97Å; F317-E319 VanDerWaalsContact C-N 3.26Å; F317-E319 PolarHBondContact O-N 2.99Å; E319-K322 WeakPolarHBondContact O-CB 3.33Å; E319-K322 PolarHBondContact O-N 3.02Å
320	K	97.9	Very high	97.5	Very high	5 Å²	5	60.2 Å²	60.2	2%	0.022	28%	0.284	C	S	.	.	H	α-helix	trans	-76.7	-29.9	-167.5	-62.7	-43.9	175.5	-178	0	113.7	W95 V99 E103 F316 F317 K322 K323 H326	W95-K320 HydrophobicContact CH2-CB 4.07Å; V99-K320 HydrophobicContact CG1-CB 3.93Å; V99-K320 HydrophobicContact CG1-CD 4.31Å; V99-K320 HydrophobicContact CG1-CG 3.77Å; E103-K320 WeakPolarHBondContact OE1-CD 3.33Å; E103-K320 IonicContact OE1-NZ 2.75Å; E103-K320 PolarHBondContact OE1-NZ 2.92Å; E103-K320 WeakPolarHBondContact OE2-CE 3.36Å; E103-K320 IonicContact OE2-NZ 3.29Å; E103-K320 PolarHBondContact OE2-NZ 3.1Å; F316-K320 HydrophobicContact CD1-CB 4.45Å; F316-K320 HydrophobicContact CD1-CG 3.69Å; F316-K320 HydrophobicContact CD2-CG 4.37Å; F316-K320 HydrophobicContact CE1-CB 4.34Å; F316-K320 HydrophobicContact CE1-CG 3.49Å; F316-K320 VanDerWaalsContact CE1-CG 3.49Å; F316-K320 HydrophobicContact CE2-CG 4.16Å; F316-K320 HydrophobicContact CG-CG 4.17Å; F316-K320 HydrophobicContact CZ-CD 4.35Å; F316-K320 HydrophobicContact CZ-CG 3.74Å; F316-K320 WeakPolarHBondContact O-CB 3.47Å; F316-K320 WeakPolarHBondContact O-CG 3.47Å; F316-K320 PolarHBondContact O-N 3.21Å; F317-K320 PolarHBondContact O-N 3.07Å; K320-K322 PolarHBondContact O-N 3.46Å; K320-K323 PolarHBondContact O-N 3.13Å; K320-H326 VanDerWaalsContact O-CB 3.28Å; K320-H326 WeakPolarHBondContact O-CB 3.29Å; K320-H326 PolarHBondContact O-ND1 2.87Å
321	V	96.5	Very high	97.3	Very high	30 Å²	30	62.4 Å²	62.4	18%	0.182	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-18.6	179.2	75.6	0	0	0	0	112.8	W95 F317 K323 R327 M330	W95-V321 HydrophobicContact CH2-CB 4.42Å; F317-V321 HydrophobicContact CD2-CB 4.34Å; F317-V321 HydrophobicContact CE2-CB 4.01Å; F317-V321 HydrophobicContact CE2-CG2 3.98Å; F317-V321 HydrophobicContact CZ-CB 4.29Å; F317-V321 HydrophobicContact CZ-CG1 4.35Å; F317-V321 HydrophobicContact CZ-CG2 4.17Å; F317-V321 WeakPolarHBondContact O-CB 3.35Å; F317-V321 VanDerWaalsContact O-CG1 3.27Å; F317-V321 WeakPolarHBondContact O-CG1 3.41Å; F317-V321 PolarHBondContact O-N 3.26Å; V321-K323 PolarHBondContact O-N 2.73Å; V321-R327 HydrophobicContact CG2-CG 4.46Å; V321-M330 HydrophobicContact CG2-CE 4.18Å; V321-M330 HydrophobicContact CG2-SD 3.82Å
322	K	96.9	Very high	97.1	Very high	170 Å²	170	69 Å²	69	74%	0.739	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-20	175.9	-66.1	168.3	-179.2	163.4	0	113.1	E318 E319 K320	E318-K322 WeakPolarHBondContact O-CD 3.23Å; E318-K322 WeakPolarHBondContact O-CE 3.47Å; E318-K322 WeakPolarHBondContact O-CG 3.41Å; E319-K322 WeakPolarHBondContact O-CB 3.33Å; E319-K322 PolarHBondContact O-N 3.02Å; K320-K322 PolarHBondContact O-N 3.46Å
323	K	97.6	Very high	97	Very high	91 Å²	91	67.8 Å²	67.8	40%	0.396	32%	0.323	S	S	.	.	S	Bend	trans	-85	128.6	177.1	-61.5	-178.2	179.9	178.1	0	110.2	E103 K320 V321 N325 H326 R327	E103-K323 IonicContact OE1-NZ 2.69Å; E103-K323 PolarHBondContact OE1-NZ 2.89Å; K320-K323 PolarHBondContact O-N 3.13Å; V321-K323 PolarHBondContact O-N 2.73Å; K323-N325 VanDerWaalsContact C-N 3.34Å; K323-N325 WeakPolarHBondContact CB-OD1 3.31Å; K323-N325 PolarHBondContact O-N 2.79Å; K323-H326 HydrophobicContact CB-CB 4.28Å; K323-H326 PolarHBondContact O-N 3.04Å; K323-R327 PolarHBondContact O-N 3.35Å
324	E	97.1	Very high	96.8	Very high	106 Å²	106	72.8 Å²	72.8	50%	0.495	35%	0.348	S	S	.	.	H	α-helix	trans	-56.8	-44.3	-173	-175.2	54.3	-135.7	0	0	113.5	H326 R327 S328	E324-H326 VanDerWaalsContact C-N 3.33Å; E324-H326 PolarHBondContact O-N 3.06Å; E324-R327 PolarHBondContact O-N 3.19Å; E324-R327 IonicContact OE1-CZ 3.26Å; E324-R327 IonicContact OE1-NE 3.35Å; E324-R327 IonicContact OE1-NH2 3.23Å; E324-R327 PolarHBondContact OE1-NH2 2.64Å; E324-R327 IonicContact OE2-CZ 2.78Å; E324-R327 IonicContact OE2-NE 2.78Å; E324-R327 PolarHBondContact OE2-NE 3.18Å; E324-R327 IonicContact OE2-NH2 3.39Å; E324-R327 PolarHBondContact OE2-NH2 3.47Å; E324-S328 VanDerWaalsContact O-CB 3.28Å; E324-S328 WeakPolarHBondContact O-CB 3.46Å; E324-S328 PolarHBondContact O-N 3.12Å; E324-S328 PolarHBondContact O-OG 3.05Å; E324-S328 PolarHBondContact OE1-OG 3.07Å
325	N	96.3	Very high	96.8	Very high	101 Å²	101	70.7 Å²	70.7	54%	0.54	33%	0.333	S	S	.	.	H	α-helix	trans	-62	-39.9	178.2	63.1	-33.9	0	0	0	112.1	K323 L329	K323-N325 VanDerWaalsContact C-N 3.34Å; K323-N325 WeakPolarHBondContact CB-OD1 3.31Å; K323-N325 PolarHBondContact O-N 2.79Å; N325-L329 WeakPolarHBondContact O-CB 3.16Å; N325-L329 PolarHBondContact O-N 3.05Å
326	H	97.8	Very high	96.7	Very high	16 Å²	16	67.4 Å²	67.4	7%	0.074	32%	0.318	C	S	.	.	H	α-helix	trans	-70.6	-42.1	177.8	-63.2	173.1	0	0	0	111.6	W95 V99 E103 K320 K323 E324 L329 M330	W95-H326 HydrophobicContact CZ2-CB 4.12Å; W95-H326 PolarHBondContact NE1-O 2.6Å; V99-H326 VanDerWaalsContact CG1-CE1 3.5Å; V99-H326 WeakPolarHBondContact CG1-CE1 3.3Å; V99-H326 HydrophobicContact CG2-CB 4.2Å; E103-H326 IonicContact OE1-CE1 2.94Å; E103-H326 PolarHBondContact OE1-CE1 2.92Å; K320-H326 VanDerWaalsContact O-CB 3.28Å; K320-H326 WeakPolarHBondContact O-CB 3.29Å; K320-H326 PolarHBondContact O-ND1 2.87Å; K323-H326 HydrophobicContact CB-CB 4.28Å; K323-H326 PolarHBondContact O-N 3.04Å; E324-H326 VanDerWaalsContact C-N 3.33Å; E324-H326 PolarHBondContact O-N 3.06Å; H326-L329 PolarHBondContact O-N 2.89Å; H326-M330 PolarHBondContact O-N 3.47Å
327	R	96.4	Very high	96.6	Very high	107 Å²	107	67.5 Å²	67.5	40%	0.404	32%	0.318	S	S	.	.	H	α-helix	trans	-61.1	-45.7	174.3	-172.5	173.3	68.4	150.6	1.2	111.8	V321 K323 E324 L329 M330 M331	V321-R327 HydrophobicContact CG2-CG 4.46Å; K323-R327 PolarHBondContact O-N 3.35Å; E324-R327 PolarHBondContact O-N 3.19Å; E324-R327 IonicContact OE1-CZ 3.26Å; E324-R327 IonicContact OE1-NE 3.35Å; E324-R327 IonicContact OE1-NH2 3.23Å; E324-R327 PolarHBondContact OE1-NH2 2.64Å; E324-R327 IonicContact OE2-CZ 2.78Å; E324-R327 IonicContact OE2-NE 2.78Å; E324-R327 PolarHBondContact OE2-NE 3.18Å; E324-R327 IonicContact OE2-NH2 3.39Å; E324-R327 PolarHBondContact OE2-NH2 3.47Å; R327-L329 VanDerWaalsContact C-N 3.3Å; R327-L329 PolarHBondContact O-N 3.04Å; R327-M330 HydrophobicContact CG-CE 4.46Å; R327-M330 VanDerWaalsContact O-CB 3.3Å; R327-M330 WeakPolarHBondContact O-CB 3.43Å; R327-M330 PolarHBondContact O-N 2.89Å; R327-M331 HydrophobicContact CG-CE 4.1Å; R327-M331 WeakPolarHBondContact O-CG 3.4Å; R327-M331 PolarHBondContact O-N 3.34Å; R327-M331 VanDerWaalsContact O-N 3.09Å
328	S	96.6	Very high	96.4	Very high	42 Å²	42	68.2 Å²	68.2	29%	0.294	33%	0.327	S	S	.	.	H	α-helix	trans	-59.2	-40.3	174.3	-77	0	0	0	0	112.1	E324 K332	E324-S328 VanDerWaalsContact O-CB 3.28Å; E324-S328 WeakPolarHBondContact O-CB 3.46Å; E324-S328 PolarHBondContact O-N 3.12Å; E324-S328 PolarHBondContact O-OG 3.05Å; E324-S328 PolarHBondContact OE1-OG 3.07Å; S328-K332 VanDerWaalsContact O-CG 3.3Å; S328-K332 WeakPolarHBondContact O-CG 3.33Å; S328-K332 PolarHBondContact O-N 2.82Å; S328-K332 VanDerWaalsContact O-N 3.09Å
329	L	96.9	Very high	96.2	Very high	41 Å²	41	63.3 Å²	63.3	22%	0.215	30%	0.303	C	S	.	.	H	α-helix	trans	-66.5	-40.9	175.6	-178.6	63.2	0	0	0	112	N325 H326 R327 M331 K332 M333	N325-L329 WeakPolarHBondContact O-CB 3.16Å; N325-L329 PolarHBondContact O-N 3.05Å; H326-L329 PolarHBondContact O-N 2.89Å; R327-L329 VanDerWaalsContact C-N 3.3Å; R327-L329 PolarHBondContact O-N 3.04Å; L329-M331 VanDerWaalsContact C-N 3.32Å; L329-M331 PolarHBondContact O-N 3.12Å; L329-K332 PolarHBondContact O-N 2.89Å; L329-M333 HydrophobicContact CD1-CG 3.97Å; L329-M333 HydrophobicContact CD1-SD 3.72Å; L329-M333 HydrophobicContact CD2-SD 4.2Å; L329-M333 HydrophobicContact CG-CG 4.29Å; L329-M333 HydrophobicContact CG-SD 3.71Å; L329-M333 WeakPolarHBondContact O-CB 3.21Å; L329-M333 VanDerWaalsContact O-CG 3.29Å; L329-M333 WeakPolarHBondContact O-CG 3.25Å; L329-M333 PolarHBondContact O-N 3.41Å
330	M	97.1	Very high	95.9	Very high	19 Å²	19	62.6 Å²	62.6	9%	0.094	31%	0.306	C	S	.	.	H	α-helix	trans	-56.3	-47.7	176.9	-173.1	-169.9	70.6	0	0	111.1	W95 F317 V321 H326 R327 M333 M334 A335 L336	W95-M330 VanDerWaalsContact CD1-N 3.34Å; W95-M330 HydrophobicContact CD2-CB 4.39Å; W95-M330 HydrophobicContact CD2-CG 4.46Å; W95-M330 HydrophobicContact CG-CB 4.28Å; W95-M330 HydrophobicContact CG-CG 4.48Å; W95-M330 HydrophobicContact CZ2-CB 4.45Å; F317-M330 HydrophobicContact CE2-SD 3.69Å; F317-M330 HydrophobicContact CZ-SD 4.25Å; V321-M330 HydrophobicContact CG2-CE 4.18Å; V321-M330 HydrophobicContact CG2-SD 3.82Å; H326-M330 PolarHBondContact O-N 3.47Å; R327-M330 HydrophobicContact CG-CE 4.46Å; R327-M330 VanDerWaalsContact O-CB 3.3Å; R327-M330 WeakPolarHBondContact O-CB 3.43Å; R327-M330 PolarHBondContact O-N 2.89Å; M330-M333 PolarHBondContact O-N 2.87Å; M330-M334 PolarHBondContact O-N 3.2Å; M330-A335 HydrophobicContact CB-CB 4.47Å; M330-A335 HydrophobicContact CG-CB 3.7Å; M330-A335 PolarHBondContact O-N 2.61Å; M330-L336 HydrophobicContact CE-CD1 3.82Å; M330-L336 HydrophobicContact CG-CG 4.4Å; M330-L336 HydrophobicContact SD-CD1 3.52Å; M330-L336 VanDerWaalsContact SD-CD1 3.52Å; M330-L336 HydrophobicContact SD-CG 3.97Å
331	M	94.6	Very high	95.2	Very high	123 Å²	123	64 Å²	64	61%	0.606	32%	0.315	S	S	*	.	H	α-helix	trans	-62.6	-47.6	177.1	-67.3	174.7	175.3	0	0	111.4	R327 L329 M333 M334	R327-M331 HydrophobicContact CG-CE 4.1Å; R327-M331 WeakPolarHBondContact O-CG 3.4Å; R327-M331 PolarHBondContact O-N 3.34Å; R327-M331 VanDerWaalsContact O-N 3.09Å; L329-M331 VanDerWaalsContact C-N 3.32Å; L329-M331 PolarHBondContact O-N 3.12Å; M331-M333 PolarHBondContact O-N 3Å; M331-M334 PolarHBondContact O-N 3.22Å
332	K	95.6	Very high	94.3	Very high	171 Å²	171	69.3 Å²	69.3	74%	0.743	34%	0.338	S	S	*	.	H	α-helix	trans	-61	-29.8	178.1	-73.9	173.3	-176.9	178.8	0	113.5	S328 L329	S328-K332 VanDerWaalsContact O-CG 3.3Å; S328-K332 WeakPolarHBondContact O-CG 3.33Å; S328-K332 PolarHBondContact O-N 2.82Å; S328-K332 VanDerWaalsContact O-N 3.09Å; L329-K332 PolarHBondContact O-N 2.89Å
333	M	95.5	Very high	92.8	Very high	41 Å²	41	69.8 Å²	69.8	20%	0.202	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-4	179.7	-69.2	-178.2	67.5	0	0	113	N91 N94 W95 L329 M330 M331 A335	N91-M333 WeakPolarHBondContact CB-O 3.32Å; N91-M333 PolarHBondContact ND2-O 3.29Å; N94-M333 HydrophobicContact CB-CE 3.65Å; W95-M333 HydrophobicContact CB-CE 4.34Å; W95-M333 HydrophobicContact CB-SD 4.17Å; L329-M333 HydrophobicContact CD1-CG 3.97Å; L329-M333 HydrophobicContact CD1-SD 3.72Å; L329-M333 HydrophobicContact CD2-SD 4.2Å; L329-M333 HydrophobicContact CG-CG 4.29Å; L329-M333 HydrophobicContact CG-SD 3.71Å; L329-M333 WeakPolarHBondContact O-CB 3.21Å; L329-M333 VanDerWaalsContact O-CG 3.29Å; L329-M333 WeakPolarHBondContact O-CG 3.25Å; L329-M333 PolarHBondContact O-N 3.41Å; M330-M333 PolarHBondContact O-N 2.87Å; M331-M333 PolarHBondContact O-N 3Å; M333-A335 HydrophobicContact CB-CB 4.4Å; M333-A335 PolarHBondContact O-N 3.11Å
334	M	94.9	Very high	91.2	Very high	106 Å²	106	69.6 Å²	69.6	52%	0.522	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.3	47.1	-169.8	-59.4	176.8	-73.7	0	0	110.6	F87 Y88 N91 M330 M331 L336	F87-M334 HydrophobicContact CE1-CB 4.46Å; F87-M334 HydrophobicContact CZ-CE 3.95Å; Y88-M334 WeakPolarHBondContact CD1-O 3.21Å; N91-M334 VanDerWaalsContact CB-O 3.26Å; N91-M334 WeakPolarHBondContact CB-O 3.49Å; N91-M334 PolarHBondContact ND2-O 3.33Å; M330-M334 PolarHBondContact O-N 3.2Å; M331-M334 PolarHBondContact O-N 3.22Å; M334-L336 PolarHBondContact O-N 3.46Å
335	A	96.4	Very high	90.1	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	37%	0.369	C	S	.	.			trans	-76.2	-11	-177.6	0	0	0	0	0	113.1	N91 F92 W95 M330 M333	N91-A335 HydrophobicContact CB-CB 4.42Å; F92-A335 WeakPolarHBondContact CB-O 3.49Å; W95-A335 HydrophobicContact CB-CB 3.72Å; W95-A335 HydrophobicContact CG-CB 4.16Å; M330-A335 HydrophobicContact CB-CB 4.47Å; M330-A335 HydrophobicContact CG-CB 3.7Å; M330-A335 PolarHBondContact O-N 2.61Å; M333-A335 HydrophobicContact CB-CB 4.4Å; M333-A335 PolarHBondContact O-N 3.11Å
336	L	96.1	Very high	89.4	Confident	20 Å²	20	69.3 Å²	69.3	11%	0.105	38%	0.379	C	S	.	.	S	Bend	trans	-132.6	147.6	170.1	-63.6	178	0	0	0	108.5	F92 F317 M330 M334 T373 L374 W379	F92-L336 HydrophobicContact CD2-CD2 4.04Å; F92-L336 HydrophobicContact CE2-CD2 4.41Å; F317-L336 HydrophobicContact CE2-CD1 4.32Å; F317-L336 HydrophobicContact CZ-CD1 3.98Å; M330-L336 HydrophobicContact CE-CD1 3.82Å; M330-L336 HydrophobicContact CG-CG 4.4Å; M330-L336 HydrophobicContact SD-CD1 3.52Å; M330-L336 VanDerWaalsContact SD-CD1 3.52Å; M330-L336 HydrophobicContact SD-CG 3.97Å; M334-L336 PolarHBondContact O-N 3.46Å; L336-T373 CarbonylContact C-O 3.51Å; L336-L374 HydrophobicContact CD2-CD2 4.17Å; L336-L374 HydrophobicContact CD2-CG 3.91Å; L336-W379 HydrophobicContact CD2-CH2 4.23Å; L336-W379 HydrophobicContact CD2-CZ2 4.06Å
337	E	95	Very high	89	Confident	1 Å²	1	71.3 Å²	71.3	1%	0.005	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	130.9	172.9	-176.2	169.3	-153.8	0	0	111.2	Y88 Q347 A348 Y355 G372 T373	Y88-E337 HydrophobicContact CD1-CB 3.97Å; Y88-E337 HydrophobicContact CD2-CB 3.63Å; Y88-E337 HydrophobicContact CD2-CG 3.95Å; Y88-E337 HydrophobicContact CE1-CB 4.03Å; Y88-E337 HydrophobicContact CE1-CG 4.38Å; Y88-E337 HydrophobicContact CE2-CB 3.67Å; Y88-E337 HydrophobicContact CE2-CG 3.51Å; Y88-E337 HydrophobicContact CG-CB 3.78Å; E337-Q347 WeakPolarHBondContact OE1-CA 3.46Å; E337-A348 PolarHBondContact OE1-N 3.42Å; E337-Y355 VanDerWaalsContact CD-OH 3.29Å; E337-Y355 PolarHBondContact OE1-OH 3.13Å; E337-Y355 WeakPolarHBondContact OE2-CE1 3.45Å; E337-Y355 VanDerWaalsContact OE2-CZ 3.26Å; E337-Y355 PolarHBondContact OE2-OH 2.6Å; E337-G372 CarbonylContact O-C 3.56Å; E337-G372 WeakPolarHBondContact O-CA 3.46Å; E337-T373 WeakPolarHBondContact CA-O 3.42Å; E337-T373 VanDerWaalsContact CB-O 3.3Å; E337-T373 WeakPolarHBondContact CB-O 3.36Å; E337-T373 PolarHBondContact N-O 3.22Å; E337-T373 PolarHBondContact O-N 2.82Å
338	P	93.6	Very high	88.4	Confident	47 Å²	47	67.8 Å²	67.8	31%	0.305	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	131.4	169.9	-18.5	31.8	0	0	0	112.1	P370 V371	P338-P370 HydrophobicContact CB-CB 4.21Å; P338-V371 CarbonylContact C-O 3.51Å; P338-V371 WeakPolarHBondContact CA-O 3.26Å
339	F	93.5	Very high	87.9	Confident	15 Å²	15	67.1 Å²	67.1	7%	0.066	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	131.2	177.8	-174.1	-88.9	0	0	0	112.8	Y355 A358 E359 P370 V371 T373	F339-Y355 AromaticContact CD2-CD1 3.78Å; F339-Y355 HydrophobicContact CD2-CD1 3.78Å; F339-Y355 HydrophobicContact CD2-CE1 4.48Å; F339-Y355 AromaticContact CD2-CG 3.88Å; F339-Y355 HydrophobicContact CD2-CG 3.88Å; F339-Y355 VanDerWaalsContact CE2-CB 3.43Å; F339-Y355 HydrophobicContact CE2-CD1 4.15Å; F339-Y355 HydrophobicContact CE2-CD2 4.38Å; F339-Y355 AromaticContact CE2-CG 3.75Å; F339-Y355 HydrophobicContact CE2-CG 3.75Å; F339-A358 HydrophobicContact CB-CB 4.29Å; F339-A358 HydrophobicContact CD1-CB 3.49Å; F339-A358 VanDerWaalsContact CD1-CB 3.49Å; F339-A358 HydrophobicContact CD2-CB 4.49Å; F339-A358 HydrophobicContact CE1-CB 3.93Å; F339-A358 HydrophobicContact CG-CB 3.82Å; F339-E359 HydrophobicContact CE1-CB 4.44Å; F339-E359 HydrophobicContact CE1-CG 3.62Å; F339-E359 HydrophobicContact CZ-CG 3.43Å; F339-E359 VanDerWaalsContact CZ-CG 3.43Å; F339-P370 CarbonylContact O-C 3.47Å; F339-P370 WeakPolarHBondContact O-CA 3.28Å; F339-V371 HydrophobicContact CB-CG2 4.26Å; F339-V371 PolarHBondContact N-O 3.27Å; F339-V371 WeakPolarHBondContact O-CG2 3.47Å; F339-V371 PolarHBondContact O-N 3.31Å; F339-T373 HydrophobicContact CB-CG2 3.76Å; F339-T373 HydrophobicContact CG-CG2 4.44Å
340	P	90.9	Very high	87.3	Confident	63 Å²	63	71.8 Å²	71.8	41%	0.409	40%	0.401	S	S	.	.	S	Bend	cis	-57.4	159.5	-14.7	-21	34.4	0	0	0	111.1
341	C	83.6	Confident	87	Confident	33 Å²	33	74.2 Å²	74.2	22%	0.223	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-61.3	150.3	175.3	-156.1	0	0	0	0	109.8	G345 Q347	C341-G345 WeakPolarHBondContact SG-CA 3.42Å; C341-Q347 VanDerWaalsContact N-NE2 3.2Å
342	E	78.1	Confident	86.7	Confident	142 Å²	142	76.2 Å²	76.2	66%	0.664	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-63.5	157.8	174	-63.3	-173.7	165.9	0	0	110.8	G344 G345	E342-G344 PolarHBondContact O-N 3.09Å; E342-G345 PolarHBondContact O-N 3.33Å
343	D	65.1	Low	86.6	Confident	180 Å²	180	75.1 Å²	75.1	96%	0.963	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	114.5	-174.6	-75.4	-35.2	0	0	0	112.1
344	G	65.1	Low	86.6	Confident	88 Å²	88	74 Å²	74	91%	0.907	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.7	-3.3	179.9	0	0	0	0	0	115.7	E342	E342-G344 PolarHBondContact O-N 3.09Å
345	G	72.1	Confident	86.6	Confident	39 Å²	39	69.1 Å²	69.1	40%	0.402	39%	0.388	S	S	.	.			trans	-86.8	153.6	173.4	0	0	0	0	0	113.4	C341 E342	C341-G345 WeakPolarHBondContact SG-CA 3.42Å; E342-G345 PolarHBondContact O-N 3.33Å
346	Q	81.6	Confident	86.5	Confident	161 Å²	161	72.2 Å²	72.2	75%	0.752	41%	0.409	S	S	*	.			trans	-106.4	140.6	173.8	-72.6	-179.5	-25.8	0	0	110.2
347	Q	89.4	Confident	86.5	Confident	59 Å²	59	74.1 Å²	74.1	28%	0.276	42%	0.417	S	S	.	.			trans	-65.1	158.7	168.4	-73.3	75.8	7.2	0	0	110.7	E337 C341 T349 Y355	E337-Q347 WeakPolarHBondContact OE1-CA 3.46Å; C341-Q347 VanDerWaalsContact N-NE2 3.2Å; Q347-T349 PolarHBondContact O-N 2.78Å; Q347-T349 VanDerWaalsContact O-N 3.12Å; Q347-Y355 HydrophobicContact CB-CE2 3.95Å; Q347-Y355 HydrophobicContact CG-CE2 4.13Å
348	A	84.1	Confident	86.4	Confident	33 Å²	33	74.2 Å²	74.2	27%	0.273	42%	0.418	S	S	.	.	S	Bend	trans	-61.3	-20.1	176.9	0	0	0	0	0	113	R85 Y88 E337	R85-A348 WeakPolarHBondContact CD-O 3.5Å; Y88-A348 HydrophobicContact CD2-CB 4.13Å; Y88-A348 HydrophobicContact CE2-CB 4.2Å; E337-A348 PolarHBondContact OE1-N 3.42Å
349	T	85.9	Confident	86.4	Confident	28 Å²	28	76.2 Å²	76.2	17%	0.172	42%	0.423	C	S	.	.			trans	-142.7	140.3	170.5	-178.6	0	0	0	0	110.9	Q347 N351 Q354 Y355	Q347-T349 PolarHBondContact O-N 2.78Å; Q347-T349 VanDerWaalsContact O-N 3.12Å; T349-N351 PolarHBondContact O-N 3.41Å; T349-N351 PolarHBondContact OG1-N 3.42Å; T349-Q354 HydrophobicContact CG2-CB 3.71Å; T349-Q354 HydrophobicContact CG2-CG 3.83Å; T349-Y355 HydrophobicContact CG2-CE2 3.58Å
350	D	85.6	Confident	86.5	Confident	139 Å²	139	81.1 Å²	81.1	74%	0.743	45%	0.446	S	S	*	.	S	Bend	trans	-74.1	-9.3	176.1	-61.9	-34	0	0	0	112.9	K352	D350-K352 PolarHBondContact O-N 3.03Å
351	N	90.9	Very high	86.6	Confident	70 Å²	70	82 Å²	82	37%	0.374	45%	0.445	S	S	.	.			trans	-77.4	103.4	178.7	-176.9	-1.5	0	0	0	111.1	T349 E353 Q354	T349-N351 PolarHBondContact O-N 3.41Å; T349-N351 PolarHBondContact OG1-N 3.42Å; N351-E353 PolarHBondContact O-N 3.25Å; N351-E353 WeakPolarHBondContact OD1-CB 3.32Å; N351-E353 PolarHBondContact OD1-N 2.86Å; N351-Q354 HydrophobicContact CB-CG 3.97Å; N351-Q354 WeakPolarHBondContact O-CB 3.26Å; N351-Q354 PolarHBondContact O-N 3.16Å; N351-Q354 VanDerWaalsContact O-N 3.07Å
352	K	88.4	Confident	87.1	Confident	164 Å²	164	81.6 Å²	81.6	71%	0.713	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-58.7	-29.9	-180	-63.4	-174.2	179.2	-176.5	0	114.3	D350 Q354 Y355	D350-K352 PolarHBondContact O-N 3.03Å; K352-Q354 PolarHBondContact O-N 3.28Å; K352-Q354 VanDerWaalsContact O-N 3.12Å; K352-Y355 PolarHBondContact O-N 2.94Å
353	E	92.4	Very high	87.8	Confident	148 Å²	148	79.8 Å²	79.8	69%	0.692	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-62.3	-22	178.7	-62.1	-177.6	174.2	0	0	112.5	N351 Y355 C356	N351-E353 PolarHBondContact O-N 3.25Å; N351-E353 WeakPolarHBondContact OD1-CB 3.32Å; N351-E353 PolarHBondContact OD1-N 2.86Å; E353-Y355 PolarHBondContact O-N 2.79Å; E353-C356 PolarHBondContact O-SG 2.83Å; E353-C356 VanDerWaalsContact O-SG 3.39Å
354	Q	95.3	Very high	89.2	Confident	18 Å²	18	77.3 Å²	77.3	8%	0.084	42%	0.422	C	S	.	.	G	3₁₀ helix	trans	-69.3	-10.4	176.1	-68	-72.2	-31.3	0	0	113.5	T349 N351 K352 H357 K376 S377	T349-Q354 HydrophobicContact CG2-CB 3.71Å; T349-Q354 HydrophobicContact CG2-CG 3.83Å; N351-Q354 HydrophobicContact CB-CG 3.97Å; N351-Q354 WeakPolarHBondContact O-CB 3.26Å; N351-Q354 PolarHBondContact O-N 3.16Å; N351-Q354 VanDerWaalsContact O-N 3.07Å; K352-Q354 PolarHBondContact O-N 3.28Å; K352-Q354 VanDerWaalsContact O-N 3.12Å; Q354-H357 PolarHBondContact O-CE1 3.2Å; Q354-H357 VanDerWaalsContact O-CE1 3.26Å; Q354-K376 PolarHBondContact O-N 2.84Å; Q354-S377 PolarHBondContact NE2-OG 2.89Å; Q354-S377 PolarHBondContact OE1-OG 3.39Å; Q354-S377 VanDerWaalsContact OE1-OG 3.05Å
355	Y	95.6	Very high	90.6	Very high	3 Å²	3	79.5 Å²	79.5	1%	0.012	42%	0.421	C	S	.	.	G	3₁₀ helix	trans	-124.4	13.3	-177.6	-60.2	-81.4	0	0	0	113.5	E337 F339 Q347 T349 K352 E353 H357 A358 E359 T373	E337-Y355 VanDerWaalsContact CD-OH 3.29Å; E337-Y355 PolarHBondContact OE1-OH 3.13Å; E337-Y355 WeakPolarHBondContact OE2-CE1 3.45Å; E337-Y355 VanDerWaalsContact OE2-CZ 3.26Å; E337-Y355 PolarHBondContact OE2-OH 2.6Å; F339-Y355 AromaticContact CD2-CD1 3.78Å; F339-Y355 HydrophobicContact CD2-CD1 3.78Å; F339-Y355 HydrophobicContact CD2-CE1 4.48Å; F339-Y355 AromaticContact CD2-CG 3.88Å; F339-Y355 HydrophobicContact CD2-CG 3.88Å; F339-Y355 VanDerWaalsContact CE2-CB 3.43Å; F339-Y355 HydrophobicContact CE2-CD1 4.15Å; F339-Y355 HydrophobicContact CE2-CD2 4.38Å; F339-Y355 AromaticContact CE2-CG 3.75Å; F339-Y355 HydrophobicContact CE2-CG 3.75Å; Q347-Y355 HydrophobicContact CB-CE2 3.95Å; Q347-Y355 HydrophobicContact CG-CE2 4.13Å; T349-Y355 HydrophobicContact CG2-CE2 3.58Å; K352-Y355 PolarHBondContact O-N 2.94Å; E353-Y355 PolarHBondContact O-N 2.79Å; Y355-H357 PolarHBondContact O-N 3.01Å; Y355-H357 VanDerWaalsContact O-N 3.15Å; Y355-A358 WeakPolarHBondContact O-CA 3.21Å; Y355-A358 WeakPolarHBondContact O-CB 3.35Å; Y355-A358 PolarHBondContact O-N 2.86Å; Y355-E359 PolarHBondContact O-N 2.9Å; Y355-T373 HydrophobicContact CD1-CG2 3.95Å; Y355-T373 HydrophobicContact CE1-CG2 4.18Å
356	C	94.8	Very high	91.5	Very high	66 Å²	66	81.5 Å²	81.5	45%	0.446	44%	0.441	S	S	.	.	H	α-helix	trans	-56.3	-34.4	-179.3	63.2	0	0	0	0	112.8	E353 E359 E360	E353-C356 PolarHBondContact O-SG 2.83Å; E353-C356 VanDerWaalsContact O-SG 3.39Å; C356-E359 PolarHBondContact O-N 3.05Å; C356-E360 WeakPolarHBondContact O-CB 3.36Å; C356-E360 PolarHBondContact O-N 3.06Å
357	H	94.8	Very high	92	Very high	60 Å²	60	75.7 Å²	75.7	28%	0.278	42%	0.416	S	S	.	.	H	α-helix	trans	-67.8	-34	175.2	62.2	-76.8	0	0	0	112.8	Q354 Y355 H361 T373 L374 W379	Q354-H357 PolarHBondContact O-CE1 3.2Å; Q354-H357 VanDerWaalsContact O-CE1 3.26Å; Y355-H357 PolarHBondContact O-N 3.01Å; Y355-H357 VanDerWaalsContact O-N 3.15Å; H357-H361 WeakPolarHBondContact O-CB 3.32Å; H357-H361 PolarHBondContact O-N 2.86Å; H357-T373 PolarHBondContact NE2-OG1 3.02Å; H357-L374 PolarHBondContact CE1-O 2.97Å; H357-L374 PolarHBondContact NE2-O 3.37Å; H357-W379 AromaticContact NE2-CD1 3.73Å; H357-W379 AromaticContact NE2-NE1 3.77Å
358	A	94.4	Very high	92	Very high	3 Å²	3	83.5 Å²	83.5	3%	0.025	44%	0.443	C	S	.	.	H	α-helix	trans	-74.9	-38.7	176.5	0	0	0	0	0	111.1	F339 Y355 H361 C362 T373	F339-A358 HydrophobicContact CB-CB 4.29Å; F339-A358 HydrophobicContact CD1-CB 3.49Å; F339-A358 VanDerWaalsContact CD1-CB 3.49Å; F339-A358 HydrophobicContact CD2-CB 4.49Å; F339-A358 HydrophobicContact CE1-CB 3.93Å; F339-A358 HydrophobicContact CG-CB 3.82Å; Y355-A358 WeakPolarHBondContact O-CA 3.21Å; Y355-A358 WeakPolarHBondContact O-CB 3.35Å; Y355-A358 PolarHBondContact O-N 2.86Å; A358-H361 PolarHBondContact O-N 3.12Å; A358-C362 WeakPolarHBondContact O-CB 3.5Å; A358-C362 PolarHBondContact O-N 3.39Å; A358-C362 PolarHBondContact O-SG 3.34Å; A358-T373 HydrophobicContact CB-CG2 3.94Å
359	E	93.7	Very high	92.3	Very high	89 Å²	89	85.7 Å²	85.7	42%	0.416	45%	0.454	S	S	.	.	H	α-helix	trans	-60.8	-46.8	172.1	-69.2	-176.9	172.8	0	0	112	F339 Y355 C356 H361 C362 S363	F339-E359 HydrophobicContact CE1-CB 4.44Å; F339-E359 HydrophobicContact CE1-CG 3.62Å; F339-E359 HydrophobicContact CZ-CG 3.43Å; F339-E359 VanDerWaalsContact CZ-CG 3.43Å; Y355-E359 PolarHBondContact O-N 2.9Å; C356-E359 PolarHBondContact O-N 3.05Å; E359-H361 VanDerWaalsContact C-N 3.31Å; E359-H361 PolarHBondContact O-N 2.97Å; E359-C362 PolarHBondContact O-N 3.41Å; E359-S363 PolarHBondContact O-N 3.13Å; E359-S363 VanDerWaalsContact O-N 3.09Å; E359-S363 PolarHBondContact O-OG 2.85Å
360	E	94.5	Very high	92.5	Very high	117 Å²	117	87.9 Å²	87.9	55%	0.547	47%	0.469	S	S	.	.	H	α-helix	trans	-60.6	-42.8	175.9	-166.2	-155.8	130.2	0	0	110.9	C356 S363 R364	C356-E360 WeakPolarHBondContact O-CB 3.36Å; C356-E360 PolarHBondContact O-N 3.06Å; E360-S363 PolarHBondContact O-N 3.28Å; E360-R364 IonicContact OE1-CZ 3.31Å; E360-R364 IonicContact OE1-NE 3.74Å; E360-R364 IonicContact OE1-NH2 3.37Å; E360-R364 PolarHBondContact OE1-NH2 2.96Å
361	H	93.4	Very high	92.8	Very high	81 Å²	81	82.2 Å²	82.2	38%	0.375	44%	0.44	S	S	.	.	H	α-helix	trans	-64.9	-45.2	178.1	-172.2	76.8	0	0	0	112.5	H357 A358 E359 S363 R364 V367	H357-H361 WeakPolarHBondContact O-CB 3.32Å; H357-H361 PolarHBondContact O-N 2.86Å; A358-H361 PolarHBondContact O-N 3.12Å; E359-H361 VanDerWaalsContact C-N 3.31Å; E359-H361 PolarHBondContact O-N 2.97Å; H361-S363 PolarHBondContact O-N 3.41Å; H361-R364 WeakPolarHBondContact O-CB 3.44Å; H361-R364 PolarHBondContact O-N 3.2Å; H361-R364 VanDerWaalsContact O-N 3.11Å; H361-V367 WeakPolarHBondContact O-CG2 3.35Å
362	C	93.1	Very high	93	Very high	26 Å²	26	81.1 Å²	81.1	18%	0.176	44%	0.444	C	S	.	.	H	α-helix	trans	-60.9	-27.8	176.2	-76.7	0	0	0	0	113.2	A358 E359 R364 P369 V371	A358-C362 WeakPolarHBondContact O-CB 3.5Å; A358-C362 PolarHBondContact O-N 3.39Å; A358-C362 PolarHBondContact O-SG 3.34Å; E359-C362 PolarHBondContact O-N 3.41Å; C362-R364 PolarHBondContact O-N 3.26Å; C362-P369 HydrophobicContact CB-CG 4.46Å; C362-V371 VanDerWaalsContact SG-CG2 3.55Å
363	S	92.9	Very high	93.3	Very high	103 Å²	103	73.6 Å²	73.6	72%	0.72	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-8.3	178.6	-57.6	0	0	0	0	113.4	E359 E360 H361	E359-S363 PolarHBondContact O-N 3.13Å; E359-S363 VanDerWaalsContact O-N 3.09Å; E359-S363 PolarHBondContact O-OG 2.85Å; E360-S363 PolarHBondContact O-N 3.28Å; H361-S363 PolarHBondContact O-N 3.41Å
364	R	94.8	Very high	93.5	Very high	129 Å²	129	66.6 Å²	66.6	49%	0.487	38%	0.38	S	S	.	.	S	Bend	trans	-78.1	140.1	-178.4	-63.3	179.6	-178.4	-174.4	0.8	111.6	E360 H361 C362 G366 V367	E360-R364 IonicContact OE1-CZ 3.31Å; E360-R364 IonicContact OE1-NE 3.74Å; E360-R364 IonicContact OE1-NH2 3.37Å; E360-R364 PolarHBondContact OE1-NH2 2.96Å; H361-R364 WeakPolarHBondContact O-CB 3.44Å; H361-R364 PolarHBondContact O-N 3.2Å; H361-R364 VanDerWaalsContact O-N 3.11Å; C362-R364 PolarHBondContact O-N 3.26Å; R364-G366 PolarHBondContact O-N 2.92Å; R364-V367 HydrophobicContact CB-CG2 4.04Å; R364-V367 PolarHBondContact O-N 2.63Å
365	P	94	Very high	93.6	Very high	134 Å²	134	65.7 Å²	65.7	87%	0.87	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	130.4	177.5	-25.1	33.6	0	0	0	112.5
366	G	91.6	Very high	93.7	Very high	80 Å²	80	70.6 Å²	70.6	83%	0.825	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.6	-6	177.5	0	0	0	0	0	115.4	R364	R364-G366 PolarHBondContact O-N 2.92Å
367	V	91.5	Very high	93.8	Very high	39 Å²	39	67.6 Å²	67.6	24%	0.236	38%	0.377	C	S	.	.			trans	-80.8	130.2	171.6	-179.6	0	0	0	0	109.4	H361 R364 V371	H361-V367 WeakPolarHBondContact O-CG2 3.35Å; R364-V367 HydrophobicContact CB-CG2 4.04Å; R364-V367 PolarHBondContact O-N 2.63Å; V367-V371 HydrophobicContact CG1-CG1 3.57Å
368	R	91.4	Very high	93.9	Very high	224 Å²	224	64.7 Å²	64.7	85%	0.845	36%	0.363	S	S	*	.			trans	-113.1	115.4	177	-66.9	-173.5	-176.9	-174	0.7	109.5
369	P	89.1	Confident	94	Very high	78 Å²	78	67.5 Å²	67.5	51%	0.506	37%	0.373	S	S	.	.	S	Bend	trans	-63.7	156	170.5	-22	33.5	0	0	0	112.6	C362	C362-P369 HydrophobicContact CB-CG 4.46Å
370	P	90.6	Very high	94.1	Very high	74 Å²	74	66 Å²	66	48%	0.481	37%	0.368	S	S	.	.	P	Polyproline II helix	cis	-73.9	146.4	-5	31.1	-34.5	0	0	0	112.3	P338 F339	P338-P370 HydrophobicContact CB-CB 4.21Å; F339-P370 CarbonylContact O-C 3.47Å; F339-P370 WeakPolarHBondContact O-CA 3.28Å
371	V	92	Very high	94.3	Very high	21 Å²	21	60.5 Å²	60.5	13%	0.127	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	152.9	170.7	-56.5	0	0	0	0	110.1	P338 F339 C362 V367	P338-V371 CarbonylContact C-O 3.51Å; P338-V371 WeakPolarHBondContact CA-O 3.26Å; F339-V371 HydrophobicContact CB-CG2 4.26Å; F339-V371 PolarHBondContact N-O 3.27Å; F339-V371 WeakPolarHBondContact O-CG2 3.47Å; F339-V371 PolarHBondContact O-N 3.31Å; C362-V371 VanDerWaalsContact SG-CG2 3.55Å; V367-V371 HydrophobicContact CG1-CG1 3.57Å
372	G	93.8	Very high	94.4	Very high	46 Å²	46	56.8 Å²	56.8	47%	0.474	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	130	173.5	0	0	0	0	0	111.4	E337	E337-G372 CarbonylContact O-C 3.56Å; E337-G372 WeakPolarHBondContact O-CA 3.46Å
373	T	95.7	Very high	94.5	Very high	7 Å²	7	56.8 Å²	56.8	4%	0.043	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	174.6	175.6	-172.6	0	0	0	0	112.1	L336 E337 F339 Y355 H357 A358	L336-T373 CarbonylContact C-O 3.51Å; E337-T373 WeakPolarHBondContact CA-O 3.42Å; E337-T373 VanDerWaalsContact CB-O 3.3Å; E337-T373 WeakPolarHBondContact CB-O 3.36Å; E337-T373 PolarHBondContact N-O 3.22Å; E337-T373 PolarHBondContact O-N 2.82Å; F339-T373 HydrophobicContact CB-CG2 3.76Å; F339-T373 HydrophobicContact CG-CG2 4.44Å; Y355-T373 HydrophobicContact CD1-CG2 3.95Å; Y355-T373 HydrophobicContact CE1-CG2 4.18Å; H357-T373 PolarHBondContact NE2-OG1 3.02Å; A358-T373 HydrophobicContact CB-CG2 3.94Å
374	L	96.9	Very high	94.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.292	C	S	.	.			trans	-110.1	164.6	154.4	-60.2	175.5	0	0	0	108.8	F92 L336 H357 E378 W379 T382	F92-L374 HydrophobicContact CB-CD1 4.25Å; F92-L374 HydrophobicContact CD1-CD1 4.33Å; F92-L374 HydrophobicContact CD2-CD1 4.43Å; F92-L374 HydrophobicContact CG-CD1 4.09Å; L336-L374 HydrophobicContact CD2-CD2 4.17Å; L336-L374 HydrophobicContact CD2-CG 3.91Å; H357-L374 PolarHBondContact CE1-O 2.97Å; H357-L374 PolarHBondContact NE2-O 3.37Å; L374-E378 HydrophobicContact CB-CB 3.93Å; L374-E378 HydrophobicContact CD1-CB 4.37Å; L374-W379 HydrophobicContact CB-CD2 4.04Å; L374-W379 HydrophobicContact CB-CG 4.06Å; L374-W379 HydrophobicContact CB-CZ2 4.33Å; L374-W379 HydrophobicContact CD1-CD2 4.05Å; L374-W379 HydrophobicContact CD1-CE3 4.01Å; L374-W379 HydrophobicContact CD1-CH2 4.18Å; L374-W379 HydrophobicContact CD1-CZ2 4.24Å; L374-W379 HydrophobicContact CD1-CZ3 4.06Å; L374-W379 HydrophobicContact CG-CD2 4.35Å; L374-W379 HydrophobicContact CG-CH2 4.47Å; L374-W379 HydrophobicContact CG-CZ2 4.1Å; L374-W379 PolarHBondContact O-NE1 3.47Å; L374-T382 HydrophobicContact CD1-CG2 4.37Å
375	S	96.8	Very high	95	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.272	C	S	.	.			trans	-61.5	151.5	165.3	62	0	0	0	0	110.2	R85 S377 E378 W379	R85-S375 PolarHBondContact NH1-OG 3.09Å; R85-S375 PolarHBondContact NH2-OG 3.45Å; S375-S377 PolarHBondContact O-N 3.28Å; S375-E378 WeakPolarHBondContact CB-OE2 3.29Å; S375-E378 PolarHBondContact N-OE2 3.09Å; S375-E378 VanDerWaalsContact N-OE2 3.15Å; S375-E378 PolarHBondContact O-N 3Å; S375-E378 VanDerWaalsContact O-N 3.09Å; S375-E378 VanDerWaalsContact OG-CG 3.28Å; S375-E378 WeakPolarHBondContact OG-CG 3.2Å; S375-E378 PolarHBondContact OG-N 2.83Å; S375-E378 PolarHBondContact OG-OE2 3.49Å; S375-W379 PolarHBondContact O-N 3.46Å
376	K	97.1	Very high	95.2	Very high	105 Å²	105	40.3 Å²	40.3	46%	0.457	23%	0.231	S	C	.	.	H	α-helix	trans	-51.7	-42	178	-179.3	-177.6	176.1	-173.3	0	111.4	Q354 E378 W379 D380	Q354-K376 PolarHBondContact O-N 2.84Å; K376-E378 PolarHBondContact O-N 3.36Å; K376-W379 WeakPolarHBondContact O-CB 3.23Å; K376-W379 PolarHBondContact O-N 3.16Å; K376-D380 VanDerWaalsContact O-CG 3.31Å; K376-D380 PolarHBondContact O-N 3.46Å
377	S	97	Very high	95.5	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.021	19%	0.192	C	C	.	.	H	α-helix	trans	-67.4	-35.5	-179.1	-70.2	0	0	0	0	113.9	N256 E257 V258 Q354 S375 A381	N256-S377 WeakPolarHBondContact ND2-CA 3.28Å; N256-S377 VanDerWaalsContact ND2-CB 3.34Å; N256-S377 WeakPolarHBondContact ND2-CB 3.46Å; N256-S377 PolarHBondContact ND2-O 3.49Å; N256-S377 PolarHBondContact ND2-OG 3.38Å; E257-S377 WeakPolarHBondContact OE1-CB 3.3Å; E257-S377 PolarHBondContact OE1-OG 3.13Å; E257-S377 WeakPolarHBondContact OE2-CB 3.21Å; E257-S377 PolarHBondContact OE2-OG 3.04Å; V258-S377 VanDerWaalsContact CG2-O 3.24Å; V258-S377 WeakPolarHBondContact CG2-O 3.33Å; Q354-S377 PolarHBondContact NE2-OG 2.89Å; Q354-S377 PolarHBondContact OE1-OG 3.39Å; Q354-S377 VanDerWaalsContact OE1-OG 3.05Å; S375-S377 PolarHBondContact O-N 3.28Å; S377-A381 PolarHBondContact O-N 3.34Å
378	E	97.1	Very high	95.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-69.8	-38.4	171.3	-74.5	171.5	116.2	0	0	112	R85 M89 L374 S375 K376 D380 A381 T382	R85-E378 IonicContact NH1-OE2 2.73Å; M89-E378 HydrophobicContact CB-CB 4.08Å; M89-E378 HydrophobicContact CB-CG 3.88Å; M89-E378 WeakPolarHBondContact CB-OE1 3.45Å; M89-E378 HydrophobicContact CG-CB 4.41Å; M89-E378 PolarHBondContact N-OE1 3.33Å; M89-E378 VanDerWaalsContact N-OE1 3.12Å; M89-E378 HydrophobicContact SD-CB 4.42Å; M89-E378 HydrophobicContact SD-CG 4.42Å; L374-E378 HydrophobicContact CB-CB 3.93Å; L374-E378 HydrophobicContact CD1-CB 4.37Å; S375-E378 WeakPolarHBondContact CB-OE2 3.29Å; S375-E378 PolarHBondContact N-OE2 3.09Å; S375-E378 VanDerWaalsContact N-OE2 3.15Å; S375-E378 PolarHBondContact O-N 3Å; S375-E378 VanDerWaalsContact O-N 3.09Å; S375-E378 VanDerWaalsContact OG-CG 3.28Å; S375-E378 WeakPolarHBondContact OG-CG 3.2Å; S375-E378 PolarHBondContact OG-N 2.83Å; S375-E378 PolarHBondContact OG-OE2 3.49Å; K376-E378 PolarHBondContact O-N 3.36Å; E378-D380 VanDerWaalsContact C-N 3.33Å; E378-A381 PolarHBondContact O-N 2.75Å; E378-T382 PolarHBondContact O-N 3.28Å
379	W	97.2	Very high	96.2	Very high	61 Å²	61	24.1 Å²	24.1	23%	0.231	14%	0.141	C	C	.	.	H	α-helix	trans	-61	-43.4	172.6	-85.2	130.3	0	0	0	111.7	F92 F317 L336 H357 L374 S375 K376 A381 T382 S383	F92-W379 HydrophobicContact CE1-CZ3 4.19Å; F92-W379 AromaticContact CE2-CH2 3.9Å; F92-W379 HydrophobicContact CE2-CH2 3.9Å; F92-W379 HydrophobicContact CE2-CZ3 4.11Å; F92-W379 HydrophobicContact CZ-CH2 4.01Å; F92-W379 AromaticContact CZ-CZ3 3.74Å; F92-W379 HydrophobicContact CZ-CZ3 3.74Å; F317-W379 HydrophobicContact CD1-CH2 4.35Å; F317-W379 HydrophobicContact CE1-CH2 4.28Å; L336-W379 HydrophobicContact CD2-CH2 4.23Å; L336-W379 HydrophobicContact CD2-CZ2 4.06Å; H357-W379 AromaticContact NE2-CD1 3.73Å; H357-W379 AromaticContact NE2-NE1 3.77Å; L374-W379 HydrophobicContact CB-CD2 4.04Å; L374-W379 HydrophobicContact CB-CG 4.06Å; L374-W379 HydrophobicContact CB-CZ2 4.33Å; L374-W379 HydrophobicContact CD1-CD2 4.05Å; L374-W379 HydrophobicContact CD1-CE3 4.01Å; L374-W379 HydrophobicContact CD1-CH2 4.18Å; L374-W379 HydrophobicContact CD1-CZ2 4.24Å; L374-W379 HydrophobicContact CD1-CZ3 4.06Å; L374-W379 HydrophobicContact CG-CD2 4.35Å; L374-W379 HydrophobicContact CG-CH2 4.47Å; L374-W379 HydrophobicContact CG-CZ2 4.1Å; L374-W379 PolarHBondContact O-NE1 3.47Å; S375-W379 PolarHBondContact O-N 3.46Å; K376-W379 WeakPolarHBondContact O-CB 3.23Å; K376-W379 PolarHBondContact O-N 3.16Å; W379-A381 VanDerWaalsContact C-N 3.31Å; W379-A381 PolarHBondContact O-N 2.91Å; W379-T382 HydrophobicContact CE3-CG2 3.6Å; W379-T382 HydrophobicContact CZ3-CG2 3.96Å; W379-T382 PolarHBondContact O-N 3.4Å; W379-S383 WeakPolarHBondContact O-CB 3.5Å; W379-S383 PolarHBondContact O-N 3.22Å; W379-S383 PolarHBondContact O-OG 3.3Å
380	D	96.8	Very high	96.7	Very high	57 Å²	57	20.4 Å²	20.4	31%	0.305	12%	0.117	S	C	.	.	H	α-helix	trans	-61.9	-40.2	175.8	-72.9	-15.1	0	0	0	111	R245 N256 F259 K376 E378 S383	R245-D380 PolarHBondContact NH1-O 3.18Å; N256-D380 WeakPolarHBondContact ND2-CB 3.19Å; F259-D380 HydrophobicContact CE1-CB 3.93Å; K376-D380 VanDerWaalsContact O-CG 3.31Å; K376-D380 PolarHBondContact O-N 3.46Å; E378-D380 VanDerWaalsContact C-N 3.33Å; D380-S383 PolarHBondContact O-OG 2.93Å
381	A	97.1	Very high	97.1	Very high	2 Å²	2	19 Å²	19	2%	0.017	10%	0.104	C	C	.	.	H	α-helix	trans	-67.4	-49.2	177.5	0	0	0	0	0	112.6	M89 V258 F259 L280 S377 E378 W379 S383 I384	M89-A381 HydrophobicContact SD-CB 3.74Å; V258-A381 HydrophobicContact CG2-CB 3.94Å; F259-A381 HydrophobicContact CB-CB 4.21Å; F259-A381 HydrophobicContact CD1-CB 3.49Å; F259-A381 VanDerWaalsContact CD1-CB 3.49Å; F259-A381 HydrophobicContact CE1-CB 4.09Å; F259-A381 HydrophobicContact CG-CB 3.98Å; L280-A381 HydrophobicContact CD1-CB 4.44Å; S377-A381 PolarHBondContact O-N 3.34Å; E378-A381 PolarHBondContact O-N 2.75Å; W379-A381 VanDerWaalsContact C-N 3.31Å; W379-A381 PolarHBondContact O-N 2.91Å; A381-S383 VanDerWaalsContact C-N 3.34Å; A381-S383 PolarHBondContact O-N 3.33Å; A381-I384 PolarHBondContact O-N 3.12Å
382	T	96.3	Very high	97.4	Very high	3 Å²	3	19.3 Å²	19.3	2%	0.018	10%	0.104	C	C	.	.	H	α-helix	trans	-71.4	-29.7	-174.5	-159.4	0	0	0	0	112.6	F92 N93 F313 L374 E378 W379 I384 Y385	F92-T382 HydrophobicContact CD1-CG2 4.24Å; F92-T382 WeakPolarHBondContact CD1-OG1 3.31Å; F92-T382 HydrophobicContact CE1-CG2 3.91Å; F92-T382 WeakPolarHBondContact CE1-OG1 3.39Å; N93-T382 PolarHBondContact OD1-OG1 3.4Å; F313-T382 WeakPolarHBondContact CD2-O 3.47Å; F313-T382 WeakPolarHBondContact CD2-OG1 3.48Å; L374-T382 HydrophobicContact CD1-CG2 4.37Å; E378-T382 PolarHBondContact O-N 3.28Å; W379-T382 HydrophobicContact CE3-CG2 3.6Å; W379-T382 HydrophobicContact CZ3-CG2 3.96Å; W379-T382 PolarHBondContact O-N 3.4Å; T382-I384 PolarHBondContact O-N 3.39Å; T382-I384 VanDerWaalsContact O-N 3.16Å; T382-Y385 PolarHBondContact O-N 3.18Å; T382-Y385 VanDerWaalsContact O-N 3.16Å
383	S	95.9	Very high	97.6	Very high	27 Å²	27	20.4 Å²	20.4	19%	0.189	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-9.2	179.7	55.7	0	0	0	0	114.7	R245 W379 D380 A381 Y385	R245-S383 PolarHBondContact NH2-OG 3.25Å; W379-S383 WeakPolarHBondContact O-CB 3.5Å; W379-S383 PolarHBondContact O-N 3.22Å; W379-S383 PolarHBondContact O-OG 3.3Å; D380-S383 PolarHBondContact O-OG 2.93Å; A381-S383 VanDerWaalsContact C-N 3.34Å; A381-S383 PolarHBondContact O-N 3.33Å; S383-Y385 PolarHBondContact O-N 2.69Å
384	I	97.7	Very high	97.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-24.9	172.2	-68.2	171	0	0	0	111.3	P237 D238 L242 F254 F259 V261 A381 T382	P237-I384 HydrophobicContact CB-CG2 4.03Å; D238-I384 WeakPolarHBondContact CB-O 3.48Å; D238-I384 PolarHBondContact N-O 3.32Å; L242-I384 HydrophobicContact CD2-CG2 3.55Å; L242-I384 HydrophobicContact CG-CG2 4.03Å; F254-I384 HydrophobicContact CE2-CD1 4.32Å; F259-I384 HydrophobicContact CD2-CD1 3.83Å; F259-I384 HydrophobicContact CE2-CD1 3.28Å; F259-I384 HydrophobicContact CZ-CD1 3.69Å; V261-I384 HydrophobicContact CG2-CD1 4.5Å; A381-I384 PolarHBondContact O-N 3.12Å; T382-I384 PolarHBondContact O-N 3.39Å; T382-I384 VanDerWaalsContact O-N 3.16Å
385	Y	98.6	Very high	97.2	Very high	17 Å²	17	28.6 Å²	28.6	7%	0.067	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	154.4	-169.7	-64.9	-87.5	0	0	0	113.4	F203 P237 F278 F313 T382 S383	F203-Y385 AromaticContact CD1-CD1 3.68Å; F203-Y385 HydrophobicContact CD1-CD1 3.68Å; F203-Y385 AromaticContact CD1-CE1 3.49Å; F203-Y385 HydrophobicContact CD1-CE1 3.49Å; F203-Y385 VanDerWaalsContact CD1-CE1 3.49Å; F203-Y385 HydrophobicContact CD1-CG 4.45Å; F203-Y385 AromaticContact CE1-CD1 3.56Å; F203-Y385 HydrophobicContact CE1-CD1 3.56Å; F203-Y385 HydrophobicContact CE1-CD2 4.33Å; F203-Y385 AromaticContact CE1-CE1 3.72Å; F203-Y385 HydrophobicContact CE1-CE1 3.72Å; F203-Y385 HydrophobicContact CE1-CE2 4.45Å; F203-Y385 AromaticContact CE1-CG 3.89Å; F203-Y385 HydrophobicContact CE1-CG 3.89Å; P237-Y385 HydrophobicContact CG-CD1 4Å; P237-Y385 HydrophobicContact CG-CE1 3.6Å; F278-Y385 WeakPolarHBondContact CE1-OH 3.35Å; F278-Y385 VanDerWaalsContact CZ-OH 3.27Å; F278-Y385 WeakPolarHBondContact CZ-OH 3.5Å; F313-Y385 WeakPolarHBondContact CD1-O 3.47Å; F313-Y385 HydrophobicContact CE2-CG 4.26Å; F313-Y385 HydrophobicContact CZ-CG 4.28Å; F313-Y385 PolarHBondContact N-O 2.84Å; T382-Y385 PolarHBondContact O-N 3.18Å; T382-Y385 VanDerWaalsContact O-N 3.16Å; S383-Y385 PolarHBondContact O-N 2.69Å
386	L	98.8	Very high	97.3	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.01	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	157.3	168.8	61.2	73.6	0	0	0	111.4	T235 T236 D238 F293 K310 Q311 F388	T235-L386 VanDerWaalsContact CA-O 3.29Å; T235-L386 WeakPolarHBondContact CA-O 3.43Å; T236-L386 HydrophobicContact CG2-CD1 3.72Å; T236-L386 HydrophobicContact CG2-CG 4.38Å; T236-L386 PolarHBondContact N-O 3.19Å; T236-L386 VanDerWaalsContact N-O 3.17Å; T236-L386 WeakPolarHBondContact O-CG 3.36Å; T236-L386 PolarHBondContact O-N 3Å; D238-L386 HydrophobicContact CB-CB 4.47Å; D238-L386 HydrophobicContact CB-CD2 3.82Å; D238-L386 HydrophobicContact CB-CG 4.24Å; F293-L386 HydrophobicContact CD2-CD1 4.06Å; F293-L386 HydrophobicContact CD2-CD2 4.06Å; F293-L386 HydrophobicContact CE2-CD1 3.93Å; K310-L386 HydrophobicContact CG-CD2 4.32Å; Q311-L386 CarbonylContact O-C 3.53Å; Q311-L386 VanDerWaalsContact O-CA 3.26Å; Q311-L386 WeakPolarHBondContact O-CA 3.35Å; Q311-L386 VanDerWaalsContact O-CB 3.3Å; Q311-L386 WeakPolarHBondContact O-CB 3.38Å; L386-F388 HydrophobicContact CD1-CB 4.49Å; L386-F388 HydrophobicContact CD1-CD1 4.21Å
387	V	98.8	Very high	97.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	141.5	168	173.3	0	0	0	0	108.4	L100 T235 L309 K310 Q311 F313 F316	L100-V387 HydrophobicContact CD1-CG1 3.7Å; L100-V387 HydrophobicContact CD2-CG1 3.68Å; L100-V387 HydrophobicContact CG-CG1 4.23Å; T235-V387 HydrophobicContact CG2-CG2 3.94Å; L309-V387 HydrophobicContact CD2-CG1 4.47Å; K310-V387 WeakPolarHBondContact CA-O 3.27Å; Q311-V387 PolarHBondContact N-O 2.77Å; Q311-V387 PolarHBondContact O-N 3.05Å; F313-V387 HydrophobicContact CD1-CG2 3.9Å; F313-V387 HydrophobicContact CE1-CG2 3.68Å; F316-V387 HydrophobicContact CD2-CB 4.21Å; F316-V387 HydrophobicContact CD2-CG1 4.19Å; F316-V387 HydrophobicContact CD2-CG2 4.22Å; F316-V387 HydrophobicContact CE2-CG1 4.1Å; F316-V387 HydrophobicContact CG-CG2 4.21Å
388	F	98.9	Very high	97.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	152.6	169.8	67.2	-98.1	0	0	0	112.8	F232 I233 G234 T236 F293 F296 L309 L386 F390	F232-F388 HydrophobicContact CD1-CE2 4.01Å; F232-F388 HydrophobicContact CD2-CE2 4.34Å; F232-F388 AromaticContact CE1-CE2 3.75Å; F232-F388 HydrophobicContact CE1-CE2 3.75Å; F232-F388 HydrophobicContact CE1-CZ 4.17Å; F232-F388 HydrophobicContact CE2-CE2 4.08Å; F232-F388 HydrophobicContact CE2-CZ 4.27Å; F232-F388 HydrophobicContact CG-CE2 4.3Å; F232-F388 AromaticContact CZ-CE2 3.77Å; F232-F388 HydrophobicContact CZ-CE2 3.77Å; F232-F388 AromaticContact CZ-CZ 3.84Å; F232-F388 HydrophobicContact CZ-CZ 3.84Å; I233-F388 WeakPolarHBondContact CA-O 3.46Å; G234-F388 VanDerWaalsContact C-CE1 3.46Å; G234-F388 VanDerWaalsContact CA-CZ 3.47Å; G234-F388 PolarHBondContact N-O 3.35Å; G234-F388 VanDerWaalsContact N-O 3.11Å; G234-F388 PolarHBondContact O-N 2.75Å; T236-F388 HydrophobicContact CG2-CD1 4.26Å; T236-F388 HydrophobicContact CG2-CE1 4.22Å; F293-F388 HydrophobicContact CE2-CB 3.7Å; F293-F388 HydrophobicContact CE2-CD1 4.33Å; F293-F388 HydrophobicContact CE2-CG 4.22Å; F293-F388 HydrophobicContact CZ-CB 3.74Å; F296-F388 AromaticContact CE1-CD1 3.99Å; F296-F388 HydrophobicContact CE1-CD1 3.99Å; F296-F388 HydrophobicContact CE1-CD2 4.08Å; F296-F388 AromaticContact CE1-CE1 3.95Å; F296-F388 HydrophobicContact CE1-CE1 3.95Å; F296-F388 HydrophobicContact CE1-CE2 4.05Å; F296-F388 HydrophobicContact CE1-CG 4.05Å; F296-F388 AromaticContact CE1-CZ 3.97Å; F296-F388 HydrophobicContact CE1-CZ 3.97Å; F296-F388 HydrophobicContact CZ-CD2 4.14Å; F296-F388 HydrophobicContact CZ-CE1 4.37Å; F296-F388 AromaticContact CZ-CE2 3.81Å; F296-F388 HydrophobicContact CZ-CE2 3.81Å; F296-F388 AromaticContact CZ-CZ 3.92Å; F296-F388 HydrophobicContact CZ-CZ 3.92Å; L309-F388 CarbonylContact O-C 3.5Å; L309-F388 VanDerWaalsContact O-CA 3.26Å; L309-F388 WeakPolarHBondContact O-CA 3.16Å; L386-F388 HydrophobicContact CD1-CB 4.49Å; L386-F388 HydrophobicContact CD1-CD1 4.21Å; F388-F390 HydrophobicContact CB-CE2 4.36Å; F388-F390 AromaticContact CD2-CD2 3.71Å; F388-F390 HydrophobicContact CD2-CD2 3.71Å; F388-F390 AromaticContact CD2-CE2 3.76Å; F388-F390 HydrophobicContact CD2-CE2 3.76Å; F388-F390 HydrophobicContact CE2-CD2 4.27Å; F388-F390 HydrophobicContact CE2-CE2 4.41Å; F388-F390 HydrophobicContact CG-CE2 4.28Å
389	V	98.9	Very high	97.3	Very high	3 Å²	3	29 Å²	29	2%	0.018	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	122.5	172.5	179.7	0	0	0	0	108.2	L100 I104 F231 I233 V308 L309	L100-V389 HydrophobicContact CD1-CG2 3.73Å; I104-V389 HydrophobicContact CD1-CB 4.46Å; I104-V389 HydrophobicContact CD1-CG1 3.6Å; I104-V389 HydrophobicContact CD1-CG2 3.96Å; F231-V389 HydrophobicContact CD1-CG1 3.7Å; F231-V389 HydrophobicContact CE1-CG1 4.33Å; I233-V389 HydrophobicContact CG2-CB 4.4Å; I233-V389 HydrophobicContact CG2-CG1 4.04Å; I233-V389 HydrophobicContact CG2-CG2 4.09Å; V308-V389 WeakPolarHBondContact CA-O 3.28Å; V308-V389 HydrophobicContact CB-CB 4.3Å; V308-V389 HydrophobicContact CB-CG1 3.99Å; V308-V389 WeakPolarHBondContact CB-O 3.25Å; V308-V389 HydrophobicContact CG1-CG1 4.3Å; V308-V389 PolarHBondContact N-O 3.44Å; L309-V389 HydrophobicContact CB-CB 3.81Å; L309-V389 HydrophobicContact CB-CG2 3.93Å; L309-V389 HydrophobicContact CD2-CG2 4.16Å; L309-V389 PolarHBondContact N-O 3.01Å; L309-V389 VanDerWaalsContact N-O 3.09Å; L309-V389 PolarHBondContact O-N 3.37Å
390	F	98.9	Very high	97.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	150.9	164.9	-66	-98	0	0	0	110	F231 F232 F293 F296 E297 A300 M305 R306 L307 F388	F231-F390 CarbonylContact C-O 3.58Å; F231-F390 VanDerWaalsContact CA-O 3.29Å; F231-F390 WeakPolarHBondContact CA-O 3.43Å; F232-F390 HydrophobicContact CB-CB 4.3Å; F232-F390 HydrophobicContact CD1-CD2 4.2Å; F232-F390 PolarHBondContact N-O 2.76Å; F232-F390 PolarHBondContact O-N 3.23Å; F293-F390 HydrophobicContact CE1-CZ 4.36Å; F293-F390 HydrophobicContact CZ-CE2 4.15Å; F293-F390 HydrophobicContact CZ-CZ 4.06Å; F296-F390 HydrophobicContact CD1-CE2 4.35Å; F296-F390 HydrophobicContact CD1-CZ 4.48Å; F296-F390 AromaticContact CE1-CE2 3.65Å; F296-F390 HydrophobicContact CE1-CE2 3.65Å; F296-F390 HydrophobicContact CE1-CZ 4.2Å; F296-F390 HydrophobicContact CE2-CE2 4.06Å; F296-F390 HydrophobicContact CE2-CZ 4.35Å; F296-F390 HydrophobicContact CZ-CD2 4.19Å; F296-F390 AromaticContact CZ-CE2 3.46Å; F296-F390 HydrophobicContact CZ-CE2 3.46Å; F296-F390 VanDerWaalsContact CZ-CE2 3.46Å; F296-F390 HydrophobicContact CZ-CZ 4.12Å; E297-F390 HydrophobicContact CB-CE1 4.28Å; E297-F390 HydrophobicContact CB-CZ 4.3Å; E297-F390 HydrophobicContact CG-CE1 4.14Å; A300-F390 HydrophobicContact CB-CD1 4Å; A300-F390 HydrophobicContact CB-CE1 3.79Å; A300-F390 HydrophobicContact CB-CZ 4.29Å; M305-F390 HydrophobicContact CB-CB 4.11Å; M305-F390 HydrophobicContact CB-CD1 4.16Å; M305-F390 HydrophobicContact CB-CG 4.46Å; M305-F390 HydrophobicContact CE-CB 3.71Å; R306-F390 CarbonylContact O-C 3.48Å; R306-F390 VanDerWaalsContact O-CA 3.25Å; R306-F390 WeakPolarHBondContact O-CA 3.32Å; L307-F390 HydrophobicContact CB-CD1 4.09Å; L307-F390 HydrophobicContact CB-CE1 3.84Å; L307-F390 HydrophobicContact CD1-CD1 4.22Å; L307-F390 HydrophobicContact CD1-CD2 4.38Å; L307-F390 HydrophobicContact CD1-CE1 3.81Å; L307-F390 HydrophobicContact CD1-CE2 3.97Å; L307-F390 HydrophobicContact CD1-CG 4.48Å; L307-F390 HydrophobicContact CD1-CZ 3.67Å; L307-F390 HydrophobicContact CG-CE1 4.43Å; F388-F390 HydrophobicContact CB-CE2 4.36Å; F388-F390 AromaticContact CD2-CD2 3.71Å; F388-F390 HydrophobicContact CD2-CD2 3.71Å; F388-F390 AromaticContact CD2-CE2 3.76Å; F388-F390 HydrophobicContact CD2-CE2 3.76Å; F388-F390 HydrophobicContact CE2-CD2 4.27Å; F388-F390 HydrophobicContact CE2-CE2 4.41Å; F388-F390 HydrophobicContact CG-CE2 4.28Å
391	Q	98.8	Very high	97.3	Very high	45 Å²	45	24.7 Å²	24.7	21%	0.21	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	135.8	173.6	-173.9	177.4	33.2	0	0	110.2	G229 G230 F231 M305 R306 V308 M393	G229-Q391 PolarHBondContact O-NE2 2.84Å; G230-Q391 CarbonylContact O-C 3.58Å; G230-Q391 WeakPolarHBondContact O-CA 3.44Å; F231-Q391 HydrophobicContact CD1-CB 3.99Å; F231-Q391 HydrophobicContact CD1-CG 4.2Å; F231-Q391 HydrophobicContact CE1-CB 3.85Å; F231-Q391 HydrophobicContact CE1-CG 3.82Å; F231-Q391 HydrophobicContact CZ-CG 4.18Å; M305-Q391 WeakPolarHBondContact CA-O 3.39Å; R306-Q391 PolarHBondContact N-O 2.96Å; R306-Q391 PolarHBondContact O-N 2.87Å; V308-Q391 HydrophobicContact CG2-CB 3.59Å; Q391-M393 PolarHBondContact O-N 2.8Å
392	K	98.8	Very high	97.4	Very high	27 Å²	27	26.5 Å²	26.5	12%	0.117	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	121.2	173.7	-173.1	72.2	170.4	-163.2	0	109.6	C223 L226 K227 G229 G230 Y303 M305	C223-K392 PolarHBondContact O-NZ 2.95Å; L226-K392 HydrophobicContact CB-CB 4.06Å; L226-K392 HydrophobicContact CB-CD 4.25Å; L226-K392 HydrophobicContact CB-CG 4.15Å; K227-K392 WeakPolarHBondContact O-CB 3.36Å; G229-K392 WeakPolarHBondContact CA-O 3.14Å; G229-K392 PolarHBondContact N-O 3.46Å; G230-K392 PolarHBondContact O-N 2.83Å; Y303-K392 WeakPolarHBondContact O-CD 3.42Å; Y303-K392 WeakPolarHBondContact O-CE 3.41Å; Y303-K392 PolarHBondContact O-NZ 3.37Å; M305-K392 HydrophobicContact CE-CB 4.36Å; M305-K392 HydrophobicContact SD-CB 3.89Å; M305-K392 HydrophobicContact SD-CD 3.49Å; M305-K392 WeakPolarHBondContact SD-CD 3.29Å; M305-K392 HydrophobicContact SD-CG 4.31Å
393	M	97.8	Very high	97.5	Very high	69 Å²	69	28.4 Å²	28.4	34%	0.34	17%	0.167	S	C	.	.			trans	-80	155.5	173	-55.5	-59.1	-65.7	0	0	110	N304 R306 Q391	N304-M393 HydrophobicContact CB-CB 4.42Å; N304-M393 WeakPolarHBondContact O-CB 3.16Å; N304-M393 WeakPolarHBondContact O-CG 3.27Å; N304-M393 PolarHBondContact O-N 3.11Å; R306-M393 HydrophobicContact CB-CG 3.92Å; R306-M393 HydrophobicContact CB-SD 3.65Å; R306-M393 HydrophobicContact CG-SD 4.43Å; Q391-M393 PolarHBondContact O-N 2.8Å
394	S	87.8	Confident	97.6	Very high	151 Å²	151	28.5 Å²	28.5	100%	1.056	17%	0.165	S	C	*	.			trans	-62.8	0	174.8	54	0	0	0	0	113.1

Retrieved 394 of 394 residues in 191.8 ms (Link to these results)

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