A0A087XVY5_POEFO Loading...

Phospholipase D family member 4

AlphaFold DB , UniProt , Accession A0A087XVY5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 483 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.6	Very low	33.7	Very low	237 Å²	237	164.6 Å²	164.6	100%	1.167	83%	0.828	S	S	*	*				0	125.2	0	-68.2	175.7	169.6	0	0	106.9
2	T	35.1	Very low	33.9	Very low	139 Å²	139	169.7 Å²	169.7	85%	0.853	83%	0.832	S	S	*	*			cis	-169.1	145.1	-0.5	7	0	0	0	0	105.7
3	S	30.8	Very low	34.1	Very low	101 Å²	101	165.9 Å²	165.9	71%	0.706	83%	0.825	S	S	*	*			trans	-53.1	155.4	172	-179.2	0	0	0	0	114.2
4	M	33.5	Very low	34.1	Very low	173 Å²	173	161.9 Å²	161.9	85%	0.852	82%	0.821	S	S	*	*				161.1	132.5	109.6	-92.5	-161.7	155.8	0	0	115.5
5	Y	36.2	Very low	34.9	Very low	217 Å²	217	161.1 Å²	161.1	85%	0.851	82%	0.819	S	S	*	*			trans	-7	139.3	136.2	-93.1	-101.4	0	0	0	119.3
6	R	35.2	Very low	35.2	Very low	239 Å²	239	162.7 Å²	162.7	90%	0.902	82%	0.819	S	S	*	*			trans	-137.7	112.8	146.4	-96	-179.1	173.3	-174.3	-2.2	105.4
7	S	34.5	Very low	35.8	Very low	89 Å²	89	157.5 Å²	157.5	62%	0.622	82%	0.816	S	S	*	*				49.5	126.4	71.7	106.9	0	0	0	0	111.5
8	L	31.8	Very low	36.5	Very low	130 Å²	130	161.9 Å²	161.9	68%	0.681	82%	0.82	S	S	*	*			cis	-165	150	44	-91.7	136.1	0	0	0	107.4
9	H	33.1	Very low	37.4	Very low	181 Å²	181	166.1 Å²	166.1	84%	0.838	83%	0.825	S	S	*	*				-163.3	133.7	82.2	-109.8	8.3	0	0	0	112.3
10	D	32.1	Very low	38.3	Very low	139 Å²	139	163.1 Å²	163.1	74%	0.743	82%	0.816	S	S	*	*			trans	-65.8	141.9	164.1	-68.6	-56.5	0	0	0	111.7
11	N	34.3	Very low	39.5	Very low	166 Å²	166	158.3 Å²	158.3	89%	0.888	80%	0.798	S	S	*	*			trans	-136.3	101.1	148.2	-97.5	-32.6	0	0	0	109.4
12	Y	35.1	Very low	40.6	Very low	225 Å²	225	152.1 Å²	152.1	88%	0.882	78%	0.777	S	S	*	*			trans	17.4	125.9	145.4	-133.9	-104.2	0	0	0	120.1
13	V	37.7	Very low	42.1	Very low	121 Å²	121	150.2 Å²	150.2	73%	0.733	77%	0.765	S	S	*	*			trans	-62.4	142.3	177.9	173.9	0	0	0	0	113.6	N15	V13-N15 HydrophobicContact CG1-CB 4.09Å
14	S	33.9	Very low	43.8	Very low	110 Å²	110	149 Å²	149	77%	0.769	75%	0.754	S	S	*	*			trans	-118	109.2	148.9	-173.8	0	0	0	0	109.3	K16	S14-K16 PolarHBondContact O-N 2.96Å
15	N	46.2	Very low	45.5	Very low	149 Å²	149	145.8 Å²	145.8	80%	0.797	74%	0.739	S	S	*	*			trans	-81.9	98.3	179.6	-162.5	5.3	0	0	0	108.7	V13	V13-N15 HydrophobicContact CG1-CB 4.09Å
16	K	38.8	Very low	47.2	Very low	187 Å²	187	138.4 Å²	138.4	81%	0.813	72%	0.723	S	S	*	*			trans	-118	95.8	164	-90.2	-175.3	177.6	177	0	108.9	S14 R18	S14-K16 PolarHBondContact O-N 2.96Å; K16-R18 PolarHBondContact O-N 3.42Å
17	G	46.3	Very low	49.2	Very low	75 Å²	75	131.1 Å²	131.1	77%	0.773	71%	0.705	S	S	*	*			trans	-55.4	107.3	169.2	0	0	0	0	0	110.6	R19	G17-R19 PolarHBondContact O-N 3.05Å
18	R	48.4	Very low	51.3	Low	237 Å²	237	131.4 Å²	131.4	89%	0.894	70%	0.699	S	S	*	*			trans	-86.9	94.3	172.8	-148.1	175.1	-169.2	176.6	2.2	107	K16 T20	K16-R18 PolarHBondContact O-N 3.42Å; R18-T20 PolarHBondContact O-N 3.43Å
19	R	53.7	Low	53.5	Low	240 Å²	240	130.7 Å²	130.7	91%	0.906	70%	0.695	S	S	*	*			trans	-57.3	103.5	164.4	-87.6	-178.7	172.4	177.1	-2.4	107.5	G17 S21	G17-R19 PolarHBondContact O-N 3.05Å; R19-S21 PolarHBondContact O-N 3.39Å; R19-S21 VanDerWaalsContact O-N 3.08Å
20	T	54.3	Low	55.9	Low	106 Å²	106	123.5 Å²	123.5	65%	0.65	67%	0.67	S	S	*	*			trans	-61	108.8	161.6	31.5	0	0	0	0	107	R18 C22	R18-T20 PolarHBondContact O-N 3.43Å; T20-C22 PolarHBondContact O-N 2.76Å
21	S	63.8	Low	58.3	Low	63 Å²	63	120.7 Å²	120.7	44%	0.441	66%	0.66	S	S	.	*			trans	-56.9	135.6	178.8	179.2	0	0	0	0	109.3	R19 V23 T24 L25	R19-S21 PolarHBondContact O-N 3.39Å; R19-S21 VanDerWaalsContact O-N 3.08Å; S21-V23 PolarHBondContact O-N 3.38Å; S21-V23 PolarHBondContact OG-N 3.45Å; S21-T24 WeakPolarHBondContact O-CB 3.12Å; S21-T24 PolarHBondContact O-N 3.37Å; S21-T24 PolarHBondContact O-OG1 2.61Å; S21-L25 PolarHBondContact O-N 3.4Å
22	C	58.2	Low	60.4	Low	108 Å²	108	117.8 Å²	117.8	73%	0.73	64%	0.644	S	S	*	*	H	α-helix	trans	-50.6	-25.5	174	-77.5	0	0	0	0	112.5	T20 L25 A26	T20-C22 PolarHBondContact O-N 2.76Å; C22-L25 PolarHBondContact O-N 3.27Å; C22-A26 WeakPolarHBondContact O-CB 3.49Å; C22-A26 PolarHBondContact O-N 3.33Å
23	V	65.4	Low	62.8	Low	98 Å²	98	111.1 Å²	111.1	59%	0.594	63%	0.627	S	S	*	*	H	α-helix	trans	-63.5	-41.2	174.9	-176.9	0	0	0	0	111.7	S21 A26 V27	S21-V23 PolarHBondContact O-N 3.38Å; S21-V23 PolarHBondContact OG-N 3.45Å; V23-A26 PolarHBondContact O-N 2.75Å; V23-V27 VanDerWaalsContact O-CG2 3.26Å; V23-V27 WeakPolarHBondContact O-CG2 3.01Å; V23-V27 PolarHBondContact O-N 3.23Å
24	T	68.3	Low	65.1	Low	76 Å²	76	109.4 Å²	109.4	47%	0.466	62%	0.616	S	S	.	*	H	α-helix	trans	-69.6	-37.9	-179.9	-36.7	0	0	0	0	111.3	S21 V27 I28	S21-T24 WeakPolarHBondContact O-CB 3.12Å; S21-T24 PolarHBondContact O-N 3.37Å; S21-T24 PolarHBondContact O-OG1 2.61Å; T24-V27 PolarHBondContact O-N 2.85Å; T24-I28 HydrophobicContact CG2-CD1 4.44Å; T24-I28 WeakPolarHBondContact O-CD1 3.46Å; T24-I28 VanDerWaalsContact O-CG1 3.26Å; T24-I28 WeakPolarHBondContact O-CG1 3.48Å; T24-I28 PolarHBondContact O-N 3.04Å
25	L	68.4	Low	67.4	Low	105 Å²	105	108.9 Å²	108.9	55%	0.55	60%	0.604	S	S	.	*	H	α-helix	trans	-65.9	-41.7	173.3	-104.9	145.1	0	0	0	111.8	S21 C22 I28 L29	S21-L25 PolarHBondContact O-N 3.4Å; C22-L25 PolarHBondContact O-N 3.27Å; L25-I28 PolarHBondContact O-N 3.17Å; L25-L29 WeakPolarHBondContact O-CB 3.25Å; L25-L29 PolarHBondContact O-N 2.99Å
26	A	71.6	Confident	69.2	Low	63 Å²	63	103.5 Å²	103.5	52%	0.521	59%	0.585	S	S	.	*	H	α-helix	trans	-65.1	-39	176.5	0	0	0	0	0	112.5	C22 V23 L29 G30	C22-A26 WeakPolarHBondContact O-CB 3.49Å; C22-A26 PolarHBondContact O-N 3.33Å; V23-A26 PolarHBondContact O-N 2.75Å; A26-L29 PolarHBondContact O-N 3.1Å; A26-G30 PolarHBondContact O-N 2.81Å
27	V	78.3	Confident	71.4	Confident	85 Å²	85	98.5 Å²	98.5	52%	0.515	57%	0.57	S	S	.	*	H	α-helix	trans	-66.2	-44.4	175.6	171	0	0	0	0	111	V23 T24 L29 G30 C31	V23-V27 VanDerWaalsContact O-CG2 3.26Å; V23-V27 WeakPolarHBondContact O-CG2 3.01Å; V23-V27 PolarHBondContact O-N 3.23Å; T24-V27 PolarHBondContact O-N 2.85Å; V27-L29 VanDerWaalsContact C-N 3.34Å; V27-L29 PolarHBondContact O-N 3.15Å; V27-G30 PolarHBondContact O-N 3.41Å; V27-C31 PolarHBondContact O-N 3.04Å; V27-C31 PolarHBondContact O-SG 2.77Å
28	I	77.8	Confident	73	Confident	96 Å²	96	99.7 Å²	99.7	49%	0.492	56%	0.557	S	S	.	*	H	α-helix	trans	-62.3	-44.2	177	-68.7	165.8	0	0	0	110.6	T24 L25 G30 C31 L32	T24-I28 HydrophobicContact CG2-CD1 4.44Å; T24-I28 WeakPolarHBondContact O-CD1 3.46Å; T24-I28 VanDerWaalsContact O-CG1 3.26Å; T24-I28 WeakPolarHBondContact O-CG1 3.48Å; T24-I28 PolarHBondContact O-N 3.04Å; L25-I28 PolarHBondContact O-N 3.17Å; I28-G30 VanDerWaalsContact C-N 3.34Å; I28-G30 PolarHBondContact O-N 3.04Å; I28-C31 PolarHBondContact O-N 2.95Å; I28-L32 HydrophobicContact CG2-CD1 3.96Å; I28-L32 HydrophobicContact CG2-CG 4.48Å; I28-L32 VanDerWaalsContact O-CG 3.32Å; I28-L32 WeakPolarHBondContact O-CG 3.39Å; I28-L32 PolarHBondContact O-N 2.04Å
29	L	78	Confident	74.3	Confident	115 Å²	115	93.4 Å²	93.4	60%	0.602	54%	0.541	S	S	*	.	H	α-helix	trans	-64.2	-40.3	178.2	-146.3	80	0	0	0	111.5	L25 A26 V27 L32 T33	L25-L29 WeakPolarHBondContact O-CB 3.25Å; L25-L29 PolarHBondContact O-N 2.99Å; A26-L29 PolarHBondContact O-N 3.1Å; V27-L29 VanDerWaalsContact C-N 3.34Å; V27-L29 PolarHBondContact O-N 3.15Å; L29-L32 PolarHBondContact O-N 2.82Å; L29-T33 WeakPolarHBondContact O-CG2 3.44Å; L29-T33 PolarHBondContact O-N 3.46Å; L29-T33 PolarHBondContact O-OG1 2.69Å; L29-T33 VanDerWaalsContact O-OG1 3.12Å
30	G	83.6	Confident	75.4	Confident	30 Å²	30	84.1 Å²	84.1	31%	0.309	52%	0.515	S	S	.	.	H	α-helix	trans	-64.3	-39.8	174.6	0	0	0	0	0	113.3	A26 V27 I28 T33 V34	A26-G30 PolarHBondContact O-N 2.81Å; V27-G30 PolarHBondContact O-N 3.41Å; I28-G30 VanDerWaalsContact C-N 3.34Å; I28-G30 PolarHBondContact O-N 3.04Å; G30-T33 WeakPolarHBondContact CA-OG1 3.32Å; G30-T33 PolarHBondContact O-OG1 2.79Å; G30-V34 VanDerWaalsContact O-CG2 3.27Å; G30-V34 WeakPolarHBondContact O-CG2 3.22Å; G30-V34 PolarHBondContact O-N 3.24Å
31	C	81.6	Confident	76.4	Confident	80 Å²	80	83 Å²	83	54%	0.541	50%	0.504	S	S	.	.	H	α-helix	trans	-66.8	-40.1	175	-70.3	0	0	0	0	111.8	V27 I28 V34 L35	V27-C31 PolarHBondContact O-N 3.04Å; V27-C31 PolarHBondContact O-SG 2.77Å; I28-C31 PolarHBondContact O-N 2.95Å; C31-V34 PolarHBondContact O-N 3.38Å; C31-L35 WeakPolarHBondContact O-CB 3.39Å; C31-L35 PolarHBondContact O-N 3.29Å
32	L	79.9	Confident	76.8	Confident	105 Å²	105	83.2 Å²	83.2	55%	0.55	51%	0.51	S	S	.	.	H	α-helix	trans	-68.3	-36.9	178.4	-71.9	171.6	0	0	0	112.4	I28 L29 G36	I28-L32 HydrophobicContact CG2-CD1 3.96Å; I28-L32 HydrophobicContact CG2-CG 4.48Å; I28-L32 VanDerWaalsContact O-CG 3.32Å; I28-L32 WeakPolarHBondContact O-CG 3.39Å; I28-L32 PolarHBondContact O-N 2.04Å; L29-L32 PolarHBondContact O-N 2.82Å; L32-G36 PolarHBondContact O-N 2.93Å
33	T	84.7	Confident	77.4	Confident	84 Å²	84	83.1 Å²	83.1	52%	0.515	51%	0.506	S	S	.	.	H	α-helix	trans	-69.3	-42.3	175.1	50	0	0	0	0	111.8	L29 G30 L35 G36 V37	L29-T33 WeakPolarHBondContact O-CG2 3.44Å; L29-T33 PolarHBondContact O-N 3.46Å; L29-T33 PolarHBondContact O-OG1 2.69Å; L29-T33 VanDerWaalsContact O-OG1 3.12Å; G30-T33 WeakPolarHBondContact CA-OG1 3.32Å; G30-T33 PolarHBondContact O-OG1 2.79Å; T33-L35 VanDerWaalsContact C-N 3.35Å; T33-L35 PolarHBondContact O-N 3.2Å; T33-G36 PolarHBondContact O-N 2.84Å; T33-V37 WeakPolarHBondContact O-CG2 3.41Å; T33-V37 PolarHBondContact O-N 2.94Å
34	V	86.6	Confident	77.5	Confident	85 Å²	85	85.4 Å²	85.4	52%	0.515	51%	0.514	S	S	.	.	H	α-helix	trans	-61.8	-43.5	174.5	171.5	0	0	0	0	111	G30 C31 G36 V37 I38	G30-V34 VanDerWaalsContact O-CG2 3.27Å; G30-V34 WeakPolarHBondContact O-CG2 3.22Å; G30-V34 PolarHBondContact O-N 3.24Å; C31-V34 PolarHBondContact O-N 3.38Å; V34-G36 VanDerWaalsContact C-N 3.33Å; V34-G36 PolarHBondContact O-N 3Å; V34-V37 PolarHBondContact O-N 2.85Å; V34-I38 HydrophobicContact CG1-CD1 3.82Å; V34-I38 HydrophobicContact CG1-CG1 4.45Å; V34-I38 VanDerWaalsContact O-CG1 3.3Å; V34-I38 WeakPolarHBondContact O-CG1 3.45Å; V34-I38 PolarHBondContact O-N 2.96Å
35	L	82.4	Confident	76.9	Confident	99 Å²	99	88.7 Å²	88.7	52%	0.518	52%	0.524	S	S	.	.	H	α-helix	trans	-62.7	-40.7	176.2	-163.3	78.2	0	0	0	111.6	C31 T33 I38 L39	C31-L35 WeakPolarHBondContact O-CB 3.39Å; C31-L35 PolarHBondContact O-N 3.29Å; T33-L35 VanDerWaalsContact C-N 3.35Å; T33-L35 PolarHBondContact O-N 3.2Å; L35-I38 PolarHBondContact O-N 3.22Å; L35-L39 HydrophobicContact CG-CD1 4.28Å; L35-L39 WeakPolarHBondContact O-CB 3.44Å; L35-L39 PolarHBondContact O-N 3.14Å
36	G	83.4	Confident	76	Confident	37 Å²	37	93.9 Å²	93.9	38%	0.381	54%	0.536	S	S	.	.	H	α-helix	trans	-63.3	-39.5	175.3	0	0	0	0	0	113	L32 T33 V34 A40	L32-G36 PolarHBondContact O-N 2.93Å; T33-G36 PolarHBondContact O-N 2.84Å; V34-G36 VanDerWaalsContact C-N 3.33Å; V34-G36 PolarHBondContact O-N 3Å; G36-A40 WeakPolarHBondContact O-CB 3.43Å; G36-A40 PolarHBondContact O-N 2.77Å
37	V	85.1	Confident	74.8	Confident	82 Å²	82	96.6 Å²	96.6	50%	0.497	55%	0.549	S	S	.	.	H	α-helix	trans	-68.6	-42.3	175.7	172.1	0	0	0	0	111.1	T33 V34 L39 A40 I41	T33-V37 WeakPolarHBondContact O-CG2 3.41Å; T33-V37 PolarHBondContact O-N 2.94Å; V34-V37 PolarHBondContact O-N 2.85Å; V37-L39 VanDerWaalsContact C-N 3.35Å; V37-L39 PolarHBondContact O-N 2.94Å; V37-A40 PolarHBondContact O-N 2.78Å; V37-I41 HydrophobicContact CG1-CD1 3.86Å; V37-I41 HydrophobicContact CG1-CG1 4.44Å; V37-I41 VanDerWaalsContact O-CG1 3.3Å; V37-I41 WeakPolarHBondContact O-CG1 3.26Å; V37-I41 PolarHBondContact O-N 3.06Å
38	I	79.6	Confident	73.3	Confident	100 Å²	100	98.6 Å²	98.6	51%	0.513	56%	0.561	S	S	.	*	H	α-helix	trans	-63	-42.7	176.4	-67.9	167.9	0	0	0	110.7	V34 L35 I41 A42	V34-I38 HydrophobicContact CG1-CD1 3.82Å; V34-I38 HydrophobicContact CG1-CG1 4.45Å; V34-I38 VanDerWaalsContact O-CG1 3.3Å; V34-I38 WeakPolarHBondContact O-CG1 3.45Å; V34-I38 PolarHBondContact O-N 2.96Å; L35-I38 PolarHBondContact O-N 3.22Å; I38-I41 PolarHBondContact O-N 3.23Å; I38-A42 WeakPolarHBondContact O-CB 3.35Å; I38-A42 PolarHBondContact O-N 2.77Å
39	L	75.9	Confident	71.6	Confident	104 Å²	104	99.2 Å²	99.2	55%	0.545	57%	0.572	S	S	.	*	H	α-helix	trans	-64.2	-40.4	174.6	-83.7	159.7	0	0	0	111.8	L35 V37 A42 V43	L35-L39 HydrophobicContact CG-CD1 4.28Å; L35-L39 WeakPolarHBondContact O-CB 3.44Å; L35-L39 PolarHBondContact O-N 3.14Å; V37-L39 VanDerWaalsContact C-N 3.35Å; V37-L39 PolarHBondContact O-N 2.94Å; L39-A42 PolarHBondContact O-N 3Å; L39-V43 WeakPolarHBondContact O-CB 2.97Å; L39-V43 WeakPolarHBondContact O-CG2 3.43Å; L39-V43 PolarHBondContact O-N 3.34Å
40	A	75.5	Confident	69.6	Low	45 Å²	45	98.8 Å²	98.8	37%	0.372	58%	0.575	S	S	.	*	H	α-helix	trans	-63.9	-42.7	175.9	0	0	0	0	0	111.7	G36 V37 V43 L44	G36-A40 WeakPolarHBondContact O-CB 3.43Å; G36-A40 PolarHBondContact O-N 2.77Å; V37-A40 PolarHBondContact O-N 2.78Å; A40-V43 PolarHBondContact O-N 2.87Å; A40-L44 WeakPolarHBondContact O-CB 3.43Å; A40-L44 WeakPolarHBondContact O-CD1 3.42Å; A40-L44 WeakPolarHBondContact O-CG 3.12Å; A40-L44 PolarHBondContact O-N 3.39Å
41	I	77.1	Confident	67.4	Low	83 Å²	83	107 Å²	107	43%	0.426	60%	0.603	S	S	.	*	H	α-helix	trans	-64.1	-44.7	175.1	-66.5	167.4	0	0	0	110.3	V37 I38 V43 L44 E45	V37-I41 HydrophobicContact CG1-CD1 3.86Å; V37-I41 HydrophobicContact CG1-CG1 4.44Å; V37-I41 VanDerWaalsContact O-CG1 3.3Å; V37-I41 WeakPolarHBondContact O-CG1 3.26Å; V37-I41 PolarHBondContact O-N 3.06Å; I38-I41 PolarHBondContact O-N 3.23Å; I41-V43 VanDerWaalsContact C-N 3.26Å; I41-V43 PolarHBondContact O-N 3.36Å; I41-L44 PolarHBondContact O-N 3.18Å; I41-E45 HydrophobicContact CG2-CG 4.18Å; I41-E45 WeakPolarHBondContact O-CB 3.46Å; I41-E45 PolarHBondContact O-N 2.99Å
42	A	71.8	Confident	65.2	Low	68 Å²	68	109.4 Å²	109.4	56%	0.562	61%	0.61	S	S	*	*	H	α-helix	trans	-64.6	-28	177.4	0	0	0	0	0	113.6	I38 L39	I38-A42 WeakPolarHBondContact O-CB 3.35Å; I38-A42 PolarHBondContact O-N 2.77Å; L39-A42 PolarHBondContact O-N 3Å
43	V	70.1	Confident	63.3	Low	105 Å²	105	113.1 Å²	113.1	64%	0.636	63%	0.625	S	S	*	*	H	α-helix	trans	-83.3	-33.2	175.8	171.1	0	0	0	0	111.9	L39 A40 I41	L39-V43 WeakPolarHBondContact O-CB 2.97Å; L39-V43 WeakPolarHBondContact O-CG2 3.43Å; L39-V43 PolarHBondContact O-N 3.34Å; A40-V43 PolarHBondContact O-N 2.87Å; I41-V43 VanDerWaalsContact C-N 3.26Å; I41-V43 PolarHBondContact O-N 3.36Å
44	L	68.6	Low	61.4	Low	146 Å²	146	114.3 Å²	114.3	76%	0.764	63%	0.628	S	S	*	*	H	α-helix	trans	-82.9	-36.7	-179.7	-73.3	164.4	0	0	0	112.5	A40 I41 R46	A40-L44 WeakPolarHBondContact O-CB 3.43Å; A40-L44 WeakPolarHBondContact O-CD1 3.42Å; A40-L44 WeakPolarHBondContact O-CG 3.12Å; A40-L44 PolarHBondContact O-N 3.39Å; I41-L44 PolarHBondContact O-N 3.18Å; L44-R46 VanDerWaalsContact C-N 3.25Å; L44-R46 PolarHBondContact O-N 3.36Å; L44-R46 VanDerWaalsContact O-N 3.07Å
45	E	54	Low	59.1	Low	146 Å²	146	116.8 Å²	116.8	68%	0.682	64%	0.643	S	S	*	*			trans	-83.1	68	170.1	-68.8	-172.3	160.9	0	0	110.1	I41 P47	I41-E45 HydrophobicContact CG2-CG 4.18Å; I41-E45 WeakPolarHBondContact O-CB 3.46Å; I41-E45 PolarHBondContact O-N 2.99Å; E45-P47 WeakPolarHBondContact O-CD 3.29Å
46	R	49.9	Very low	57.5	Low	213 Å²	213	114.3 Å²	114.3	80%	0.804	63%	0.63	S	S	*	*	P	Polyproline II helix	trans	-63.7	122.6	159.1	-73.6	-175.7	180	-175.4	-0.6	107.3	L44 T48	L44-R46 VanDerWaalsContact C-N 3.25Å; L44-R46 PolarHBondContact O-N 3.36Å; L44-R46 VanDerWaalsContact O-N 3.07Å; R46-T48 PolarHBondContact O-N 2.91Å
47	P	47.5	Very low	55.7	Low	120 Å²	120	116 Å²	116	78%	0.779	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-55.9	132.1	166.7	-11.6	22.9	0	0	0	107.3	E45	E45-P47 WeakPolarHBondContact O-CD 3.29Å
48	T	46.1	Very low	53.7	Low	128 Å²	128	121 Å²	121	79%	0.785	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-54.2	130.6	169.1	33.5	0	0	0	0	108.1	R46	R46-T48 PolarHBondContact O-N 2.91Å
49	P	41.3	Very low	52	Low	109 Å²	109	121.9 Å²	121.9	71%	0.708	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-57.4	139.1	177.4	22.5	-30.2	0	0	0	108.2	K51	P49-K51 PolarHBondContact O-N 2.81Å
50	P	36.6	Very low	50.2	Low	105 Å²	105	121.8 Å²	121.8	68%	0.682	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-53.4	130.5	172.9	21.7	-30.5	0	0	0	108	N52	P50-N52 PolarHBondContact O-N 2.84Å
51	K	37.2	Very low	48.4	Very low	202 Å²	202	124.4 Å²	124.4	88%	0.878	69%	0.688	S	S	*	*			trans	-63.9	82.7	173.1	-77.4	-177.8	175.4	-179.9	0	108.6	P49	P49-K51 PolarHBondContact O-N 2.81Å
52	N	35.5	Very low	46.6	Very low	131 Å²	131	124.2 Å²	124.2	70%	0.701	71%	0.707	S	S	*	*			trans	-86.8	116.8	165	-82.1	-10.3	0	0	0	107.6	P50 D54	P50-N52 PolarHBondContact O-N 2.84Å; N52-D54 PolarHBondContact O-N 3.39Å
53	H	39.3	Very low	45.1	Very low	184 Å²	184	127.1 Å²	127.1	85%	0.852	71%	0.712	S	S	*	*	S	Bend	trans	-66.6	81.4	161.4	-75.3	-78.6	0	0	0	108.6
54	D	45.2	Very low	43.8	Very low	108 Å²	108	130.4 Å²	130.4	58%	0.578	73%	0.726	S	S	*	*			trans	-162.7	59.9	165.4	-92	-32.3	0	0	0	107.4	N52 L56	N52-D54 PolarHBondContact O-N 3.39Å; D54-L56 PolarHBondContact O-N 2.88Å
55	T	38.2	Very low	43.2	Very low	138 Å²	138	128.5 Å²	128.5	85%	0.847	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-68.6	121.8	168	27.6	0	0	0	0	108.3
56	L	48.8	Very low	43.9	Very low	46 Å²	46	125 Å²	125	24%	0.241	70%	0.704	C	S	.	*	P	Polyproline II helix	trans	-49.6	137.2	159.3	-76.2	158.3	0	0	0	107.6	D54 E58 Y233 Q237 N256	D54-L56 PolarHBondContact O-N 2.88Å; L56-E58 PolarHBondContact O-N 3.3Å; L56-Y233 HydrophobicContact CD2-CD1 3.87Å; L56-Y233 HydrophobicContact CD2-CE1 3.8Å; L56-Q237 HydrophobicContact CD2-CG 4.12Å; L56-N256 HydrophobicContact CD1-CB 3.55Å; L56-N256 WeakPolarHBondContact CD1-ND2 3.27Å
57	P	46.6	Very low	45.4	Very low	73 Å²	73	115.6 Å²	115.6	47%	0.474	67%	0.67	S	S	.	*	P	Polyproline II helix	trans	-50.7	129.5	174.5	-21.7	30.7	0	0	0	108.7	D59	P57-D59 PolarHBondContact O-N 3.19Å
58	E	43.5	Very low	47.3	Very low	188 Å²	188	115.7 Å²	115.7	88%	0.879	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-54	127.7	175.4	-78.1	-176.1	155.9	0	0	108.5	L56 S60	L56-E58 PolarHBondContact O-N 3.3Å; E58-S60 VanDerWaalsContact C-N 3.29Å; E58-S60 PolarHBondContact O-N 3.24Å
59	D	43.3	Very low	49.6	Very low	117 Å²	117	109.7 Å²	109.7	63%	0.626	62%	0.624	S	S	*	*			trans	-57.1	99.2	169.7	-86.4	-27.6	0	0	0	106.3	P57 A61 K234	P57-D59 PolarHBondContact O-N 3.19Å; D59-A61 VanDerWaalsContact C-N 3.28Å; D59-A61 PolarHBondContact O-N 2.96Å; D59-K234 IonicContact OD1-NZ 3.46Å; D59-K234 IonicContact OD2-NZ 2.81Å
60	S	38.5	Very low	52	Low	103 Å²	103	106.9 Å²	106.9	72%	0.72	61%	0.606	S	S	*	*			trans	-64.2	99	167.9	41.5	0	0	0	0	106.6	E58 G62	E58-S60 VanDerWaalsContact C-N 3.29Å; E58-S60 PolarHBondContact O-N 3.24Å; S60-G62 PolarHBondContact O-N 3.27Å
61	A	38.1	Very low	54.7	Low	99 Å²	99	102 Å²	102	82%	0.818	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53	123	177	0	0	0	0	0	110.2	D59	D59-A61 VanDerWaalsContact C-N 3.28Å; D59-A61 PolarHBondContact O-N 2.96Å
62	G	38.9	Very low	57.4	Low	80 Å²	80	93.7 Å²	93.7	83%	0.825	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	49.6	151.1	0	0	0	0	0	117.9	S60	S60-G62 PolarHBondContact O-N 3.27Å
63	L	39.8	Very low	60.3	Low	128 Å²	128	87.5 Å²	87.5	67%	0.67	51%	0.508	S	S	*	.			trans	-107.4	114	156.2	-85.3	142.8	0	0	0	109.5	L65	L63-L65 HydrophobicContact CB-CB 4.43Å; L63-L65 HydrophobicContact CB-CD1 3.8Å; L63-L65 HydrophobicContact CD2-CD1 3.52Å; L63-L65 HydrophobicContact CG-CD1 4.12Å; L63-L65 PolarHBondContact O-N 3.49Å
64	N	43.7	Very low	63.2	Low	175 Å²	175	78.8 Å²	78.8	94%	0.936	47%	0.467	S	S	*	.			trans	-61.8	60.6	155.9	-80.5	-24.8	0	0	0	109.1
65	L	55.8	Low	65.7	Low	105 Å²	105	73.8 Å²	73.8	55%	0.55	44%	0.441	S	S	.	.			trans	-87.1	109	170.2	-117.1	86.2	0	0	0	106.7	L63 D67	L63-L65 HydrophobicContact CB-CB 4.43Å; L63-L65 HydrophobicContact CB-CD1 3.8Å; L63-L65 HydrophobicContact CD2-CD1 3.52Å; L63-L65 HydrophobicContact CG-CD1 4.12Å; L63-L65 PolarHBondContact O-N 3.49Å; L65-D67 PolarHBondContact O-N 2.96Å; L65-D67 VanDerWaalsContact O-N 3.15Å
66	T	68.8	Low	68.5	Low	72 Å²	72	67.5 Å²	67.5	44%	0.442	40%	0.402	S	S	.	.			trans	-67.2	107.5	159.8	-52	0	0	0	0	106.8	Q68 K270	T66-Q68 PolarHBondContact O-N 3.35Å; T66-K270 HydrophobicContact CG2-CB 3.77Å
67	D	79.6	Confident	70.8	Confident	16 Å²	16	67.3 Å²	67.3	9%	0.086	40%	0.401	C	S	.	.	B	Isolated β-bridge	trans	-64.1	133.7	178.1	-82.6	-1.5	0	0	0	109.5	L65 C69 S227 V269 K270	L65-D67 PolarHBondContact O-N 2.96Å; L65-D67 VanDerWaalsContact O-N 3.15Å; D67-C69 VanDerWaalsContact C-N 3.28Å; D67-C69 WeakPolarHBondContact CB-SG 3.48Å; D67-C69 PolarHBondContact O-N 2.63Å; D67-C69 VanDerWaalsContact O-N 3.1Å; D67-S227 WeakPolarHBondContact OD2-CB 3.35Å; D67-S227 PolarHBondContact OD2-N 3.04Å; D67-S227 PolarHBondContact OD2-OG 2.91Å; D67-V269 HydrophobicContact CB-CG1 4.35Å; D67-V269 WeakPolarHBondContact O-CA 3.23Å; D67-K270 PolarHBondContact O-N 3.39Å
68	Q	89.4	Confident	73.1	Confident	122 Å²	122	63.9 Å²	63.9	57%	0.57	38%	0.379	S	S	*	.			trans	-82.5	78.6	171.2	-66.5	-69.9	-28.3	0	0	108.5	T66 K270	T66-Q68 PolarHBondContact O-N 3.35Å; Q68-K270 WeakPolarHBondContact CA-O 3.12Å; Q68-K270 PolarHBondContact OE1-O 3.08Å
69	C	92.5	Very high	75.5	Confident	3 Å²	3	58.4 Å²	58.4	2%	0.02	36%	0.355	C	S	.	.			trans	-89.5	147.4	179.1	-52.2	0	0	0	0	110.1	D67 V222 Y223 C225 V269 K270 E271	D67-C69 VanDerWaalsContact C-N 3.28Å; D67-C69 WeakPolarHBondContact CB-SG 3.48Å; D67-C69 PolarHBondContact O-N 2.63Å; D67-C69 VanDerWaalsContact O-N 3.1Å; C69-V222 HydrophobicContact CB-CG1 4.05Å; C69-Y223 WeakPolarHBondContact CA-O 3.34Å; C69-C225 HydrophobicContact CB-CB 3.65Å; C69-C225 WeakPolarHBondContact CB-SG 3.36Å; C69-C225 WeakPolarHBondContact SG-CA 3.42Å; C69-C225 WeakPolarHBondContact SG-CB 3.45Å; C69-C225 CovalentContact SG-SG 2.04Å; C69-C225 PolarHBondContact SG-SG 2.8Å; C69-V269 HydrophobicContact CB-CB 4.13Å; C69-V269 HydrophobicContact CB-CG1 4.26Å; C69-V269 WeakPolarHBondContact SG-CG1 3.46Å; C69-K270 PolarHBondContact N-O 3.04Å; C69-E271 WeakPolarHBondContact O-CB 3.41Å
70	S	92.9	Very high	77.7	Confident	49 Å²	49	57.9 Å²	57.9	34%	0.343	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	139.1	164.6	177.5	0	0	0	0	110.1	V222 Y223 E271	S70-V222 CarbonylContact O-C 3.57Å; S70-V222 WeakPolarHBondContact O-CA 3.41Å; S70-Y223 PolarHBondContact N-O 3.45Å; S70-Y223 PolarHBondContact O-N 2.71Å; S70-E271 WeakPolarHBondContact CA-OE1 3.19Å; S70-E271 VanDerWaalsContact CB-OE1 3.29Å; S70-E271 WeakPolarHBondContact CB-OE1 3.38Å; S70-E271 PolarHBondContact OG-OE1 3.3Å
71	M	93.8	Very high	80.3	Confident	4 Å²	4	53.6 Å²	53.6	2%	0.02	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	131	-172.2	-66.5	174.2	-75.2	0	0	110.5	V222 V269 E271 L278 L449	M71-V222 HydrophobicContact CG-CB 4.39Å; M71-V222 HydrophobicContact CG-CG1 3.81Å; M71-V222 HydrophobicContact CG-CG2 4.05Å; M71-V269 HydrophobicContact CE-CG2 4.21Å; M71-E271 PolarHBondContact N-OE1 2.88Å; M71-L278 HydrophobicContact SD-CD2 3.7Å; M71-L449 HydrophobicContact CB-CB 4.35Å; M71-L449 HydrophobicContact CB-CD2 4.06Å; M71-L449 HydrophobicContact SD-CD2 4.32Å
72	T	93.4	Very high	82.9	Confident	27 Å²	27	56.8 Å²	56.8	17%	0.166	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	141.1	174.7	-168.4	0	0	0	0	111.3	V74 I91 V220 A221 Y223	T72-V74 HydrophobicContact CG2-CG2 4.13Å; T72-I91 HydrophobicContact CG2-CG1 4.2Å; T72-I91 WeakPolarHBondContact OG1-CG1 3.37Å; T72-V220 WeakPolarHBondContact O-CA 3.39Å; T72-A221 HydrophobicContact CG2-CB 3.92Å; T72-A221 PolarHBondContact N-O 3.13Å; T72-A221 PolarHBondContact O-N 3.5Å; T72-Y223 HydrophobicContact CG2-CE2 3.92Å
73	L	97.1	Very high	85.5	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	137.4	165.9	-166.3	73.5	0	0	0	109	G90 I91 L218 L449 Q452 L453 V456	L73-G90 WeakPolarHBondContact O-CA 3.14Å; L73-I91 PolarHBondContact O-N 3.41Å; L73-L218 HydrophobicContact CD1-CD1 4.07Å; L73-L218 HydrophobicContact CD1-CD2 3.96Å; L73-L218 HydrophobicContact CD1-CG 4.02Å; L73-L218 HydrophobicContact CD2-CD1 4.39Å; L73-L449 HydrophobicContact CB-CD1 3.87Å; L73-L449 HydrophobicContact CD1-CD1 3.96Å; L73-Q452 HydrophobicContact CB-CB 4.17Å; L73-Q452 VanDerWaalsContact CB-OE1 3.22Å; L73-Q452 HydrophobicContact CD2-CB 4.28Å; L73-Q452 VanDerWaalsContact N-OE1 3.12Å; L73-L453 HydrophobicContact CD1-CD1 3.85Å; L73-V456 HydrophobicContact CD2-CB 4.07Å; L73-V456 HydrophobicContact CD2-CG2 3.43Å; L73-V456 VanDerWaalsContact CD2-CG2 3.43Å
74	V	98.4	Very high	87.9	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	133.3	177.1	-179.3	0	0	0	0	107.7	T72 I91 L93 A96 F201 L218 G219 A221	T72-V74 HydrophobicContact CG2-CG2 4.13Å; V74-I91 CarbonylContact C-O 3.58Å; V74-I91 VanDerWaalsContact CA-O 3.3Å; V74-I91 WeakPolarHBondContact CA-O 3.46Å; V74-L93 HydrophobicContact CG1-CB 4.11Å; V74-L93 HydrophobicContact CG1-CD1 3.62Å; V74-L93 HydrophobicContact CG1-CG 4.49Å; V74-A96 HydrophobicContact CB-CB 4.33Å; V74-A96 HydrophobicContact CG1-CB 3.58Å; V74-A96 HydrophobicContact CG2-CB 3.71Å; V74-F201 HydrophobicContact CB-CE2 4.03Å; V74-F201 HydrophobicContact CG1-CE2 3.94Å; V74-F201 HydrophobicContact CG2-CD2 4.41Å; V74-F201 HydrophobicContact CG2-CE2 4.38Å; V74-L218 CarbonylContact O-C 3.53Å; V74-L218 WeakPolarHBondContact O-CA 3.36Å; V74-G219 PolarHBondContact N-O 3.13Å; V74-G219 PolarHBondContact O-N 3.08Å; V74-A221 HydrophobicContact CG2-CB 3.81Å
75	E	97.7	Very high	89.9	Confident	4 Å²	4	55 Å²	55	2%	0.019	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	158.5	174.8	69.5	179.2	145.7	0	0	112.5	I77 F89 G90 I91 P92 L93 K216 E217 R459	E75-I77 HydrophobicContact CG-CD1 4.38Å; E75-I77 WeakPolarHBondContact OE2-CD1 3.39Å; E75-F89 WeakPolarHBondContact OE1-CA 3.42Å; E75-G90 PolarHBondContact OE1-N 2.92Å; E75-I91 PolarHBondContact N-O 3.32Å; E75-P92 CarbonylContact O-C 3.58Å; E75-P92 WeakPolarHBondContact O-CA 3.5Å; E75-L93 PolarHBondContact O-N 2.8Å; E75-K216 IonicContact OE2-NZ 3.12Å; E75-K216 PolarHBondContact OE2-NZ 2.89Å; E75-K216 VanDerWaalsContact OE2-NZ 3.08Å; E75-E217 WeakPolarHBondContact CA-O 3.44Å; E75-E217 VanDerWaalsContact CB-O 3.29Å; E75-E217 WeakPolarHBondContact CB-O 3.49Å; E75-R459 IonicContact OE1-CZ 3.77Å; E75-R459 IonicContact OE1-NH1 2.88Å; E75-R459 PolarHBondContact OE1-NH1 3.28Å; E75-R459 IonicContact OE1-NH2 3.54Å; E75-R459 IonicContact OE2-CZ 2.68Å; E75-R459 IonicContact OE2-NH1 2.7Å; E75-R459 PolarHBondContact OE2-NH1 3.25Å; E75-R459 IonicContact OE2-NH2 3.59Å; E75-R459 PolarHBondContact OE2-NH2 2.85Å
76	S	97.9	Very high	91.4	Very high	5 Å²	5	56.6 Å²	56.6	4%	0.035	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	139	162.9	56.9	0	0	0	0	109.2	A211 V215 K216 E217	S76-A211 WeakPolarHBondContact CB-O 3.33Å; S76-A211 PolarHBondContact OG-O 3.42Å; S76-V215 PolarHBondContact OG-O 3.47Å; S76-K216 WeakPolarHBondContact O-CA 3.27Å; S76-E217 PolarHBondContact N-O 2.83Å; S76-E217 PolarHBondContact O-N 3.13Å; S76-E217 VanDerWaalsContact OG-CB 3.25Å; S76-E217 WeakPolarHBondContact OG-CB 3.39Å; S76-E217 WeakPolarHBondContact OG-CG 3.18Å; S76-E217 PolarHBondContact OG-N 2.92Å
77	I	97.3	Very high	92.4	Very high	43 Å²	43	54.2 Å²	54.2	22%	0.221	29%	0.291	C	S	.	.			trans	-110.3	121.8	173.2	-60.1	-57.3	0	0	0	106.6	E75 L79 L81 Y83 F89	E75-I77 HydrophobicContact CG-CD1 4.38Å; E75-I77 WeakPolarHBondContact OE2-CD1 3.39Å; I77-L79 PolarHBondContact O-N 3.22Å; I77-L81 HydrophobicContact CG2-CB 3.95Å; I77-L81 HydrophobicContact CG2-CD2 4.19Å; I77-L81 HydrophobicContact CG2-CG 4.48Å; I77-Y83 HydrophobicContact CD1-CE2 4.04Å; I77-Y83 HydrophobicContact CG2-CE2 4.08Å; I77-F89 HydrophobicContact CD1-CD1 4.23Å; I77-F89 HydrophobicContact CD1-CE1 4.19Å; I77-F89 HydrophobicContact CG1-CD1 3.92Å; I77-F89 HydrophobicContact CG1-CE1 3.92Å
78	P	95.9	Very high	92.8	Very high	1 Å²	1	56.7 Å²	56.7	1%	0.006	31%	0.306	C	S	.	.			trans	-51.6	137.8	177	-28.1	33.5	0	0	0	111.1	L81 T213 K216 V388 R400	P78-L81 HydrophobicContact CB-CB 4.37Å; P78-L81 HydrophobicContact CG-CD2 4.32Å; P78-L81 WeakPolarHBondContact O-CB 3.43Å; P78-L81 PolarHBondContact O-N 3.31Å; P78-T213 WeakPolarHBondContact CA-O 3.33Å; P78-K216 HydrophobicContact CG-CB 3.91Å; P78-V388 HydrophobicContact CB-CG1 4.03Å; P78-V388 HydrophobicContact CG-CG1 3.99Å; P78-V388 HydrophobicContact CG-CG2 4.47Å; P78-R400 VanDerWaalsContact CB-NH1 3.3Å
79	L	93.5	Very high	93	Very high	73 Å²	73	55.7 Å²	55.7	38%	0.382	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	145.9	176	-71.4	173.5	0	0	0	110.6	I77 L81 T128 T213 R400	I77-L79 PolarHBondContact O-N 3.22Å; L79-L81 PolarHBondContact O-N 2.75Å; L79-L81 VanDerWaalsContact O-N 3.1Å; L79-T128 HydrophobicContact CD1-CG2 3.45Å; L79-T128 VanDerWaalsContact CD1-CG2 3.45Å; L79-T213 VanDerWaalsContact CG-O 3.32Å; L79-T213 WeakPolarHBondContact CG-O 3.3Å; L79-T213 PolarHBondContact N-O 3.36Å; L79-R400 PolarHBondContact O-NH1 2.82Å; L79-R400 PolarHBondContact O-NH2 3.3Å
80	C	88.8	Confident	93.1	Very high	105 Å²	105	56.1 Å²	56.1	71%	0.709	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	-2.8	-175.4	-49.5	0	0	0	0	115.8	K82	C80-K82 PolarHBondContact O-N 3.4Å
81	L	92.9	Very high	93.3	Very high	14 Å²	14	56.9 Å²	56.9	7%	0.073	31%	0.305	C	S	.	.			trans	-80.2	115.6	170.7	-160.7	72.4	0	0	0	109.2	I77 P78 L79 Y83 V388 F465	I77-L81 HydrophobicContact CG2-CB 3.95Å; I77-L81 HydrophobicContact CG2-CD2 4.19Å; I77-L81 HydrophobicContact CG2-CG 4.48Å; P78-L81 HydrophobicContact CB-CB 4.37Å; P78-L81 HydrophobicContact CG-CD2 4.32Å; P78-L81 WeakPolarHBondContact O-CB 3.43Å; P78-L81 PolarHBondContact O-N 3.31Å; L79-L81 PolarHBondContact O-N 2.75Å; L79-L81 VanDerWaalsContact O-N 3.1Å; L81-Y83 HydrophobicContact CD2-CE2 4.07Å; L81-Y83 HydrophobicContact CG-CE2 4.35Å; L81-V388 HydrophobicContact CD1-CG1 4.27Å; L81-F465 HydrophobicContact CD1-CD1 3.62Å; L81-F465 HydrophobicContact CD1-CD2 3.82Å; L81-F465 HydrophobicContact CD1-CE1 3.33Å; L81-F465 HydrophobicContact CD1-CE2 3.53Å; L81-F465 HydrophobicContact CD1-CG 3.87Å; L81-F465 HydrophobicContact CD1-CZ 3.3Å; L81-F465 HydrophobicContact CD2-CD2 4.37Å; L81-F465 HydrophobicContact CD2-CE2 4.36Å; L81-F465 HydrophobicContact CG-CD2 4.11Å; L81-F465 HydrophobicContact CG-CE1 4.34Å; L81-F465 HydrophobicContact CG-CE2 3.67Å; L81-F465 HydrophobicContact CG-CZ 3.83Å
82	K	92.3	Very high	93.5	Very high	166 Å²	166	60.4 Å²	60.4	72%	0.722	33%	0.328	S	S	*	.			trans	-114.3	132.2	-177.7	-65	-176	-179.9	-178.8	0	109.8	C80 F465	C80-K82 PolarHBondContact O-N 3.4Å; K82-F465 WeakPolarHBondContact O-CE2 3.42Å; K82-F465 WeakPolarHBondContact O-CZ 3.31Å
83	Y	94.2	Very high	93.7	Very high	32 Å²	32	59.3 Å²	59.3	13%	0.125	32%	0.321	C	S	.	.			trans	-105.2	172.6	167.9	-63.3	-101.8	0	0	0	109.2	I77 L81 A87 F89 Y386 R459 D460 F465	I77-Y83 HydrophobicContact CD1-CE2 4.04Å; I77-Y83 HydrophobicContact CG2-CE2 4.08Å; L81-Y83 HydrophobicContact CD2-CE2 4.07Å; L81-Y83 HydrophobicContact CG-CE2 4.35Å; Y83-A87 HydrophobicContact CG-CB 4.42Å; Y83-F89 AromaticContact CD2-CE1 3.8Å; Y83-F89 HydrophobicContact CD2-CE1 3.8Å; Y83-F89 AromaticContact CD2-CZ 3.91Å; Y83-F89 HydrophobicContact CD2-CZ 3.91Å; Y83-F89 HydrophobicContact CE2-CE1 4.19Å; Y83-F89 HydrophobicContact CG-CE1 4.43Å; Y83-F89 HydrophobicContact CG-CZ 4.24Å; Y83-Y386 PolarHBondContact OH-OH 2.84Å; Y83-R459 HydrophobicContact CD1-CG 3.63Å; Y83-R459 HydrophobicContact CE1-CG 3.88Å; Y83-R459 HydrophobicContact CG-CG 4.36Å; Y83-D460 PolarHBondContact OH-OD1 2.68Å; Y83-D460 VanDerWaalsContact OH-OD1 3.06Å; Y83-F465 HydrophobicContact CD1-CE2 4.5Å; Y83-F465 HydrophobicContact CE1-CD2 4.24Å; Y83-F465 HydrophobicContact CE1-CE2 4.41Å
84	D	90.6	Very high	93.8	Very high	132 Å²	132	62.1 Å²	62.1	71%	0.706	33%	0.334	S	S	*	.			trans	-55.1	150.6	173	-63.6	-33.6	0	0	0	112.2	N86 A87	D84-N86 PolarHBondContact O-N 2.98Å; D84-A87 WeakPolarHBondContact O-CB 3.17Å; D84-A87 PolarHBondContact O-N 3.25Å
85	N	85.6	Confident	93.8	Very high	182 Å²	182	66.5 Å²	66.5	97%	0.973	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-20.4	-173.9	-68.7	-28.5	0	0	0	114.6
86	N	86.4	Confident	93.8	Very high	138 Å²	138	66.3 Å²	66.3	74%	0.738	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	9.2	178.7	65.7	-11.9	0	0	0	113.1	D84	D84-N86 PolarHBondContact O-N 2.98Å
87	A	89.3	Confident	93.8	Very high	22 Å²	22	66 Å²	66	18%	0.182	35%	0.352	C	S	.	.			trans	-61.1	137.4	177.8	0	0	0	0	0	111.3	Y83 D84 F89 R459	Y83-A87 HydrophobicContact CG-CB 4.42Å; D84-A87 WeakPolarHBondContact O-CB 3.17Å; D84-A87 PolarHBondContact O-N 3.25Å; A87-F89 HydrophobicContact CB-CD2 4.42Å; A87-F89 HydrophobicContact CB-CE2 3.54Å; A87-F89 HydrophobicContact CB-CZ 3.67Å; A87-F89 VanDerWaalsContact O-CD2 3.24Å; A87-F89 WeakPolarHBondContact O-CD2 3.34Å; A87-F89 VanDerWaalsContact O-CE2 3.28Å; A87-F89 WeakPolarHBondContact O-CE2 3.48Å; A87-R459 HydrophobicContact CB-CG 4.04Å
88	T	88	Confident	93.9	Very high	68 Å²	68	67.2 Å²	67.2	42%	0.417	36%	0.355	S	S	.	.			trans	-85	138.6	175.4	-60	0	0	0	0	109.6	D455 R459	T88-D455 HydrophobicContact CG2-CB 4.32Å; T88-R459 WeakPolarHBondContact O-CD 3.43Å; T88-R459 PolarHBondContact O-NH1 3.07Å
89	F	93.8	Very high	94	Very high	100 Å²	100	69.4 Å²	69.4	44%	0.439	37%	0.367	S	S	.	.			trans	-131.6	150.6	179.5	-62.4	-88	0	0	0	111.8	E75 I77 Y83 A87	E75-F89 WeakPolarHBondContact OE1-CA 3.42Å; I77-F89 HydrophobicContact CD1-CD1 4.23Å; I77-F89 HydrophobicContact CD1-CE1 4.19Å; I77-F89 HydrophobicContact CG1-CD1 3.92Å; I77-F89 HydrophobicContact CG1-CE1 3.92Å; Y83-F89 AromaticContact CD2-CE1 3.8Å; Y83-F89 HydrophobicContact CD2-CE1 3.8Å; Y83-F89 AromaticContact CD2-CZ 3.91Å; Y83-F89 HydrophobicContact CD2-CZ 3.91Å; Y83-F89 HydrophobicContact CE2-CE1 4.19Å; Y83-F89 HydrophobicContact CG-CE1 4.43Å; Y83-F89 HydrophobicContact CG-CZ 4.24Å; A87-F89 HydrophobicContact CB-CD2 4.42Å; A87-F89 HydrophobicContact CB-CE2 3.54Å; A87-F89 HydrophobicContact CB-CZ 3.67Å; A87-F89 VanDerWaalsContact O-CD2 3.24Å; A87-F89 WeakPolarHBondContact O-CD2 3.34Å; A87-F89 VanDerWaalsContact O-CE2 3.28Å; A87-F89 WeakPolarHBondContact O-CE2 3.48Å
90	G	94.8	Very high	94.3	Very high	12 Å²	12	65.9 Å²	65.9	12%	0.124	35%	0.349	C	S	.	.			trans	-74.1	177.6	163.4	0	0	0	0	0	112.2	L73 E75	L73-G90 WeakPolarHBondContact O-CA 3.14Å; E75-G90 PolarHBondContact OE1-N 2.92Å
91	I	96.9	Very high	94.7	Very high	65 Å²	65	61.4 Å²	61.4	33%	0.333	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	135.2	172.2	-59.7	-65.4	0	0	0	109	T72 L73 V74 E75 L93 Q95 A96	T72-I91 HydrophobicContact CG2-CG1 4.2Å; T72-I91 WeakPolarHBondContact OG1-CG1 3.37Å; L73-I91 PolarHBondContact O-N 3.41Å; V74-I91 CarbonylContact C-O 3.58Å; V74-I91 VanDerWaalsContact CA-O 3.3Å; V74-I91 WeakPolarHBondContact CA-O 3.46Å; E75-I91 PolarHBondContact N-O 3.32Å; I91-L93 PolarHBondContact O-N 3.34Å; I91-Q95 HydrophobicContact CG2-CB 4.14Å; I91-Q95 HydrophobicContact CG2-CG 4.15Å; I91-A96 HydrophobicContact CG2-CB 4.23Å
92	P	98.1	Very high	95	Very high	78 Å²	78	64.3 Å²	64.3	51%	0.506	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	134	175.5	-27.5	35.7	0	0	0	112.1	E75 E94 Q95 A96	E75-P92 CarbonylContact O-C 3.58Å; E75-P92 WeakPolarHBondContact O-CA 3.5Å; P92-E94 VanDerWaalsContact C-N 3.29Å; P92-E94 PolarHBondContact O-N 3.44Å; P92-Q95 HydrophobicContact CB-CB 4.17Å; P92-Q95 WeakPolarHBondContact O-CA 3.07Å; P92-Q95 WeakPolarHBondContact O-CB 3.45Å; P92-Q95 PolarHBondContact O-N 2.86Å; P92-A96 PolarHBondContact O-N 2.87Å
93	L	98.5	Very high	95.3	Very high	4 Å²	4	62.4 Å²	62.4	2%	0.021	33%	0.327	C	S	.	.	H	α-helix	trans	-53.2	-44.1	-177.8	-177.9	63.9	0	0	0	113.4	V74 E75 I91 Q95 A96 W97 F201 A205 A211 L212 E217	V74-L93 HydrophobicContact CG1-CB 4.11Å; V74-L93 HydrophobicContact CG1-CD1 3.62Å; V74-L93 HydrophobicContact CG1-CG 4.49Å; E75-L93 PolarHBondContact O-N 2.8Å; I91-L93 PolarHBondContact O-N 3.34Å; L93-Q95 VanDerWaalsContact C-N 3.34Å; L93-Q95 PolarHBondContact O-N 3.36Å; L93-A96 PolarHBondContact O-N 2.83Å; L93-W97 HydrophobicContact CD1-CD2 4.32Å; L93-W97 HydrophobicContact CD1-CZ2 3.92Å; L93-W97 HydrophobicContact CD2-CH2 4.35Å; L93-W97 HydrophobicContact CD2-CZ2 4.13Å; L93-W97 HydrophobicContact CG-CD2 4.36Å; L93-W97 HydrophobicContact CG-CZ2 4.15Å; L93-W97 PolarHBondContact O-N 2.91Å; L93-F201 HydrophobicContact CD1-CE1 4.48Å; L93-F201 HydrophobicContact CD1-CE2 3.75Å; L93-F201 HydrophobicContact CD1-CZ 3.55Å; L93-A205 HydrophobicContact CD1-CB 4.33Å; L93-A205 HydrophobicContact CD2-CB 3.44Å; L93-A205 VanDerWaalsContact CD2-CB 3.44Å; L93-A211 HydrophobicContact CD2-CB 4.47Å; L93-L212 HydrophobicContact CB-CD2 4.22Å; L93-L212 HydrophobicContact CD2-CD2 3.85Å; L93-L212 HydrophobicContact CG-CD2 3.79Å; L93-E217 HydrophobicContact CD2-CB 4.28Å; L93-E217 HydrophobicContact CD2-CG 4.48Å
94	E	98.2	Very high	95.5	Very high	60 Å²	60	61 Å²	61	28%	0.28	32%	0.322	S	S	.	.	H	α-helix	trans	-58.2	-46.1	175.9	-174	-169.6	165.7	0	0	111.7	P92 W97 K98 A131 L212	P92-E94 VanDerWaalsContact C-N 3.29Å; P92-E94 PolarHBondContact O-N 3.44Å; E94-W97 PolarHBondContact O-N 2.85Å; E94-K98 HydrophobicContact CG-CD 4.18Å; E94-K98 WeakPolarHBondContact O-CB 3.47Å; E94-K98 WeakPolarHBondContact O-CG 3.38Å; E94-K98 PolarHBondContact O-N 3.42Å; E94-K98 WeakPolarHBondContact OE1-CE 3.46Å; E94-K98 IonicContact OE1-NZ 3.3Å; E94-K98 PolarHBondContact OE1-NZ 3.03Å; E94-A131 VanDerWaalsContact CD-CB 3.42Å; E94-A131 HydrophobicContact CG-CB 4.01Å; E94-A131 WeakPolarHBondContact OE2-CB 3.42Å; E94-L212 HydrophobicContact CB-CD2 4.12Å
95	Q	98.4	Very high	95.8	Very high	92 Å²	92	57.9 Å²	57.9	43%	0.43	31%	0.31	S	S	.	.	H	α-helix	trans	-62.9	-45.8	178.5	-177.1	62.5	38.4	0	0	110.9	I91 P92 L93 W97 K98 D99	I91-Q95 HydrophobicContact CG2-CB 4.14Å; I91-Q95 HydrophobicContact CG2-CG 4.15Å; P92-Q95 HydrophobicContact CB-CB 4.17Å; P92-Q95 WeakPolarHBondContact O-CA 3.07Å; P92-Q95 WeakPolarHBondContact O-CB 3.45Å; P92-Q95 PolarHBondContact O-N 2.86Å; L93-Q95 VanDerWaalsContact C-N 3.34Å; L93-Q95 PolarHBondContact O-N 3.36Å; Q95-W97 VanDerWaalsContact C-N 3.33Å; Q95-W97 PolarHBondContact O-N 2.89Å; Q95-K98 PolarHBondContact O-N 2.9Å; Q95-D99 PolarHBondContact NE2-OD1 2.94Å; Q95-D99 WeakPolarHBondContact O-CB 3.37Å; Q95-D99 VanDerWaalsContact O-CG 3.22Å; Q95-D99 PolarHBondContact O-N 2.9Å
96	A	98.4	Very high	96.5	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61.1	-40.8	179.6	0	0	0	0	0	112.3	V74 I91 P92 L93 L100	V74-A96 HydrophobicContact CB-CB 4.33Å; V74-A96 HydrophobicContact CG1-CB 3.58Å; V74-A96 HydrophobicContact CG2-CB 3.71Å; I91-A96 HydrophobicContact CG2-CB 4.23Å; P92-A96 PolarHBondContact O-N 2.87Å; L93-A96 PolarHBondContact O-N 2.83Å; A96-L100 WeakPolarHBondContact O-CG 3.34Å; A96-L100 PolarHBondContact O-N 2.84Å
97	W	98.7	Very high	97	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-69.4	-43.6	175.9	-71.1	0.3	0	0	0	112.4	L93 E94 Q95 D99 L100 I101 I135 W193 F201 A205 M207 L212	L93-W97 HydrophobicContact CD1-CD2 4.32Å; L93-W97 HydrophobicContact CD1-CZ2 3.92Å; L93-W97 HydrophobicContact CD2-CH2 4.35Å; L93-W97 HydrophobicContact CD2-CZ2 4.13Å; L93-W97 HydrophobicContact CG-CD2 4.36Å; L93-W97 HydrophobicContact CG-CZ2 4.15Å; L93-W97 PolarHBondContact O-N 2.91Å; E94-W97 PolarHBondContact O-N 2.85Å; Q95-W97 VanDerWaalsContact C-N 3.33Å; Q95-W97 PolarHBondContact O-N 2.89Å; W97-D99 VanDerWaalsContact C-N 3.28Å; W97-D99 PolarHBondContact O-N 3.04Å; W97-L100 PolarHBondContact O-N 3.48Å; W97-I101 WeakPolarHBondContact O-CG1 3.29Å; W97-I101 PolarHBondContact O-N 2.84Å; W97-I135 HydrophobicContact CB-CD1 3.73Å; W97-I135 HydrophobicContact CE3-CD1 4.4Å; W97-I135 HydrophobicContact CE3-CG1 4.18Å; W97-I135 HydrophobicContact CE3-CG2 4.02Å; W97-I135 HydrophobicContact CZ3-CG2 4.5Å; W97-W193 HydrophobicContact CB-CH2 4.42Å; W97-W193 HydrophobicContact CB-CZ2 4.46Å; W97-W193 HydrophobicContact CD2-CH2 4.49Å; W97-W193 AromaticContact CD2-CZ2 3.76Å; W97-W193 HydrophobicContact CD2-CZ2 3.76Å; W97-W193 AromaticContact CE2-NE1 3.9Å; W97-W193 HydrophobicContact CE3-CZ2 4.03Å; W97-W193 HydrophobicContact CG-CH2 4.4Å; W97-W193 AromaticContact CG-CZ2 3.98Å; W97-W193 HydrophobicContact CG-CZ2 3.98Å; W97-W193 AromaticContact NE1-NE1 3.87Å; W97-F201 HydrophobicContact CZ2-CE1 4.31Å; W97-F201 AromaticContact NE1-CD1 3.73Å; W97-F201 AromaticContact NE1-CE1 3.54Å; W97-F201 AromaticContact NE1-CZ 3.69Å; W97-A205 HydrophobicContact CH2-CB 4.23Å; W97-A205 HydrophobicContact CZ2-CB 3.87Å; W97-M207 HydrophobicContact CE3-CE 4.48Å; W97-M207 HydrophobicContact CH2-CE 4.46Å; W97-M207 HydrophobicContact CH2-SD 3.85Å; W97-M207 HydrophobicContact CZ2-SD 4.31Å; W97-M207 HydrophobicContact CZ3-CE 4.06Å; W97-M207 HydrophobicContact CZ3-SD 4.04Å; W97-L212 HydrophobicContact CD2-CD2 4.48Å; W97-L212 HydrophobicContact CE3-CD2 3.8Å; W97-L212 HydrophobicContact CH2-CD2 4.42Å; W97-L212 HydrophobicContact CZ3-CD1 4.38Å; W97-L212 HydrophobicContact CZ3-CD2 3.77Å; W97-L212 HydrophobicContact CZ3-CG 4.27Å
98	K	98.6	Very high	97.5	Very high	67 Å²	67	49 Å²	49	29%	0.291	26%	0.257	S	S	.	.	H	α-helix	trans	-58.2	-41.6	173.6	-76.9	179.7	170.7	174.6	0	111.1	E94 Q95 I101 S102 D134 I135	E94-K98 HydrophobicContact CG-CD 4.18Å; E94-K98 WeakPolarHBondContact O-CB 3.47Å; E94-K98 WeakPolarHBondContact O-CG 3.38Å; E94-K98 PolarHBondContact O-N 3.42Å; E94-K98 WeakPolarHBondContact OE1-CE 3.46Å; E94-K98 IonicContact OE1-NZ 3.3Å; E94-K98 PolarHBondContact OE1-NZ 3.03Å; Q95-K98 PolarHBondContact O-N 2.9Å; K98-I101 PolarHBondContact O-N 2.96Å; K98-S102 WeakPolarHBondContact O-CB 3.32Å; K98-S102 PolarHBondContact O-N 2.91Å; K98-D134 IonicContact NZ-OD2 3.9Å; K98-D134 PolarHBondContact NZ-OD2 2.74Å; K98-I135 HydrophobicContact CG-CD1 3.81Å
99	D	98.4	Very high	98	Very high	47 Å²	47	45.7 Å²	45.7	25%	0.251	24%	0.237	S	C	.	.	H	α-helix	trans	-63.3	-44.3	176.7	-73.9	-13.8	0	0	0	112.1	Q95 W97 S102 R103	Q95-D99 PolarHBondContact NE2-OD1 2.94Å; Q95-D99 WeakPolarHBondContact O-CB 3.37Å; Q95-D99 VanDerWaalsContact O-CG 3.22Å; Q95-D99 PolarHBondContact O-N 2.9Å; W97-D99 VanDerWaalsContact C-N 3.28Å; W97-D99 PolarHBondContact O-N 3.04Å; D99-S102 PolarHBondContact O-N 3.06Å; D99-S102 PolarHBondContact O-OG 2.84Å; D99-R103 WeakPolarHBondContact O-CD 3.33Å; D99-R103 VanDerWaalsContact O-CG 3.25Å; D99-R103 WeakPolarHBondContact O-CG 3.47Å; D99-R103 PolarHBondContact O-N 2.82Å; D99-R103 VanDerWaalsContact O-N 3.17Å
100	L	98.7	Very high	98.3	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.6	-43.7	176	-74.4	168.7	0	0	0	112.2	A96 W97 R103 A104 V195 H199 F201 Y223	A96-L100 WeakPolarHBondContact O-CG 3.34Å; A96-L100 PolarHBondContact O-N 2.84Å; W97-L100 PolarHBondContact O-N 3.48Å; L100-R103 PolarHBondContact O-N 3.01Å; L100-A104 PolarHBondContact O-N 3.31Å; L100-V195 HydrophobicContact CB-CG2 4.12Å; L100-V195 HydrophobicContact CD2-CG2 4.27Å; L100-H199 HydrophobicContact CD2-CB 3.72Å; L100-F201 HydrophobicContact CD1-CB 3.7Å; L100-Y223 HydrophobicContact CD2-CD1 4.42Å; L100-Y223 HydrophobicContact CD2-CE1 3.82Å; L100-Y223 HydrophobicContact CG-CE1 4.42Å
101	I	98.7	Very high	98.5	Very high	10 Å²	10	40.4 Å²	40.4	5%	0.051	21%	0.21	C	C	.	.	H	α-helix	trans	-63.6	-44.2	176.9	-66.7	167	0	0	0	110.8	W97 K98 R103 A104 I135 A138 L139 L142 W193	W97-I101 WeakPolarHBondContact O-CG1 3.29Å; W97-I101 PolarHBondContact O-N 2.84Å; K98-I101 PolarHBondContact O-N 2.96Å; I101-R103 PolarHBondContact O-N 2.95Å; I101-A104 WeakPolarHBondContact O-CB 3.44Å; I101-A104 PolarHBondContact O-N 2.95Å; I101-I135 HydrophobicContact CD1-CD1 4.06Å; I101-I135 HydrophobicContact CD1-CG2 4.5Å; I101-A138 HydrophobicContact CD1-CB 4.05Å; I101-A138 HydrophobicContact CG2-CB 4.04Å; I101-L139 HydrophobicContact CD1-CD2 4.34Å; I101-L139 HydrophobicContact CD1-CG 4.18Å; I101-L139 HydrophobicContact CG1-CD2 4.36Å; I101-L142 HydrophobicContact CG2-CD1 4.31Å; I101-L142 HydrophobicContact CG2-CD2 4.1Å; I101-L142 HydrophobicContact CG2-CG 4.34Å; I101-W193 HydrophobicContact CD1-CH2 4.1Å; I101-W193 HydrophobicContact CD1-CZ3 4.09Å; I101-W193 HydrophobicContact CG1-CH2 4.31Å; I101-W193 HydrophobicContact CG1-CZ3 3.79Å
102	S	98.2	Very high	98.5	Very high	75 Å²	75	37.4 Å²	37.4	52%	0.524	20%	0.195	S	C	.	.	H	α-helix	trans	-62.1	-31.6	-178.9	76.9	0	0	0	0	113	K98 D99	K98-S102 WeakPolarHBondContact O-CB 3.32Å; K98-S102 PolarHBondContact O-N 2.91Å; D99-S102 PolarHBondContact O-N 3.06Å; D99-S102 PolarHBondContact O-OG 2.84Å
103	R	98.1	Very high	98.5	Very high	127 Å²	127	34.6 Å²	34.6	48%	0.479	18%	0.175	S	C	.	.	H	α-helix	trans	-81.2	-15.6	-179.5	-70.5	169.3	-178.1	-80	0.1	113.6	D99 L100 I101 S105	D99-R103 WeakPolarHBondContact O-CD 3.33Å; D99-R103 VanDerWaalsContact O-CG 3.25Å; D99-R103 WeakPolarHBondContact O-CG 3.47Å; D99-R103 PolarHBondContact O-N 2.82Å; D99-R103 VanDerWaalsContact O-N 3.17Å; L100-R103 PolarHBondContact O-N 3.01Å; I101-R103 PolarHBondContact O-N 2.95Å; R103-S105 PolarHBondContact O-N 3.38Å
104	A	98.5	Very high	98.5	Very high	2 Å²	2	36 Å²	36	2%	0.017	18%	0.18	C	C	.	.			trans	-63.7	132.8	-177.2	0	0	0	0	0	111.5	L100 I101 V108 L142 I147 V195	L100-A104 PolarHBondContact O-N 3.31Å; I101-A104 WeakPolarHBondContact O-CB 3.44Å; I101-A104 PolarHBondContact O-N 2.95Å; A104-V108 HydrophobicContact CB-CG2 3.5Å; A104-V108 VanDerWaalsContact CB-CG2 3.5Å; A104-L142 HydrophobicContact CB-CD2 4.29Å; A104-I147 HydrophobicContact CB-CD1 4.27Å; A104-I147 HydrophobicContact CB-CG2 4.2Å; A104-I147 WeakPolarHBondContact O-CD1 3.35Å; A104-V195 HydrophobicContact CB-CG1 3.7Å
105	S	98.3	Very high	98.5	Very high	66 Å²	66	33.4 Å²	33.4	46%	0.462	17%	0.168	S	C	.	.	S	Bend	trans	-129.3	-24.8	-177.8	58.2	0	0	0	0	113.2	R103 D196	R103-S105 PolarHBondContact O-N 3.38Å; S105-D196 WeakPolarHBondContact CB-OD2 3.18Å; S105-D196 PolarHBondContact N-OD1 3.44Å; S105-D196 PolarHBondContact N-OD2 2.62Å; S105-D196 PolarHBondContact OG-OD2 2.85Å
106	H	98.5	Very high	98.4	Very high	136 Å²	136	29 Å²	29	63%	0.63	15%	0.147	S	C	*	.	S	Bend	trans	-133.4	-45.7	-176.5	-59.5	86.3	0	0	0	112.8	S148 D196	H106-S148 PolarHBondContact O-N 3.16Å; H106-D196 WeakPolarHBondContact CA-OD1 3.25Å; H106-D196 PolarHBondContact N-OD1 3.07Å
107	S	98.8	Very high	98.4	Very high	19 Å²	19	29 Å²	29	13%	0.133	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	149.6	-176.5	66.5	0	0	0	0	115	S148 V195 D196	S107-S148 CarbonylContact C-O 3.53Å; S107-S148 WeakPolarHBondContact CA-O 3.2Å; S107-V195 WeakPolarHBondContact O-CA 3.42Å; S107-D196 PolarHBondContact N-OD1 2.76Å; S107-D196 PolarHBondContact O-N 3.09Å
108	V	98.9	Very high	98.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	124.8	171.3	179.6	0	0	0	0	108.8	A104 V110 L139 L142 I147 S148 V149 R150 W193 V195	A104-V108 HydrophobicContact CB-CG2 3.5Å; A104-V108 VanDerWaalsContact CB-CG2 3.5Å; V108-V110 HydrophobicContact CG1-CG2 3.8Å; V108-L139 HydrophobicContact CG1-CD2 4.23Å; V108-L142 HydrophobicContact CB-CD1 4.19Å; V108-L142 HydrophobicContact CG2-CD1 3.64Å; V108-I147 HydrophobicContact CG2-CG2 4.29Å; V108-S148 PolarHBondContact N-O 3.4Å; V108-V149 HydrophobicContact CB-CG1 4.37Å; V108-V149 HydrophobicContact CB-CG2 4.48Å; V108-V149 CarbonylContact O-C 3.5Å; V108-V149 VanDerWaalsContact O-CA 3.32Å; V108-V149 WeakPolarHBondContact O-CA 3.19Å; V108-R150 PolarHBondContact O-N 2.96Å; V108-W193 HydrophobicContact CG1-CE3 4.13Å; V108-W193 HydrophobicContact CG1-CZ3 4.37Å; V108-V195 HydrophobicContact CG1-CG2 4.38Å; V108-V195 HydrophobicContact CG2-CG1 4.29Å; V108-V195 HydrophobicContact CG2-CG2 4.25Å
109	N	98.9	Very high	98.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	121	176.1	-51.8	-86.4	0	0	0	108.6	R150 W193 I194 F236	N109-R150 CarbonylContact C-O 3.56Å; N109-R150 VanDerWaalsContact CA-O 3.27Å; N109-R150 WeakPolarHBondContact CA-O 3.43Å; N109-R150 VanDerWaalsContact OD1-CZ 3.3Å; N109-R150 PolarHBondContact OD1-NE 3.39Å; N109-R150 PolarHBondContact OD1-NH2 3.46Å; N109-W193 CarbonylContact O-C 3.56Å; N109-W193 VanDerWaalsContact O-CA 3.31Å; N109-W193 WeakPolarHBondContact O-CA 3.48Å; N109-I194 HydrophobicContact CB-CB 4.27Å; N109-I194 PolarHBondContact N-O 3.1Å; N109-I194 PolarHBondContact ND2-O 3.48Å; N109-I194 PolarHBondContact O-N 2.94Å; N109-F236 HydrophobicContact CB-CD1 4.4Å; N109-F236 HydrophobicContact CB-CD2 3.87Å; N109-F236 HydrophobicContact CB-CE1 4.19Å; N109-F236 HydrophobicContact CB-CE2 3.63Å; N109-F236 HydrophobicContact CB-CG 4.26Å; N109-F236 HydrophobicContact CB-CZ 3.81Å
110	V	98.9	Very high	97.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	132.6	-177.8	-170.2	0	0	0	0	110.3	V108 W115 L139 R150 V151 V152 W193 M207	V108-V110 HydrophobicContact CG1-CG2 3.8Å; V110-W115 HydrophobicContact CB-CH2 3.99Å; V110-W115 HydrophobicContact CB-CZ2 4.09Å; V110-W115 HydrophobicContact CG1-CH2 3.76Å; V110-W115 HydrophobicContact CG1-CZ2 3.8Å; V110-L139 HydrophobicContact CG2-CD2 4.42Å; V110-R150 PolarHBondContact N-O 3.02Å; V110-V151 HydrophobicContact CB-CG1 4.14Å; V110-V151 HydrophobicContact CG2-CG1 4.46Å; V110-V151 CarbonylContact O-C 3.56Å; V110-V151 VanDerWaalsContact O-CA 3.28Å; V110-V151 WeakPolarHBondContact O-CA 3.45Å; V110-V152 PolarHBondContact O-N 2.83Å; V110-W193 HydrophobicContact CB-CD2 4.47Å; V110-W193 HydrophobicContact CG1-CD2 4.03Å; V110-W193 HydrophobicContact CG1-CG 4.2Å; V110-W193 HydrophobicContact CG1-CZ2 4.22Å; V110-W193 HydrophobicContact CG2-CD2 3.73Å; V110-W193 HydrophobicContact CG2-CE3 3.69Å; V110-W193 HydrophobicContact CG2-CG 4.26Å; V110-W193 HydrophobicContact CG2-CH2 4.4Å; V110-W193 HydrophobicContact CG2-CZ2 4.45Å; V110-W193 HydrophobicContact CG2-CZ3 4.03Å; V110-M207 HydrophobicContact CG1-CG 4.27Å; V110-M207 HydrophobicContact CG1-SD 3.88Å
111	V	98.9	Very high	97.6	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.006	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	133	174.9	-176.4	0	0	0	0	108.3	V152 L188 K191 F192 F236 Y239	V111-V152 HydrophobicContact CG1-CB 4.34Å; V111-V152 HydrophobicContact CG1-CG1 4.39Å; V111-V152 HydrophobicContact CG2-CB 4.13Å; V111-V152 HydrophobicContact CG2-CG2 4.42Å; V111-L188 HydrophobicContact CG1-CD1 4.04Å; V111-L188 HydrophobicContact CG1-CD2 3.39Å; V111-L188 HydrophobicContact CG1-CG 4.27Å; V111-K191 VanDerWaalsContact O-CA 3.26Å; V111-K191 WeakPolarHBondContact O-CA 3.32Å; V111-F192 HydrophobicContact CB-CD1 4.08Å; V111-F192 HydrophobicContact CB-CD2 4.38Å; V111-F192 HydrophobicContact CB-CE1 3.96Å; V111-F192 HydrophobicContact CB-CE2 4.22Å; V111-F192 HydrophobicContact CB-CG 4.31Å; V111-F192 HydrophobicContact CB-CZ 4.03Å; V111-F192 HydrophobicContact CG1-CE1 4.23Å; V111-F192 HydrophobicContact CG2-CD1 4.34Å; V111-F192 HydrophobicContact CG2-CD2 4.11Å; V111-F192 HydrophobicContact CG2-CE1 3.83Å; V111-F192 HydrophobicContact CG2-CE2 3.52Å; V111-F192 HydrophobicContact CG2-CG 4.48Å; V111-F192 HydrophobicContact CG2-CZ 3.39Å; V111-F192 PolarHBondContact N-O 2.99Å; V111-F192 PolarHBondContact O-N 3.12Å; V111-F192 VanDerWaalsContact O-N 3.09Å; V111-F236 HydrophobicContact CG2-CD2 3.51Å; V111-F236 HydrophobicContact CG2-CE2 3.95Å; V111-Y239 HydrophobicContact CG1-CD2 4Å; V111-Y239 HydrophobicContact CG1-CE2 4.1Å; V111-Y239 HydrophobicContact CG2-CD2 4.33Å
112	S	98.5	Very high	97.2	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.007	16%	0.157	C	C	.	.			trans	-152.8	153.8	174	177.1	0	0	0	0	110.7	Y114 V152 S153 S190 M207	S112-Y114 PolarHBondContact OG-O 2.88Å; S112-V152 PolarHBondContact N-O 3.04Å; S112-S153 WeakPolarHBondContact O-CA 3.18Å; S112-S190 WeakPolarHBondContact CA-O 3.5Å; S112-M207 PolarHBondContact OG-N 3.38Å
113	F	98.3	Very high	96.9	Very high	20 Å²	20	34.9 Å²	34.9	9%	0.088	17%	0.172	C	C	.	.	S	Bend	trans	-61.8	-45.9	176.8	176.5	-151.4	0	0	0	111.9	S154 T157 V158 V187 L188 H189 N206	F113-S154 PolarHBondContact O-N 3.34Å; F113-T157 PolarHBondContact O-OG1 3.46Å; F113-V158 HydrophobicContact CD1-CG2 4.33Å; F113-V158 HydrophobicContact CE1-CB 4.43Å; F113-V158 HydrophobicContact CE1-CG1 3.82Å; F113-V158 HydrophobicContact CE1-CG2 3.78Å; F113-V158 HydrophobicContact CZ-CG1 3.83Å; F113-V158 HydrophobicContact CZ-CG2 4.22Å; F113-V187 HydrophobicContact CD2-CB 4.2Å; F113-V187 HydrophobicContact CD2-CG2 4.33Å; F113-V187 HydrophobicContact CE2-CB 3.66Å; F113-V187 HydrophobicContact CE2-CG1 3.81Å; F113-V187 HydrophobicContact CE2-CG2 3.9Å; F113-V187 HydrophobicContact CZ-CB 4.32Å; F113-V187 HydrophobicContact CZ-CG1 4.21Å; F113-V187 HydrophobicContact CZ-CG2 4.2Å; F113-L188 VanDerWaalsContact CA-O 3.26Å; F113-L188 WeakPolarHBondContact CA-O 3.28Å; F113-L188 WeakPolarHBondContact CB-O 3.24Å; F113-L188 WeakPolarHBondContact CD2-O 3.32Å; F113-L188 WeakPolarHBondContact CG-O 3.39Å; F113-H189 AromaticContact CD1-CD2 3.56Å; F113-H189 AromaticContact CD1-NE2 3.99Å; F113-H189 AromaticContact CG-CD2 3.86Å; F113-N206 WeakPolarHBondContact CB-OD1 3.4Å
114	Y	98	Very high	96.6	Very high	34 Å²	34	29.7 Å²	29.7	13%	0.133	16%	0.155	C	C	.	.			trans	-146.1	171.4	177.5	64.7	-92	0	0	0	110.8	S112 T116 T157 V158 K159 N206 D208	S112-Y114 PolarHBondContact OG-O 2.88Å; Y114-T116 HydrophobicContact CD2-CG2 3.81Å; Y114-T116 HydrophobicContact CE2-CG2 3.58Å; Y114-T157 VanDerWaalsContact CB-OG1 3.28Å; Y114-T157 WeakPolarHBondContact CB-OG1 3.3Å; Y114-V158 HydrophobicContact CD1-CG2 3.26Å; Y114-V158 HydrophobicContact CD2-CG2 4.47Å; Y114-V158 HydrophobicContact CE1-CG2 3.58Å; Y114-V158 HydrophobicContact CG-CG2 3.76Å; Y114-K159 HydrophobicContact CD2-CB 4.3Å; Y114-K159 HydrophobicContact CD2-CG 3.67Å; Y114-K159 HydrophobicContact CE2-CG 4.16Å; Y114-K159 HydrophobicContact CG-CG 4.15Å; Y114-N206 HydrophobicContact CD1-CB 4.36Å; Y114-N206 HydrophobicContact CE1-CB 3.92Å; Y114-N206 VanDerWaalsContact CE1-CG 3.5Å; Y114-N206 WeakPolarHBondContact CE1-ND2 3.12Å; Y114-N206 HydrophobicContact CE2-CB 4.16Å; Y114-D208 HydrophobicContact CE2-CB 3.91Å; Y114-D208 WeakPolarHBondContact CE2-OD2 3.34Å; Y114-D208 PolarHBondContact OH-OD2 3Å; Y114-D208 VanDerWaalsContact OH-OD2 3.07Å
115	W	97.9	Very high	96.3	Very high	5 Å²	5	37.5 Å²	37.5	2%	0.019	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	132.8	-179.9	-66.4	70.4	0	0	0	108.3	V110 L117 L139 V151 S162 D164 L165 L168 M207	V110-W115 HydrophobicContact CB-CH2 3.99Å; V110-W115 HydrophobicContact CB-CZ2 4.09Å; V110-W115 HydrophobicContact CG1-CH2 3.76Å; V110-W115 HydrophobicContact CG1-CZ2 3.8Å; W115-L117 HydrophobicContact CE3-CD1 4.22Å; W115-L117 HydrophobicContact CZ3-CD1 4.32Å; W115-L139 HydrophobicContact CH2-CD1 4.28Å; W115-L139 HydrophobicContact CZ3-CD1 4.01Å; W115-V151 HydrophobicContact CH2-CB 3.94Å; W115-V151 HydrophobicContact CH2-CG1 3.61Å; W115-V151 HydrophobicContact CZ2-CB 3.62Å; W115-V151 HydrophobicContact CZ2-CG1 3.84Å; W115-V151 HydrophobicContact CZ2-CG2 4.4Å; W115-S162 WeakPolarHBondContact O-CB 3.17Å; W115-S162 PolarHBondContact O-OG 3.19Å; W115-D164 HydrophobicContact CB-CB 4.02Å; W115-L165 HydrophobicContact CB-CD2 4.34Å; W115-L165 HydrophobicContact CB-CG 4.13Å; W115-L165 HydrophobicContact CD2-CD2 3.71Å; W115-L165 HydrophobicContact CD2-CG 4.46Å; W115-L165 HydrophobicContact CE3-CD2 4.29Å; W115-L165 HydrophobicContact CG-CD1 4.42Å; W115-L165 HydrophobicContact CG-CD2 3.69Å; W115-L165 HydrophobicContact CG-CG 3.96Å; W115-L168 HydrophobicContact CE3-CD1 3.98Å; W115-L168 HydrophobicContact CH2-CD1 4.35Å; W115-L168 HydrophobicContact CZ3-CD1 3.67Å; W115-M207 CarbonylContact C-O 3.58Å; W115-M207 VanDerWaalsContact CA-O 3.28Å; W115-M207 WeakPolarHBondContact CA-O 3.06Å; W115-M207 HydrophobicContact CB-CB 4.45Å; W115-M207 HydrophobicContact CD2-CB 3.57Å; W115-M207 HydrophobicContact CD2-CG 3.76Å; W115-M207 HydrophobicContact CE3-CB 3.54Å; W115-M207 HydrophobicContact CE3-CE 4.23Å; W115-M207 HydrophobicContact CE3-CG 3.76Å; W115-M207 HydrophobicContact CG-CB 4.01Å; W115-M207 HydrophobicContact CH2-CB 4.39Å; W115-M207 HydrophobicContact CH2-CE 3.95Å; W115-M207 HydrophobicContact CH2-CG 3.66Å; W115-M207 HydrophobicContact CH2-SD 4.23Å; W115-M207 HydrophobicContact CZ2-CB 4.41Å; W115-M207 HydrophobicContact CZ2-CG 3.64Å; W115-M207 HydrophobicContact CZ3-CB 3.99Å; W115-M207 HydrophobicContact CZ3-CE 3.61Å; W115-M207 HydrophobicContact CZ3-CG 3.72Å; W115-M207 HydrophobicContact CZ3-SD 4.35Å
116	T	97.1	Very high	95.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.2	67.7	175.6	-172.3	0	0	0	0	109.4	Y114 T118 D121 K159 D164 M207 D208 W209	Y114-T116 HydrophobicContact CD2-CG2 3.81Å; Y114-T116 HydrophobicContact CE2-CG2 3.58Å; T116-T118 VanDerWaalsContact C-N 3.25Å; T116-T118 PolarHBondContact O-N 3.26Å; T116-D121 WeakPolarHBondContact OG1-CB 3.32Å; T116-K159 HydrophobicContact CG2-CG 4.3Å; T116-D164 VanDerWaalsContact CA-OD2 3.27Å; T116-D164 WeakPolarHBondContact CA-OD2 3.44Å; T116-D164 PolarHBondContact N-OD2 3Å; T116-M207 PolarHBondContact N-O 2.95Å; T116-D208 HydrophobicContact CG2-CB 3.89Å; T116-D208 VanDerWaalsContact CG2-CG 3.4Å; T116-D208 WeakPolarHBondContact CG2-OD2 3.47Å; T116-D208 WeakPolarHBondContact O-CA 3.25Å; T116-W209 PolarHBondContact O-N 2.88Å
117	L	97.7	Very high	95.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.183	C	C	.	.			trans	-84.1	-0.3	-178	-70.6	173.5	0	0	0	112.9	W115 G132 R133 I135 L136 D164 M207	W115-L117 HydrophobicContact CE3-CD1 4.22Å; W115-L117 HydrophobicContact CZ3-CD1 4.32Å; L117-G132 CarbonylContact O-C 3.25Å; L117-G132 WeakPolarHBondContact O-CA 3.4Å; L117-R133 PolarHBondContact O-N 3.31Å; L117-I135 HydrophobicContact CD1-CG2 4.23Å; L117-L136 HydrophobicContact CB-CB 4.03Å; L117-L136 HydrophobicContact CD1-CB 3.8Å; L117-L136 HydrophobicContact CD1-CD1 4.04Å; L117-D164 WeakPolarHBondContact CB-OD2 3.23Å; L117-D164 PolarHBondContact N-OD2 2.88Å; L117-M207 HydrophobicContact CD1-CE 3.75Å; L117-M207 HydrophobicContact CD2-CB 4.42Å; L117-M207 HydrophobicContact CD2-CE 4.19Å; L117-M207 HydrophobicContact CG-CB 4.41Å; L117-M207 HydrophobicContact CG-CE 4.44Å
118	T	96.3	Very high	95.4	Very high	12 Å²	12	33.6 Å²	33.6	7%	0.074	18%	0.184	C	C	.	.	S	Bend	trans	-122.3	146.4	178.5	62.9	0	0	0	0	111	T116 E120 D121 R133 L136 W209	T116-T118 VanDerWaalsContact C-N 3.25Å; T116-T118 PolarHBondContact O-N 3.26Å; T118-E120 VanDerWaalsContact C-N 3.32Å; T118-E120 WeakPolarHBondContact CB-OE2 3.38Å; T118-D121 PolarHBondContact OG1-OD2 2.92Å; T118-R133 HydrophobicContact CG2-CG 4.25Å; T118-L136 HydrophobicContact CG2-CD2 3.72Å; T118-W209 VanDerWaalsContact C-CD1 3.46Å; T118-W209 PolarHBondContact O-NE1 2.92Å
119	G	93.8	Very high	95.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.185	C	C	.	.	S	Bend	trans	-64.9	-34.6	175.3	0	0	0	0	0	112.8	D121 I122 N123 V124 D129	G119-D121 PolarHBondContact O-N 3.42Å; G119-I122 CarbonylContact O-C 3.49Å; G119-I122 WeakPolarHBondContact O-CG1 3.32Å; G119-I122 PolarHBondContact O-N 2.89Å; G119-N123 PolarHBondContact O-N 2.88Å; G119-V124 CarbonylContact C-O 3.51Å; G119-V124 WeakPolarHBondContact CA-O 3.49Å; G119-V124 PolarHBondContact O-N 2.87Å; G119-V124 VanDerWaalsContact O-O 3.13Å; G119-D129 VanDerWaalsContact CA-OD2 3.29Å; G119-D129 WeakPolarHBondContact CA-OD2 3.4Å; G119-D129 PolarHBondContact N-OD2 3.49Å
120	E	93.9	Very high	95.2	Very high	107 Å²	107	38.1 Å²	38.1	50%	0.5	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-61	-34.3	-179.9	-64.1	85.8	173.4	0	0	112.3	T118 I122 N123 R133	T118-E120 VanDerWaalsContact C-N 3.32Å; T118-E120 WeakPolarHBondContact CB-OE2 3.38Å; E120-I122 PolarHBondContact O-N 2.68Å; E120-N123 PolarHBondContact O-N 3.42Å; E120-R133 IonicContact OE1-CZ 2.7Å; E120-R133 IonicContact OE1-NH1 3.53Å; E120-R133 PolarHBondContact OE1-NH1 3.09Å; E120-R133 IonicContact OE1-NH2 3.08Å; E120-R133 PolarHBondContact OE1-NH2 3.16Å; E120-R133 IonicContact OE2-CZ 3.53Å; E120-R133 IonicContact OE2-NH1 3.66Å; E120-R133 PolarHBondContact OE2-NH1 2.92Å; E120-R133 IonicContact OE2-NH2 2.75Å; E120-R133 PolarHBondContact OE2-NH2 2.87Å
121	D	92.6	Very high	95.2	Very high	22 Å²	22	38.5 Å²	38.5	12%	0.118	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-59.6	-18.2	177.8	-82.7	-10.1	0	0	0	113.3	T116 T118 G119 S162 T163 D164	T116-D121 WeakPolarHBondContact OG1-CB 3.32Å; T118-D121 PolarHBondContact OG1-OD2 2.92Å; G119-D121 PolarHBondContact O-N 3.42Å; D121-S162 VanDerWaalsContact OD2-CB 3.24Å; D121-S162 WeakPolarHBondContact OD2-CB 3.47Å; D121-S162 PolarHBondContact OD2-OG 3.37Å; D121-T163 PolarHBondContact OD1-N 2.81Å; D121-T163 PolarHBondContact OD1-OG1 2.82Å; D121-T163 PolarHBondContact OD2-N 3Å; D121-D164 VanDerWaalsContact OD2-OD1 3.12Å
122	I	91.4	Very high	95.1	Very high	21 Å²	21	38.4 Å²	38.4	11%	0.108	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-123.9	17.2	175.4	61.8	167.3	0	0	0	113.2	G119 E120 V124 K159 W209	G119-I122 CarbonylContact O-C 3.49Å; G119-I122 WeakPolarHBondContact O-CG1 3.32Å; G119-I122 PolarHBondContact O-N 2.89Å; E120-I122 PolarHBondContact O-N 2.68Å; I122-V124 HydrophobicContact CD1-CB 4.18Å; I122-V124 HydrophobicContact CD1-CG2 3.73Å; I122-V124 HydrophobicContact CG1-CB 3.97Å; I122-V124 HydrophobicContact CG1-CG2 3.77Å; I122-V124 PolarHBondContact O-N 3.48Å; I122-K159 HydrophobicContact CG2-CD 4.23Å; I122-W209 HydrophobicContact CD1-CZ2 3.93Å
123	N	92.4	Very high	95.1	Very high	159 Å²	159	42 Å²	42	85%	0.85	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	34.9	-177.1	-55.1	-52.8	0	0	0	113.7	G119 E120	G119-N123 PolarHBondContact O-N 2.88Å; E120-N123 PolarHBondContact O-N 3.42Å
124	V	92.1	Very high	95.2	Very high	19 Å²	19	43.8 Å²	43.8	12%	0.115	23%	0.233	C	C	.	.			trans	-108.5	128.1	175.3	171.8	0	0	0	0	108.9	G119 I122 W209 I396	G119-V124 CarbonylContact C-O 3.51Å; G119-V124 WeakPolarHBondContact CA-O 3.49Å; G119-V124 PolarHBondContact O-N 2.87Å; G119-V124 VanDerWaalsContact O-O 3.13Å; I122-V124 HydrophobicContact CD1-CB 4.18Å; I122-V124 HydrophobicContact CD1-CG2 3.73Å; I122-V124 HydrophobicContact CG1-CB 3.97Å; I122-V124 HydrophobicContact CG1-CG2 3.77Å; I122-V124 PolarHBondContact O-N 3.48Å; V124-W209 HydrophobicContact CB-CZ2 4.32Å; V124-W209 HydrophobicContact CG1-CH2 4.25Å; V124-W209 HydrophobicContact CG1-CZ2 3.93Å; V124-I396 HydrophobicContact CG1-CG1 4.2Å
125	N	91.2	Very high	95.2	Very high	166 Å²	166	42.1 Å²	42.1	89%	0.888	23%	0.227	S	C	*	.			trans	-103.5	102.2	170.2	-174.3	3	0	0	0	108.9
126	S	89.9	Confident	95.2	Very high	23 Å²	23	42.7 Å²	42.7	16%	0.161	23%	0.23	C	C	.	.			trans	-147.7	133.4	-178.4	-177.2	0	0	0	0	110.2	T128 D129	S126-T128 PolarHBondContact O-N 2.85Å; S126-T128 VanDerWaalsContact O-N 3.11Å; S126-T128 PolarHBondContact OG-N 3Å; S126-T128 PolarHBondContact OG-OG1 3.21Å; S126-D129 PolarHBondContact O-N 3.42Å
127	S	93.1	Very high	95.3	Very high	91 Å²	91	48.2 Å²	48.2	64%	0.636	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-65.8	-9.6	172	57.2	0	0	0	0	113.3	D129 I130	S127-D129 PolarHBondContact O-N 3.24Å; S127-I130 VanDerWaalsContact O-CD1 3.25Å; S127-I130 WeakPolarHBondContact O-CD1 3.43Å; S127-I130 WeakPolarHBondContact O-CG1 3.43Å; S127-I130 PolarHBondContact O-N 3.02Å
128	T	93.9	Very high	95.4	Very high	25 Å²	25	49.4 Å²	49.4	15%	0.153	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-76.7	-2.3	177.3	67.9	0	0	0	0	113.2	L79 S126 W209 T213 Q214	L79-T128 HydrophobicContact CD1-CG2 3.45Å; L79-T128 VanDerWaalsContact CD1-CG2 3.45Å; S126-T128 PolarHBondContact O-N 2.85Å; S126-T128 VanDerWaalsContact O-N 3.11Å; S126-T128 PolarHBondContact OG-N 3Å; S126-T128 PolarHBondContact OG-OG1 3.21Å; T128-W209 VanDerWaalsContact OG1-CZ3 3.23Å; T128-W209 WeakPolarHBondContact OG1-CZ3 3.43Å; T128-T213 VanDerWaalsContact O-CG2 3.28Å; T128-T213 WeakPolarHBondContact O-CG2 3.44Å; T128-T213 PolarHBondContact O-OG1 2.94Å; T128-Q214 PolarHBondContact OG1-NE2 3.48Å; T128-Q214 VanDerWaalsContact OG1-NE2 3.08Å
129	D	96.4	Very high	95.5	Very high	4 Å²	4	48.9 Å²	48.9	2%	0.021	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-89.5	-7.1	172.7	77.2	-3	0	0	0	114.1	G119 S126 S127 A131 G132 R133 W209	G119-D129 VanDerWaalsContact CA-OD2 3.29Å; G119-D129 WeakPolarHBondContact CA-OD2 3.4Å; G119-D129 PolarHBondContact N-OD2 3.49Å; S126-D129 PolarHBondContact O-N 3.42Å; S127-D129 PolarHBondContact O-N 3.24Å; D129-A131 VanDerWaalsContact C-N 3.26Å; D129-A131 PolarHBondContact O-N 3.06Å; D129-G132 WeakPolarHBondContact O-CA 3.37Å; D129-G132 PolarHBondContact O-N 3.34Å; D129-R133 PolarHBondContact O-N 3.08Å; D129-R133 IonicContact OD1-CZ 2.6Å; D129-R133 IonicContact OD1-NE 3.36Å; D129-R133 PolarHBondContact OD1-NE 2.89Å; D129-R133 IonicContact OD1-NH2 3.65Å; D129-R133 IonicContact OD2-CZ 3.49Å; D129-R133 IonicContact OD2-NE 3.16Å; D129-R133 PolarHBondContact OD2-NE 3.49Å; D129-R133 IonicContact OD2-NH2 3.63Å; D129-R133 PolarHBondContact OD2-NH2 2.85Å; D129-W209 HydrophobicContact CB-CB 4.15Å; D129-W209 HydrophobicContact CB-CD2 3.63Å; D129-W209 HydrophobicContact CB-CE3 3.9Å; D129-W209 HydrophobicContact CB-CG 3.77Å; D129-W209 HydrophobicContact CB-CZ3 4.49Å
130	I	97.7	Very high	95.7	Very high	91 Å²	91	49.2 Å²	49.2	47%	0.467	27%	0.266	S	S	.	.	H	α-helix	trans	-53.7	-43.7	-177.2	-70.3	168.7	0	0	0	111.1	S127 G132 R133 D134	S127-I130 VanDerWaalsContact O-CD1 3.25Å; S127-I130 WeakPolarHBondContact O-CD1 3.43Å; S127-I130 WeakPolarHBondContact O-CG1 3.43Å; S127-I130 PolarHBondContact O-N 3.02Å; I130-G132 VanDerWaalsContact C-N 3.27Å; I130-G132 PolarHBondContact O-N 3.08Å; I130-R133 WeakPolarHBondContact O-CB 3.47Å; I130-R133 PolarHBondContact O-N 3.35Å; I130-R133 VanDerWaalsContact O-N 3.15Å; I130-D134 PolarHBondContact O-N 3.09Å
131	A	97.8	Very high	95.9	Very high	7 Å²	7	48.5 Å²	48.5	6%	0.058	26%	0.262	C	S	.	.	H	α-helix	trans	-57.5	-39.2	176.1	0	0	0	0	0	112.5	E94 D129 I135 L212 T213	E94-A131 VanDerWaalsContact CD-CB 3.42Å; E94-A131 HydrophobicContact CG-CB 4.01Å; E94-A131 WeakPolarHBondContact OE2-CB 3.42Å; D129-A131 VanDerWaalsContact C-N 3.26Å; D129-A131 PolarHBondContact O-N 3.06Å; A131-I135 VanDerWaalsContact O-CG1 3.31Å; A131-I135 WeakPolarHBondContact O-CG1 3.38Å; A131-I135 PolarHBondContact O-N 2.82Å; A131-L212 HydrophobicContact CB-CB 4.18Å; A131-L212 HydrophobicContact CB-CD1 3.93Å; A131-T213 HydrophobicContact CB-CG2 4.27Å
132	G	98.3	Very high	96.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-67.6	-44.5	175.8	0	0	0	0	0	112	L117 D129 I130 D134 I135 L136	L117-G132 CarbonylContact O-C 3.25Å; L117-G132 WeakPolarHBondContact O-CA 3.4Å; D129-G132 WeakPolarHBondContact O-CA 3.37Å; D129-G132 PolarHBondContact O-N 3.34Å; I130-G132 VanDerWaalsContact C-N 3.27Å; I130-G132 PolarHBondContact O-N 3.08Å; G132-D134 VanDerWaalsContact C-N 3.34Å; G132-D134 PolarHBondContact O-N 3.16Å; G132-I135 PolarHBondContact O-N 3.34Å; G132-L136 PolarHBondContact O-N 2.82Å
133	R	98.3	Very high	96.6	Very high	76 Å²	76	48 Å²	48	29%	0.287	26%	0.262	S	S	.	.	H	α-helix	trans	-59.4	-44.5	176.7	-64.5	178.2	-172.1	-88.1	5.4	112	L117 T118 E120 D129 I130 I135 L136 Q137	L117-R133 PolarHBondContact O-N 3.31Å; T118-R133 HydrophobicContact CG2-CG 4.25Å; E120-R133 IonicContact OE1-CZ 2.7Å; E120-R133 IonicContact OE1-NH1 3.53Å; E120-R133 PolarHBondContact OE1-NH1 3.09Å; E120-R133 IonicContact OE1-NH2 3.08Å; E120-R133 PolarHBondContact OE1-NH2 3.16Å; E120-R133 IonicContact OE2-CZ 3.53Å; E120-R133 IonicContact OE2-NH1 3.66Å; E120-R133 PolarHBondContact OE2-NH1 2.92Å; E120-R133 IonicContact OE2-NH2 2.75Å; E120-R133 PolarHBondContact OE2-NH2 2.87Å; D129-R133 PolarHBondContact O-N 3.08Å; D129-R133 IonicContact OD1-CZ 2.6Å; D129-R133 IonicContact OD1-NE 3.36Å; D129-R133 PolarHBondContact OD1-NE 2.89Å; D129-R133 IonicContact OD1-NH2 3.65Å; D129-R133 IonicContact OD2-CZ 3.49Å; D129-R133 IonicContact OD2-NE 3.16Å; D129-R133 PolarHBondContact OD2-NE 3.49Å; D129-R133 IonicContact OD2-NH2 3.63Å; D129-R133 PolarHBondContact OD2-NH2 2.85Å; I130-R133 WeakPolarHBondContact O-CB 3.47Å; I130-R133 PolarHBondContact O-N 3.35Å; I130-R133 VanDerWaalsContact O-N 3.15Å; R133-I135 VanDerWaalsContact C-N 3.31Å; R133-I135 PolarHBondContact O-N 2.92Å; R133-L136 PolarHBondContact O-N 3.12Å; R133-Q137 WeakPolarHBondContact O-CB 3.31Å; R133-Q137 PolarHBondContact O-N 3.19Å
134	D	98.6	Very high	96.8	Very high	57 Å²	57	45.5 Å²	45.5	31%	0.305	26%	0.257	S	S	.	.	H	α-helix	trans	-58.1	-44.6	176.8	-77.3	3	0	0	0	111.3	K98 I130 G132 Q137 A138	K98-D134 IonicContact NZ-OD2 3.9Å; K98-D134 PolarHBondContact NZ-OD2 2.74Å; I130-D134 PolarHBondContact O-N 3.09Å; G132-D134 VanDerWaalsContact C-N 3.34Å; G132-D134 PolarHBondContact O-N 3.16Å; D134-Q137 PolarHBondContact O-N 3.38Å; D134-A138 VanDerWaalsContact O-CB 3.22Å; D134-A138 WeakPolarHBondContact O-CB 3.22Å; D134-A138 PolarHBondContact O-N 3.03Å
135	I	98.8	Very high	97.1	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-66	-43.7	177.9	-66.8	-65.1	0	0	0	111.3	W97 K98 I101 L117 A131 G132 R133 Q137 A138 L139 W193 M207 L212	W97-I135 HydrophobicContact CB-CD1 3.73Å; W97-I135 HydrophobicContact CE3-CD1 4.4Å; W97-I135 HydrophobicContact CE3-CG1 4.18Å; W97-I135 HydrophobicContact CE3-CG2 4.02Å; W97-I135 HydrophobicContact CZ3-CG2 4.5Å; K98-I135 HydrophobicContact CG-CD1 3.81Å; I101-I135 HydrophobicContact CD1-CD1 4.06Å; I101-I135 HydrophobicContact CD1-CG2 4.5Å; L117-I135 HydrophobicContact CD1-CG2 4.23Å; A131-I135 VanDerWaalsContact O-CG1 3.31Å; A131-I135 WeakPolarHBondContact O-CG1 3.38Å; A131-I135 PolarHBondContact O-N 2.82Å; G132-I135 PolarHBondContact O-N 3.34Å; R133-I135 VanDerWaalsContact C-N 3.31Å; R133-I135 PolarHBondContact O-N 2.92Å; I135-Q137 VanDerWaalsContact C-N 3.35Å; I135-A138 PolarHBondContact O-N 3Å; I135-L139 HydrophobicContact CG2-CD1 4.17Å; I135-L139 WeakPolarHBondContact O-CB 3.46Å; I135-L139 WeakPolarHBondContact O-CG 3.39Å; I135-L139 PolarHBondContact O-N 2.53Å; I135-W193 HydrophobicContact CG2-CH2 4.27Å; I135-M207 HydrophobicContact CG2-CE 3.94Å; I135-L212 HydrophobicContact CG1-CD1 4.29Å
136	L	98.8	Very high	97.4	Very high	16 Å²	16	50.6 Å²	50.6	8%	0.084	27%	0.273	C	S	.	.	H	α-helix	trans	-60.1	-46.3	176.8	-178.7	68.2	0	0	0	111	L117 T118 G132 R133 G140 D164 L168	L117-L136 HydrophobicContact CB-CB 4.03Å; L117-L136 HydrophobicContact CD1-CB 3.8Å; L117-L136 HydrophobicContact CD1-CD1 4.04Å; T118-L136 HydrophobicContact CG2-CD2 3.72Å; G132-L136 PolarHBondContact O-N 2.82Å; R133-L136 PolarHBondContact O-N 3.12Å; L136-G140 PolarHBondContact O-N 2.7Å; L136-D164 HydrophobicContact CD1-CB 3.97Å; L136-L168 HydrophobicContact CD1-CD1 4.03Å; L136-L168 HydrophobicContact CD1-CD2 3.85Å; L136-L168 HydrophobicContact CD1-CG 3.71Å
137	Q	98.6	Very high	97.8	Very high	116 Å²	116	49.8 Å²	49.8	54%	0.542	27%	0.267	S	S	.	.	H	α-helix	trans	-61.7	-50.9	177.2	178.2	176.7	-13.6	0	0	110.9	R133 D134 I135 L139 G140 E141	R133-Q137 WeakPolarHBondContact O-CB 3.31Å; R133-Q137 PolarHBondContact O-N 3.19Å; D134-Q137 PolarHBondContact O-N 3.38Å; I135-Q137 VanDerWaalsContact C-N 3.35Å; Q137-L139 VanDerWaalsContact C-N 3.31Å; Q137-L139 PolarHBondContact O-N 3.35Å; Q137-G140 CarbonylContact O-C 3.47Å; Q137-G140 WeakPolarHBondContact O-CA 3.45Å; Q137-G140 PolarHBondContact O-N 3.16Å; Q137-E141 HydrophobicContact CG-CG 4.4Å; Q137-E141 VanDerWaalsContact CG-OE1 3.31Å; Q137-E141 WeakPolarHBondContact CG-OE1 3.37Å; Q137-E141 PolarHBondContact NE2-OE1 2.92Å; Q137-E141 WeakPolarHBondContact O-CG 3.48Å; Q137-E141 PolarHBondContact O-N 3.48Å
138	A	98.7	Very high	98.1	Very high	26 Å²	26	47.6 Å²	47.6	22%	0.215	25%	0.252	C	S	.	.	H	α-helix	trans	-61.1	-39.7	-177.2	0	0	0	0	0	112	I101 D134 I135 E141 L142	I101-A138 HydrophobicContact CD1-CB 4.05Å; I101-A138 HydrophobicContact CG2-CB 4.04Å; D134-A138 VanDerWaalsContact O-CB 3.22Å; D134-A138 WeakPolarHBondContact O-CB 3.22Å; D134-A138 PolarHBondContact O-N 3.03Å; I135-A138 PolarHBondContact O-N 3Å; A138-E141 PolarHBondContact O-N 2.7Å; A138-L142 PolarHBondContact O-N 3.49Å
139	L	98.8	Very high	98.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-62.9	-41.7	172.1	-77.9	172.3	0	0	0	112.5	I101 V108 V110 W115 I135 Q137 E141 L142 V149 L168 W193 M207	I101-L139 HydrophobicContact CD1-CD2 4.34Å; I101-L139 HydrophobicContact CD1-CG 4.18Å; I101-L139 HydrophobicContact CG1-CD2 4.36Å; V108-L139 HydrophobicContact CG1-CD2 4.23Å; V110-L139 HydrophobicContact CG2-CD2 4.42Å; W115-L139 HydrophobicContact CH2-CD1 4.28Å; W115-L139 HydrophobicContact CZ3-CD1 4.01Å; I135-L139 HydrophobicContact CG2-CD1 4.17Å; I135-L139 WeakPolarHBondContact O-CB 3.46Å; I135-L139 WeakPolarHBondContact O-CG 3.39Å; I135-L139 PolarHBondContact O-N 2.53Å; Q137-L139 VanDerWaalsContact C-N 3.31Å; Q137-L139 PolarHBondContact O-N 3.35Å; L139-E141 VanDerWaalsContact C-N 3.27Å; L139-E141 PolarHBondContact O-N 3.21Å; L139-L142 HydrophobicContact CD2-CD1 4.23Å; L139-L142 PolarHBondContact O-N 2.86Å; L139-V149 HydrophobicContact CD2-CG1 4.48Å; L139-L168 HydrophobicContact CB-CD2 3.95Å; L139-W193 HydrophobicContact CD1-CH2 3.95Å; L139-W193 HydrophobicContact CD2-CH2 4Å; L139-W193 HydrophobicContact CD2-CZ3 3.79Å; L139-W193 HydrophobicContact CG-CH2 4.22Å; L139-W193 HydrophobicContact CG-CZ3 4.48Å; L139-M207 HydrophobicContact CD1-CE 3.97Å
140	G	98.6	Very high	98.5	Very high	7 Å²	7	47.2 Å²	47.2	7%	0.072	25%	0.247	C	C	.	.	H	α-helix	trans	-69.4	-19.8	177.8	0	0	0	0	0	114.2	L136 Q137 P143 K171	L136-G140 PolarHBondContact O-N 2.7Å; Q137-G140 CarbonylContact O-C 3.47Å; Q137-G140 WeakPolarHBondContact O-CA 3.45Å; Q137-G140 PolarHBondContact O-N 3.16Å; G140-P143 WeakPolarHBondContact O-CD 3.43Å; G140-K171 WeakPolarHBondContact O-CB 3.29Å
141	E	98.6	Very high	98.5	Very high	92 Å²	92	42.9 Å²	42.9	43%	0.43	23%	0.225	S	C	.	.	H	α-helix	trans	-85.2	-23	178.3	-74	174.1	179.6	0	0	113.2	Q137 A138 L139 S144	Q137-E141 HydrophobicContact CG-CG 4.4Å; Q137-E141 VanDerWaalsContact CG-OE1 3.31Å; Q137-E141 WeakPolarHBondContact CG-OE1 3.37Å; Q137-E141 PolarHBondContact NE2-OE1 2.92Å; Q137-E141 WeakPolarHBondContact O-CG 3.48Å; Q137-E141 PolarHBondContact O-N 3.48Å; A138-E141 PolarHBondContact O-N 2.7Å; L139-E141 VanDerWaalsContact C-N 3.27Å; L139-E141 PolarHBondContact O-N 3.21Å; E141-S144 WeakPolarHBondContact O-CB 3.44Å; E141-S144 PolarHBondContact O-N 3.28Å; E141-S144 VanDerWaalsContact O-N 3.08Å; E141-S144 PolarHBondContact O-OG 3.27Å
142	L	98.8	Very high	98.6	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-55.4	-42.2	-178.4	-71	176.1	0	0	0	114.5	I101 A104 V108 A138 L139 S144 R145 I147 V149	I101-L142 HydrophobicContact CG2-CD1 4.31Å; I101-L142 HydrophobicContact CG2-CD2 4.1Å; I101-L142 HydrophobicContact CG2-CG 4.34Å; A104-L142 HydrophobicContact CB-CD2 4.29Å; V108-L142 HydrophobicContact CB-CD1 4.19Å; V108-L142 HydrophobicContact CG2-CD1 3.64Å; A138-L142 PolarHBondContact O-N 3.49Å; L139-L142 HydrophobicContact CD2-CD1 4.23Å; L139-L142 PolarHBondContact O-N 2.86Å; L142-S144 PolarHBondContact O-N 3.46Å; L142-R145 CarbonylContact O-C 3.56Å; L142-R145 WeakPolarHBondContact O-CA 3.38Å; L142-R145 WeakPolarHBondContact O-CB 3.4Å; L142-R145 PolarHBondContact O-N 3.41Å; L142-I147 HydrophobicContact CB-CB 4.11Å; L142-I147 HydrophobicContact CB-CG2 4.23Å; L142-I147 HydrophobicContact CD1-CG2 4.49Å; L142-I147 HydrophobicContact CD2-CB 4.46Å; L142-I147 HydrophobicContact CD2-CD1 3.65Å; L142-I147 HydrophobicContact CD2-CG2 4.37Å; L142-I147 WeakPolarHBondContact O-CB 3.4Å; L142-I147 PolarHBondContact O-N 2.81Å; L142-V149 HydrophobicContact CB-CG2 3.51Å; L142-V149 HydrophobicContact CD1-CG2 3.75Å; L142-V149 HydrophobicContact CG-CG2 4.3Å
143	P	98.6	Very high	98.5	Very high	32 Å²	32	42.7 Å²	42.7	21%	0.208	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-59.3	-32	176.8	-27.1	37.8	0	0	0	113.7	G140 R145 N146 V149 K171 V173	G140-P143 WeakPolarHBondContact O-CD 3.43Å; P143-R145 PolarHBondContact O-N 3.25Å; P143-N146 PolarHBondContact O-N 3.4Å; P143-V149 HydrophobicContact CG-CG2 4.23Å; P143-K171 WeakPolarHBondContact CB-O 3.38Å; P143-K171 WeakPolarHBondContact CG-O 3.24Å; P143-V173 HydrophobicContact CG-CG2 3.98Å
144	S	98	Very high	98.5	Very high	107 Å²	107	39 Å²	39	75%	0.748	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-67.1	-20.8	176	76.3	0	0	0	0	113.1	E141 L142 N146	E141-S144 WeakPolarHBondContact O-CB 3.44Å; E141-S144 PolarHBondContact O-N 3.28Å; E141-S144 VanDerWaalsContact O-N 3.08Å; E141-S144 PolarHBondContact O-OG 3.27Å; L142-S144 PolarHBondContact O-N 3.46Å; S144-N146 VanDerWaalsContact C-N 3.31Å
145	R	97.4	Very high	98.4	Very high	140 Å²	140	39 Å²	39	53%	0.528	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-93.1	13.5	173.1	-63.3	172.2	55.1	-165.1	-7.8	112.5	L142 P143 I147	L142-R145 CarbonylContact O-C 3.56Å; L142-R145 WeakPolarHBondContact O-CA 3.38Å; L142-R145 WeakPolarHBondContact O-CB 3.4Å; L142-R145 PolarHBondContact O-N 3.41Å; P143-R145 PolarHBondContact O-N 3.25Å; R145-I147 HydrophobicContact CB-CD1 4.04Å; R145-I147 HydrophobicContact CB-CG1 4.31Å; R145-I147 PolarHBondContact O-N 3.24Å
146	N	98.3	Very high	98.2	Very high	151 Å²	151	42.3 Å²	42.3	81%	0.807	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.6	28.5	-176.8	-159.8	44	0	0	0	114	P143 S144	P143-N146 PolarHBondContact O-N 3.4Å; S144-N146 VanDerWaalsContact C-N 3.31Å
147	I	98.8	Very high	98	Very high	6 Å²	6	43.1 Å²	43.1	3%	0.031	24%	0.238	C	C	.	.			trans	-96.9	125.3	175.7	-63.3	166.3	0	0	0	108.3	A104 V108 L142 R145 V149	A104-I147 HydrophobicContact CB-CD1 4.27Å; A104-I147 HydrophobicContact CB-CG2 4.2Å; A104-I147 WeakPolarHBondContact O-CD1 3.35Å; V108-I147 HydrophobicContact CG2-CG2 4.29Å; L142-I147 HydrophobicContact CB-CB 4.11Å; L142-I147 HydrophobicContact CB-CG2 4.23Å; L142-I147 HydrophobicContact CD1-CG2 4.49Å; L142-I147 HydrophobicContact CD2-CB 4.46Å; L142-I147 HydrophobicContact CD2-CD1 3.65Å; L142-I147 HydrophobicContact CD2-CG2 4.37Å; L142-I147 WeakPolarHBondContact O-CB 3.4Å; L142-I147 PolarHBondContact O-N 2.81Å; R145-I147 HydrophobicContact CB-CD1 4.04Å; R145-I147 HydrophobicContact CB-CG1 4.31Å; R145-I147 PolarHBondContact O-N 3.24Å; I147-V149 PolarHBondContact O-N 3.35Å
148	S	98.8	Very high	97.4	Very high	46 Å²	46	41.8 Å²	41.8	32%	0.322	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	117.8	-179.6	-179.1	0	0	0	0	111.1	H106 S107 V108	H106-S148 PolarHBondContact O-N 3.16Å; S107-S148 CarbonylContact C-O 3.53Å; S107-S148 WeakPolarHBondContact CA-O 3.2Å; V108-S148 PolarHBondContact N-O 3.4Å
149	V	98.9	Very high	96.8	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.012	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	126.2	177.4	-168.8	0	0	0	0	110.3	V108 L139 L142 P143 I147 V151 V173 Q174	V108-V149 HydrophobicContact CB-CG1 4.37Å; V108-V149 HydrophobicContact CB-CG2 4.48Å; V108-V149 CarbonylContact O-C 3.5Å; V108-V149 VanDerWaalsContact O-CA 3.32Å; V108-V149 WeakPolarHBondContact O-CA 3.19Å; L139-V149 HydrophobicContact CD2-CG1 4.48Å; L142-V149 HydrophobicContact CB-CG2 3.51Å; L142-V149 HydrophobicContact CD1-CG2 3.75Å; L142-V149 HydrophobicContact CG-CG2 4.3Å; P143-V149 HydrophobicContact CG-CG2 4.23Å; I147-V149 PolarHBondContact O-N 3.35Å; V149-V151 HydrophobicContact CG1-CG1 4.2Å; V149-V173 HydrophobicContact CB-CB 4.33Å; V149-V173 HydrophobicContact CB-CG1 3.91Å; V149-V173 HydrophobicContact CB-CG2 3.96Å; V149-V173 HydrophobicContact CG1-CB 4.45Å; V149-V173 HydrophobicContact CG1-CG1 3.66Å; V149-V173 HydrophobicContact CG1-CG2 4.1Å; V149-Q174 PolarHBondContact O-N 2.93Å
150	R	98.9	Very high	95.9	Very high	18 Å²	18	47.2 Å²	47.2	7%	0.068	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	128.8	174.2	-67.1	-175	-71.7	-159.6	-6.1	110.2	V108 N109 V110 Q174 Y233 F236 W240	V108-R150 PolarHBondContact O-N 2.96Å; N109-R150 CarbonylContact C-O 3.56Å; N109-R150 VanDerWaalsContact CA-O 3.27Å; N109-R150 WeakPolarHBondContact CA-O 3.43Å; N109-R150 VanDerWaalsContact OD1-CZ 3.3Å; N109-R150 PolarHBondContact OD1-NE 3.39Å; N109-R150 PolarHBondContact OD1-NH2 3.46Å; V110-R150 PolarHBondContact N-O 3.02Å; R150-Q174 CarbonylContact C-O 3.54Å; R150-Q174 WeakPolarHBondContact CA-O 3.32Å; R150-Q174 HydrophobicContact CG-CB 4.03Å; R150-Q174 HydrophobicContact CG-CG 4.46Å; R150-Y233 PolarHBondContact NH1-OH 2.67Å; R150-Y233 PolarHBondContact NH2-OH 3.02Å; R150-F236 HydrophobicContact CB-CZ 3.79Å; R150-W240 HydrophobicContact CB-CE3 4.35Å; R150-W240 HydrophobicContact CB-CH2 3.79Å; R150-W240 HydrophobicContact CB-CZ2 4.47Å; R150-W240 HydrophobicContact CB-CZ3 3.71Å; R150-W240 HydrophobicContact CG-CH2 3.7Å; R150-W240 HydrophobicContact CG-CZ2 3.98Å; R150-W240 HydrophobicContact CG-CZ3 4.13Å
151	V	98.8	Very high	95.2	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	140.4	179.1	-55.6	0	0	0	0	111.4	V110 W115 V149 L165 V173 Q174 V175 R176	V110-V151 HydrophobicContact CB-CG1 4.14Å; V110-V151 HydrophobicContact CG2-CG1 4.46Å; V110-V151 CarbonylContact O-C 3.56Å; V110-V151 VanDerWaalsContact O-CA 3.28Å; V110-V151 WeakPolarHBondContact O-CA 3.45Å; W115-V151 HydrophobicContact CH2-CB 3.94Å; W115-V151 HydrophobicContact CH2-CG1 3.61Å; W115-V151 HydrophobicContact CZ2-CB 3.62Å; W115-V151 HydrophobicContact CZ2-CG1 3.84Å; W115-V151 HydrophobicContact CZ2-CG2 4.4Å; V149-V151 HydrophobicContact CG1-CG1 4.2Å; V151-L165 HydrophobicContact CG2-CD2 3.73Å; V151-V173 HydrophobicContact CB-CG1 4.48Å; V151-V173 HydrophobicContact CG1-CG1 3.81Å; V151-V173 HydrophobicContact CG2-CG1 3.96Å; V151-Q174 PolarHBondContact N-O 2.99Å; V151-V175 HydrophobicContact CG2-CB 4.11Å; V151-V175 HydrophobicContact CG2-CG1 4.2Å; V151-V175 HydrophobicContact CG2-CG2 3.64Å; V151-R176 PolarHBondContact O-N 3.45Å
152	V	98.6	Very high	95	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	137.8	-178.7	177.8	0	0	0	0	110.1	V110 V111 S112 R176 V178 L188 F236 W240	V110-V152 PolarHBondContact O-N 2.83Å; V111-V152 HydrophobicContact CG1-CB 4.34Å; V111-V152 HydrophobicContact CG1-CG1 4.39Å; V111-V152 HydrophobicContact CG2-CB 4.13Å; V111-V152 HydrophobicContact CG2-CG2 4.42Å; S112-V152 PolarHBondContact N-O 3.04Å; V152-R176 CarbonylContact C-O 3.48Å; V152-R176 VanDerWaalsContact CA-O 3.29Å; V152-R176 WeakPolarHBondContact CA-O 3.17Å; V152-R176 HydrophobicContact CG2-CB 4.31Å; V152-V178 HydrophobicContact CG1-CG2 3.73Å; V152-L188 HydrophobicContact CG1-CD1 3.64Å; V152-F236 HydrophobicContact CG2-CD2 4.36Å; V152-F236 HydrophobicContact CG2-CE2 3.6Å; V152-F236 HydrophobicContact CG2-CZ 4.04Å; V152-W240 HydrophobicContact CG2-CE3 3.78Å; V152-W240 HydrophobicContact CG2-CZ3 4.2Å
153	S	97.9	Very high	94.8	Very high	3 Å²	3	53 Å²	53	2%	0.021	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	163.5	170.4	82	0	0	0	0	113.4	S112 R176 R177 V178	S112-S153 WeakPolarHBondContact O-CA 3.18Å; S153-R176 PolarHBondContact N-O 3.08Å; S153-R177 WeakPolarHBondContact O-CA 3.33Å; S153-V178 PolarHBondContact O-N 3.17Å
154	S	98.1	Very high	94.8	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	153.1	-179.5	-169.9	0	0	0	0	113.7	F113 P156 T157 V187 L188	F113-S154 PolarHBondContact O-N 3.34Å; S154-P156 CarbonylContact C-O 3.53Å; S154-P156 VanDerWaalsContact CB-O 3.23Å; S154-P156 WeakPolarHBondContact CB-O 3.46Å; S154-P156 PolarHBondContact OG-O 2.8Å; S154-T157 WeakPolarHBondContact O-CB 3.28Å; S154-V187 WeakPolarHBondContact OG-CB 3.39Å; S154-L188 PolarHBondContact OG-N 3.14Å
155	V	96.4	Very high	94.8	Very high	55 Å²	55	47 Å²	47	33%	0.333	26%	0.259	S	S	.	.	S	Bend	trans	-132.1	118.5	156.3	175.6	0	0	0	0	107.7	R177 V178 E179 F180 G181	V155-R177 HydrophobicContact CG2-CB 3.9Å; V155-V178 PolarHBondContact N-O 3.45Å; V155-E179 HydrophobicContact CB-CG 4.45Å; V155-E179 HydrophobicContact CG1-CG 4.44Å; V155-E179 CarbonylContact O-C 3.22Å; V155-E179 WeakPolarHBondContact O-CA 3.29Å; V155-F180 PolarHBondContact O-N 2.97Å; V155-G181 PolarHBondContact O-N 3.02Å
156	P	95.2	Very high	94.8	Very high	70 Å²	70	46.9 Å²	46.9	46%	0.455	26%	0.262	S	S	.	.	S	Bend	cis	-70.9	165.6	2.2	29.8	-33.2	0	0	0	112.7	S154 V187	S154-P156 CarbonylContact C-O 3.53Å; S154-P156 VanDerWaalsContact CB-O 3.23Å; S154-P156 WeakPolarHBondContact CB-O 3.46Å; S154-P156 PolarHBondContact OG-O 2.8Å; P156-V187 HydrophobicContact CG-CG1 3.88Å
157	T	93.1	Very high	94.8	Very high	33 Å²	33	42.3 Å²	42.3	20%	0.202	24%	0.239	C	C	.	.			trans	-142.5	158	178.7	-170.8	0	0	0	0	110.3	F113 Y114 S154 T160	F113-T157 PolarHBondContact O-OG1 3.46Å; Y114-T157 VanDerWaalsContact CB-OG1 3.28Å; Y114-T157 WeakPolarHBondContact CB-OG1 3.3Å; S154-T157 WeakPolarHBondContact O-CB 3.28Å; T157-T160 HydrophobicContact CG2-CG2 4.3Å
158	V	86.7	Confident	94.8	Very high	88 Å²	88	42 Å²	42	53%	0.533	24%	0.238	S	C	.	.	S	Bend	trans	-83.5	-14.3	179.5	-69.1	0	0	0	0	113.8	F113 Y114	F113-V158 HydrophobicContact CD1-CG2 4.33Å; F113-V158 HydrophobicContact CE1-CB 4.43Å; F113-V158 HydrophobicContact CE1-CG1 3.82Å; F113-V158 HydrophobicContact CE1-CG2 3.78Å; F113-V158 HydrophobicContact CZ-CG1 3.83Å; F113-V158 HydrophobicContact CZ-CG2 4.22Å; Y114-V158 HydrophobicContact CD1-CG2 3.26Å; Y114-V158 HydrophobicContact CD2-CG2 4.47Å; Y114-V158 HydrophobicContact CE1-CG2 3.58Å; Y114-V158 HydrophobicContact CG-CG2 3.76Å
159	K	85.3	Confident	94.7	Very high	42 Å²	42	46.8 Å²	46.8	18%	0.183	25%	0.253	C	S	.	.			trans	-123.7	84.6	178.9	-61.5	-61.9	175.5	-176.4	0	110.6	Y114 T116 I122	Y114-K159 HydrophobicContact CD2-CB 4.3Å; Y114-K159 HydrophobicContact CD2-CG 3.67Å; Y114-K159 HydrophobicContact CE2-CG 4.16Å; Y114-K159 HydrophobicContact CG-CG 4.15Å; T116-K159 HydrophobicContact CG2-CG 4.3Å; I122-K159 HydrophobicContact CG2-CD 4.23Å
160	T	79.5	Confident	94.7	Very high	98 Å²	98	53.1 Å²	53.1	60%	0.601	28%	0.282	S	S	*	.	S	Bend	trans	-76.2	-24.4	-178.5	55	0	0	0	0	113.5	T157	T157-T160 HydrophobicContact CG2-CG2 4.3Å
161	N	85.6	Confident	94.7	Very high	139 Å²	139	58.4 Å²	58.4	74%	0.743	31%	0.306	S	S	*	.	S	Bend	trans	-104.2	2.5	-170.5	-61.1	-7.4	0	0	0	114.2
162	S	93.1	Very high	94.7	Very high	16 Å²	16	60.8 Å²	60.8	11%	0.112	33%	0.33	C	S	.	.			trans	-61.8	140.1	176.4	163.8	0	0	0	0	111.4	W115 D121 D164	W115-S162 WeakPolarHBondContact O-CB 3.17Å; W115-S162 PolarHBondContact O-OG 3.19Å; D121-S162 VanDerWaalsContact OD2-CB 3.24Å; D121-S162 WeakPolarHBondContact OD2-CB 3.47Å; D121-S162 PolarHBondContact OD2-OG 3.37Å; S162-D164 PolarHBondContact OG-N 3.2Å
163	T	95.9	Very high	94.7	Very high	68 Å²	68	61 Å²	61	42%	0.417	33%	0.331	S	S	.	.			trans	-92.2	-16.4	179.9	61.7	0	0	0	0	113.4	D121 L165 K166 V167	D121-T163 PolarHBondContact OD1-N 2.81Å; D121-T163 PolarHBondContact OD1-OG1 2.82Å; D121-T163 PolarHBondContact OD2-N 3Å; T163-L165 PolarHBondContact O-N 2.88Å; T163-K166 WeakPolarHBondContact O-CA 3.39Å; T163-K166 VanDerWaalsContact O-CB 3.31Å; T163-K166 WeakPolarHBondContact O-CB 3.4Å; T163-K166 PolarHBondContact O-N 2.93Å; T163-V167 PolarHBondContact O-N 2.7Å
164	D	97.5	Very high	94.7	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-46	-53.6	-176.2	-74.8	-2.7	0	0	0	114.2	W115 T116 L117 D121 L136 S162 K166 V167 L168	W115-D164 HydrophobicContact CB-CB 4.02Å; T116-D164 VanDerWaalsContact CA-OD2 3.27Å; T116-D164 WeakPolarHBondContact CA-OD2 3.44Å; T116-D164 PolarHBondContact N-OD2 3Å; L117-D164 WeakPolarHBondContact CB-OD2 3.23Å; L117-D164 PolarHBondContact N-OD2 2.88Å; D121-D164 VanDerWaalsContact OD2-OD1 3.12Å; L136-D164 HydrophobicContact CD1-CB 3.97Å; S162-D164 PolarHBondContact OG-N 3.2Å; D164-K166 PolarHBondContact O-N 2.88Å; D164-V167 WeakPolarHBondContact O-CB 3.43Å; D164-V167 PolarHBondContact O-N 2.8Å; D164-V167 VanDerWaalsContact O-N 3.17Å; D164-L168 WeakPolarHBondContact O-CB 3.49Å; D164-L168 WeakPolarHBondContact O-CG 3.31Å; D164-L168 PolarHBondContact O-N 2.76Å
165	L	97.4	Very high	94.7	Very high	12 Å²	12	67 Å²	67	6%	0.063	36%	0.362	C	S	.	.	H	α-helix	trans	-65.7	-29.7	-177.1	-69.8	-177.6	0	0	0	112.1	W115 V151 T163 L168 K169 V175	W115-L165 HydrophobicContact CB-CD2 4.34Å; W115-L165 HydrophobicContact CB-CG 4.13Å; W115-L165 HydrophobicContact CD2-CD2 3.71Å; W115-L165 HydrophobicContact CD2-CG 4.46Å; W115-L165 HydrophobicContact CE3-CD2 4.29Å; W115-L165 HydrophobicContact CG-CD1 4.42Å; W115-L165 HydrophobicContact CG-CD2 3.69Å; W115-L165 HydrophobicContact CG-CG 3.96Å; V151-L165 HydrophobicContact CG2-CD2 3.73Å; T163-L165 PolarHBondContact O-N 2.88Å; L165-L168 HydrophobicContact CD2-CD1 4.43Å; L165-K169 VanDerWaalsContact O-CB 3.32Å; L165-K169 WeakPolarHBondContact O-CB 3.38Å; L165-K169 PolarHBondContact O-N 3.06Å; L165-K169 VanDerWaalsContact O-N 3.08Å; L165-V175 HydrophobicContact CB-CG1 4.12Å; L165-V175 HydrophobicContact CD1-CG1 4.07Å; L165-V175 HydrophobicContact CD2-CG1 4.02Å; L165-V175 HydrophobicContact CD2-CG2 4.42Å; L165-V175 HydrophobicContact CG-CG1 4.31Å
166	K	97.6	Very high	94.8	Very high	138 Å²	138	66.7 Å²	66.7	60%	0.6	35%	0.354	S	S	*	.	H	α-helix	trans	-69.8	-47.5	173.7	-179.7	-175.1	169.3	-171.6	0	109.9	T163 D164 L168 K169 E170	T163-K166 WeakPolarHBondContact O-CA 3.39Å; T163-K166 VanDerWaalsContact O-CB 3.31Å; T163-K166 WeakPolarHBondContact O-CB 3.4Å; T163-K166 PolarHBondContact O-N 2.93Å; D164-K166 PolarHBondContact O-N 2.88Å; K166-L168 PolarHBondContact O-N 3.38Å; K166-K169 WeakPolarHBondContact O-CB 3.46Å; K166-K169 PolarHBondContact O-N 2.75Å; K166-E170 WeakPolarHBondContact CE-OE1 3.38Å; K166-E170 WeakPolarHBondContact O-CG 3.37Å; K166-E170 PolarHBondContact O-N 2.9Å
167	V	98	Very high	94.9	Very high	54 Å²	54	69.4 Å²	69.4	33%	0.327	36%	0.356	S	S	.	.	H	α-helix	trans	-57.6	-47.3	176.8	173	0	0	0	0	111.1	T163 D164 K169 E170 K171	T163-V167 PolarHBondContact O-N 2.7Å; D164-V167 WeakPolarHBondContact O-CB 3.43Å; D164-V167 PolarHBondContact O-N 2.8Å; D164-V167 VanDerWaalsContact O-N 3.17Å; V167-K169 VanDerWaalsContact C-N 3.34Å; V167-K169 PolarHBondContact O-N 3.08Å; V167-E170 PolarHBondContact O-N 2.84Å; V167-K171 WeakPolarHBondContact O-CG 3.02Å; V167-K171 PolarHBondContact O-N 2.88Å; V167-K171 VanDerWaalsContact O-N 3.16Å
168	L	98.6	Very high	95.1	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-60.9	-42.9	176.8	-71.5	175.7	0	0	0	111.6	W115 L136 L139 D164 L165 K166 E170 K171 G172 V173	W115-L168 HydrophobicContact CE3-CD1 3.98Å; W115-L168 HydrophobicContact CH2-CD1 4.35Å; W115-L168 HydrophobicContact CZ3-CD1 3.67Å; L136-L168 HydrophobicContact CD1-CD1 4.03Å; L136-L168 HydrophobicContact CD1-CD2 3.85Å; L136-L168 HydrophobicContact CD1-CG 3.71Å; L139-L168 HydrophobicContact CB-CD2 3.95Å; D164-L168 WeakPolarHBondContact O-CB 3.49Å; D164-L168 WeakPolarHBondContact O-CG 3.31Å; D164-L168 PolarHBondContact O-N 2.76Å; L165-L168 HydrophobicContact CD2-CD1 4.43Å; K166-L168 PolarHBondContact O-N 3.38Å; L168-E170 VanDerWaalsContact C-N 3.35Å; L168-E170 PolarHBondContact O-N 2.82Å; L168-K171 CarbonylContact O-C 3.57Å; L168-K171 WeakPolarHBondContact O-CA 3.19Å; L168-K171 WeakPolarHBondContact O-CB 3.08Å; L168-K171 PolarHBondContact O-N 2.84Å; L168-K171 VanDerWaalsContact O-N 3.08Å; L168-G172 PolarHBondContact O-N 3.3Å; L168-V173 HydrophobicContact CB-CB 3.89Å; L168-V173 HydrophobicContact CB-CG1 4.22Å; L168-V173 HydrophobicContact CB-CG2 4.05Å; L168-V173 HydrophobicContact CD2-CG2 4.09Å; L168-V173 VanDerWaalsContact O-CB 3.23Å; L168-V173 WeakPolarHBondContact O-CB 3.31Å; L168-V173 WeakPolarHBondContact O-CG2 3.14Å; L168-V173 PolarHBondContact O-N 2.94Å
169	K	98.4	Very high	95.6	Very high	146 Å²	146	68.1 Å²	68.1	64%	0.635	34%	0.342	S	S	*	.	H	α-helix	trans	-62.3	-41.2	177.7	-169.5	178.1	-178.8	-178.2	0	112.3	L165 K166 V167 K171 G172 V173 V175	L165-K169 VanDerWaalsContact O-CB 3.32Å; L165-K169 WeakPolarHBondContact O-CB 3.38Å; L165-K169 PolarHBondContact O-N 3.06Å; L165-K169 VanDerWaalsContact O-N 3.08Å; K166-K169 WeakPolarHBondContact O-CB 3.46Å; K166-K169 PolarHBondContact O-N 2.75Å; V167-K169 VanDerWaalsContact C-N 3.34Å; V167-K169 PolarHBondContact O-N 3.08Å; K169-K171 PolarHBondContact O-N 3.49Å; K169-G172 PolarHBondContact O-N 2.87Å; K169-G172 VanDerWaalsContact O-N 3.08Å; K169-V173 WeakPolarHBondContact CA-O 3.38Å; K169-V175 HydrophobicContact CB-CG2 4.04Å
170	E	98.4	Very high	96.2	Very high	136 Å²	136	66.1 Å²	66.1	64%	0.636	33%	0.333	S	S	*	.	H	α-helix	trans	-62.8	-26.6	175	-71.8	170.1	-176.8	0	0	112.4	K166 V167 L168 G172	K166-E170 WeakPolarHBondContact CE-OE1 3.38Å; K166-E170 WeakPolarHBondContact O-CG 3.37Å; K166-E170 PolarHBondContact O-N 2.9Å; V167-E170 PolarHBondContact O-N 2.84Å; L168-E170 VanDerWaalsContact C-N 3.35Å; L168-E170 PolarHBondContact O-N 2.82Å; E170-G172 VanDerWaalsContact C-N 3.33Å
171	K	98.4	Very high	97	Very high	129 Å²	129	63 Å²	63	56%	0.561	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	4.2	175	-66.8	-72.2	-176.2	173.3	0	114.5	G140 P143 V167 L168 K169	G140-K171 WeakPolarHBondContact O-CB 3.29Å; P143-K171 WeakPolarHBondContact CB-O 3.38Å; P143-K171 WeakPolarHBondContact CG-O 3.24Å; V167-K171 WeakPolarHBondContact O-CG 3.02Å; V167-K171 PolarHBondContact O-N 2.88Å; V167-K171 VanDerWaalsContact O-N 3.16Å; L168-K171 CarbonylContact O-C 3.57Å; L168-K171 WeakPolarHBondContact O-CA 3.19Å; L168-K171 WeakPolarHBondContact O-CB 3.08Å; L168-K171 PolarHBondContact O-N 2.84Å; L168-K171 VanDerWaalsContact O-N 3.08Å; K169-K171 PolarHBondContact O-N 3.49Å
172	G	98.5	Very high	97.5	Very high	49 Å²	49	62.4 Å²	62.4	51%	0.505	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.9	8.4	178.5	0	0	0	0	0	114.9	L168 K169 E170	L168-G172 PolarHBondContact O-N 3.3Å; K169-G172 PolarHBondContact O-N 2.87Å; K169-G172 VanDerWaalsContact O-N 3.08Å; E170-G172 VanDerWaalsContact C-N 3.33Å
173	V	98.8	Very high	97.6	Very high	4 Å²	4	62.6 Å²	62.6	2%	0.024	31%	0.307	C	S	.	.			trans	-74.1	136	171.4	178.3	0	0	0	0	110.1	P143 V149 V151 L168 K169 V175	P143-V173 HydrophobicContact CG-CG2 3.98Å; V149-V173 HydrophobicContact CB-CB 4.33Å; V149-V173 HydrophobicContact CB-CG1 3.91Å; V149-V173 HydrophobicContact CB-CG2 3.96Å; V149-V173 HydrophobicContact CG1-CB 4.45Å; V149-V173 HydrophobicContact CG1-CG1 3.66Å; V149-V173 HydrophobicContact CG1-CG2 4.1Å; V151-V173 HydrophobicContact CB-CG1 4.48Å; V151-V173 HydrophobicContact CG1-CG1 3.81Å; V151-V173 HydrophobicContact CG2-CG1 3.96Å; L168-V173 HydrophobicContact CB-CB 3.89Å; L168-V173 HydrophobicContact CB-CG1 4.22Å; L168-V173 HydrophobicContact CB-CG2 4.05Å; L168-V173 HydrophobicContact CD2-CG2 4.09Å; L168-V173 VanDerWaalsContact O-CB 3.23Å; L168-V173 WeakPolarHBondContact O-CB 3.31Å; L168-V173 WeakPolarHBondContact O-CG2 3.14Å; L168-V173 PolarHBondContact O-N 2.94Å; K169-V173 WeakPolarHBondContact CA-O 3.38Å; V173-V175 PolarHBondContact O-N 3.25Å
174	Q	98.8	Very high	97.6	Very high	91 Å²	91	60.3 Å²	60.3	43%	0.425	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	119	176.6	-55.2	176.1	45.2	0	0	109.8	V149 R150 V151 W240	V149-Q174 PolarHBondContact O-N 2.93Å; R150-Q174 CarbonylContact C-O 3.54Å; R150-Q174 WeakPolarHBondContact CA-O 3.32Å; R150-Q174 HydrophobicContact CG-CB 4.03Å; R150-Q174 HydrophobicContact CG-CG 4.46Å; V151-Q174 PolarHBondContact N-O 2.99Å; Q174-W240 HydrophobicContact CB-CH2 3.72Å; Q174-W240 HydrophobicContact CB-CZ2 4.22Å
175	V	98.3	Very high	97.5	Very high	40 Å²	40	64.4 Å²	64.4	24%	0.242	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	133.2	-176.9	179.1	0	0	0	0	110.7	V151 L165 K169 V173	V151-V175 HydrophobicContact CG2-CB 4.11Å; V151-V175 HydrophobicContact CG2-CG1 4.2Å; V151-V175 HydrophobicContact CG2-CG2 3.64Å; L165-V175 HydrophobicContact CB-CG1 4.12Å; L165-V175 HydrophobicContact CD1-CG1 4.07Å; L165-V175 HydrophobicContact CD2-CG1 4.02Å; L165-V175 HydrophobicContact CD2-CG2 4.42Å; L165-V175 HydrophobicContact CG-CG1 4.31Å; K169-V175 HydrophobicContact CB-CG2 4.04Å; V173-V175 PolarHBondContact O-N 3.25Å
176	R	97.8	Very high	97.5	Very high	47 Å²	47	64.2 Å²	64.2	18%	0.177	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	123.7	174.8	-173.4	62	57.4	163.5	7.5	111.1	V151 V152 S153 V178 W240 G243 Q244	V151-R176 PolarHBondContact O-N 3.45Å; V152-R176 CarbonylContact C-O 3.48Å; V152-R176 VanDerWaalsContact CA-O 3.29Å; V152-R176 WeakPolarHBondContact CA-O 3.17Å; V152-R176 HydrophobicContact CG2-CB 4.31Å; S153-R176 PolarHBondContact N-O 3.08Å; R176-V178 HydrophobicContact CG-CG2 4.19Å; R176-W240 HydrophobicContact CB-CD2 4.41Å; R176-W240 HydrophobicContact CB-CE3 3.6Å; R176-W240 HydrophobicContact CB-CH2 4.07Å; R176-W240 HydrophobicContact CB-CZ3 3.4Å; R176-W240 HydrophobicContact CG-CE3 4.1Å; R176-W240 HydrophobicContact CG-CZ3 4.35Å; R176-G243 VanDerWaalsContact CD-C 3.5Å; R176-G243 WeakPolarHBondContact CD-O 3.38Å; R176-G243 PolarHBondContact NH1-O 3.43Å; R176-Q244 VanDerWaalsContact NH1-CD 3.31Å
177	R	97.2	Very high	97.5	Very high	127 Å²	127	58.9 Å²	58.9	48%	0.479	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	128.9	170	-67	-167.2	168.3	174.4	-3.6	108.7	S153 V155	S153-R177 WeakPolarHBondContact O-CA 3.33Å; V155-R177 HydrophobicContact CG2-CB 3.9Å
178	V	97.8	Very high	97.5	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	124.1	-174.1	-168.9	0	0	0	0	110.4	V152 S153 V155 R176 F180 L183 Y239 M242	V152-V178 HydrophobicContact CG1-CG2 3.73Å; S153-V178 PolarHBondContact O-N 3.17Å; V155-V178 PolarHBondContact N-O 3.45Å; R176-V178 HydrophobicContact CG-CG2 4.19Å; V178-F180 HydrophobicContact CB-CD2 3.86Å; V178-F180 HydrophobicContact CB-CE2 3.93Å; V178-F180 HydrophobicContact CG1-CD2 3.6Å; V178-F180 HydrophobicContact CG1-CE2 3.49Å; V178-F180 VanDerWaalsContact CG1-CE2 3.49Å; V178-F180 PolarHBondContact O-N 3.15Å; V178-L183 HydrophobicContact CG1-CD1 4.01Å; V178-Y239 VanDerWaalsContact CG2-O 3.31Å; V178-Y239 WeakPolarHBondContact CG2-O 3.35Å; V178-M242 HydrophobicContact CG1-CB 4.41Å
179	E	97	Very high	97.5	Very high	95 Å²	95	56.7 Å²	56.7	44%	0.444	29%	0.293	S	S	.	.			trans	-76.8	62.8	-176.8	-64.5	-174.9	-174.7	0	0	113.6	V155 G181 R182 L183	V155-E179 HydrophobicContact CB-CG 4.45Å; V155-E179 HydrophobicContact CG1-CG 4.44Å; V155-E179 CarbonylContact O-C 3.22Å; V155-E179 WeakPolarHBondContact O-CA 3.29Å; E179-G181 PolarHBondContact O-N 3.45Å; E179-R182 HydrophobicContact CB-CB 4.18Å; E179-R182 PolarHBondContact O-N 2.84Å; E179-R182 VanDerWaalsContact O-N 3.08Å; E179-R182 WeakPolarHBondContact OE2-CD 3.35Å; E179-R182 IonicContact OE2-CZ 2.62Å; E179-R182 IonicContact OE2-NE 2.67Å; E179-R182 PolarHBondContact OE2-NE 3.22Å; E179-R182 IonicContact OE2-NH2 3.13Å; E179-L183 WeakPolarHBondContact O-CB 3.23Å; E179-L183 VanDerWaalsContact O-CG 3.27Å; E179-L183 WeakPolarHBondContact O-CG 3.21Å; E179-L183 PolarHBondContact O-N 3.29Å
180	F	97.1	Very high	97.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-57.7	-32.5	176.1	-92.5	-95.6	0	0	0	113.9	V155 V178 R182 L183 T184 A185 G186 L188 Y239 F287 A429	V155-F180 PolarHBondContact O-N 2.97Å; V178-F180 HydrophobicContact CB-CD2 3.86Å; V178-F180 HydrophobicContact CB-CE2 3.93Å; V178-F180 HydrophobicContact CG1-CD2 3.6Å; V178-F180 HydrophobicContact CG1-CE2 3.49Å; V178-F180 VanDerWaalsContact CG1-CE2 3.49Å; V178-F180 PolarHBondContact O-N 3.15Å; F180-R182 VanDerWaalsContact C-N 3.28Å; F180-R182 PolarHBondContact O-N 3.22Å; F180-L183 PolarHBondContact O-N 2.91Å; F180-T184 HydrophobicContact CD1-CG2 4.22Å; F180-T184 WeakPolarHBondContact CD1-OG1 3.27Å; F180-T184 HydrophobicContact CE1-CG2 4.45Å; F180-T184 PolarHBondContact O-N 3.07Å; F180-T184 PolarHBondContact O-OG1 3.05Å; F180-A185 PolarHBondContact O-N 3.21Å; F180-G186 CarbonylContact C-O 3.12Å; F180-G186 VanDerWaalsContact C-O 3.26Å; F180-G186 WeakPolarHBondContact CB-O 3.28Å; F180-L188 HydrophobicContact CD2-CB 3.61Å; F180-L188 HydrophobicContact CD2-CD1 4.38Å; F180-L188 HydrophobicContact CD2-CG 4.49Å; F180-L188 HydrophobicContact CE2-CB 3.67Å; F180-L188 HydrophobicContact CE2-CD1 3.7Å; F180-L188 HydrophobicContact CE2-CG 4.06Å; F180-L188 HydrophobicContact CG-CB 4.16Å; F180-L188 HydrophobicContact CZ-CB 4.28Å; F180-L188 HydrophobicContact CZ-CD1 4.33Å; F180-L188 HydrophobicContact CZ-CG 4.48Å; F180-Y239 HydrophobicContact CE2-CD1 4.27Å; F180-Y239 AromaticContact CZ-CD1 3.89Å; F180-Y239 HydrophobicContact CZ-CD1 3.89Å; F180-Y239 AromaticContact CZ-CE1 3.91Å; F180-Y239 HydrophobicContact CZ-CE1 3.91Å; F180-F287 HydrophobicContact CD1-CE2 4.05Å; F180-F287 HydrophobicContact CD1-CZ 4.43Å; F180-F287 HydrophobicContact CE1-CD1 4.45Å; F180-F287 AromaticContact CE1-CD2 3.71Å; F180-F287 HydrophobicContact CE1-CD2 3.71Å; F180-F287 HydrophobicContact CE1-CE1 4.19Å; F180-F287 AromaticContact CE1-CE2 3.35Å; F180-F287 HydrophobicContact CE1-CE2 3.35Å; F180-F287 HydrophobicContact CE1-CG 4.22Å; F180-F287 AromaticContact CE1-CZ 3.62Å; F180-F287 HydrophobicContact CE1-CZ 3.62Å; F180-F287 HydrophobicContact CE2-CE1 4.34Å; F180-F287 AromaticContact CE2-CZ 3.97Å; F180-F287 HydrophobicContact CE2-CZ 3.97Å; F180-F287 HydrophobicContact CZ-CD1 4.09Å; F180-F287 HydrophobicContact CZ-CD2 4.14Å; F180-F287 AromaticContact CZ-CE1 3.63Å; F180-F287 HydrophobicContact CZ-CE1 3.63Å; F180-F287 AromaticContact CZ-CE2 3.65Å; F180-F287 HydrophobicContact CZ-CE2 3.65Å; F180-F287 HydrophobicContact CZ-CG 4.32Å; F180-F287 AromaticContact CZ-CZ 3.37Å; F180-F287 HydrophobicContact CZ-CZ 3.37Å; F180-A429 HydrophobicContact CD1-CB 4.09Å; F180-A429 HydrophobicContact CE1-CB 3.26Å; F180-A429 HydrophobicContact CZ-CB 3.54Å
181	G	95.9	Very high	97.5	Very high	32 Å²	32	43.4 Å²	43.4	33%	0.33	23%	0.233	S	C	.	.	H	α-helix	trans	-59.6	-39.8	174.9	0	0	0	0	0	112.3	V155 E179 A185 G186	V155-G181 PolarHBondContact O-N 3.02Å; E179-G181 PolarHBondContact O-N 3.45Å; G181-A185 VanDerWaalsContact O-CA 3.24Å; G181-A185 WeakPolarHBondContact O-CA 3.48Å; G181-A185 PolarHBondContact O-N 2.67Å; G181-A185 VanDerWaalsContact O-N 3.13Å; G181-G186 WeakPolarHBondContact CA-O 3.28Å; G181-G186 PolarHBondContact N-O 2.93Å
182	R	96.2	Very high	97.5	Very high	126 Å²	126	37.3 Å²	37.3	48%	0.475	21%	0.206	S	C	.	.	H	α-helix	trans	-77.3	-41.6	175	-176.5	-177.2	61.7	81.7	1.7	111.9	E179 F180 S247	E179-R182 HydrophobicContact CB-CB 4.18Å; E179-R182 PolarHBondContact O-N 2.84Å; E179-R182 VanDerWaalsContact O-N 3.08Å; E179-R182 WeakPolarHBondContact OE2-CD 3.35Å; E179-R182 IonicContact OE2-CZ 2.62Å; E179-R182 IonicContact OE2-NE 2.67Å; E179-R182 PolarHBondContact OE2-NE 3.22Å; E179-R182 IonicContact OE2-NH2 3.13Å; F180-R182 VanDerWaalsContact C-N 3.28Å; F180-R182 PolarHBondContact O-N 3.22Å; R182-S247 VanDerWaalsContact CZ-O 3.29Å; R182-S247 PolarHBondContact NH1-O 3.48Å; R182-S247 PolarHBondContact NH2-O 3.39Å; R182-S247 PolarHBondContact NH2-OG 3.04Å
183	L	96.7	Very high	97.5	Very high	21 Å²	21	35.1 Å²	35.1	11%	0.11	18%	0.183	C	C	.	.	H	α-helix	trans	-74.2	-30.8	-172.6	-67	170.1	0	0	0	113.1	V178 E179 F180 M242 L249 F287	V178-L183 HydrophobicContact CG1-CD1 4.01Å; E179-L183 WeakPolarHBondContact O-CB 3.23Å; E179-L183 VanDerWaalsContact O-CG 3.27Å; E179-L183 WeakPolarHBondContact O-CG 3.21Å; E179-L183 PolarHBondContact O-N 3.29Å; F180-L183 PolarHBondContact O-N 2.91Å; L183-M242 HydrophobicContact CD1-CB 4.11Å; L183-L249 HydrophobicContact CB-CD2 4.29Å; L183-L249 HydrophobicContact CB-CG 4.47Å; L183-L249 HydrophobicContact CD2-CD2 4.17Å; L183-L249 HydrophobicContact CD2-CG 4.3Å; L183-L249 WeakPolarHBondContact O-CD1 3.48Å; L183-F287 HydrophobicContact CB-CE2 4.22Å; L183-F287 HydrophobicContact CB-CZ 4.49Å; L183-F287 HydrophobicContact CD1-CE2 4.47Å; L183-F287 HydrophobicContact CD1-CZ 3.93Å
184	T	95.8	Very high	97.5	Very high	19 Å²	19	35 Å²	35	12%	0.117	18%	0.182	C	C	.	.	H	α-helix	trans	-145	-4.6	-168	58.5	0	0	0	0	114.8	F180 G186 L249 P284 F287 T427	F180-T184 HydrophobicContact CD1-CG2 4.22Å; F180-T184 WeakPolarHBondContact CD1-OG1 3.27Å; F180-T184 HydrophobicContact CE1-CG2 4.45Å; F180-T184 PolarHBondContact O-N 3.07Å; F180-T184 PolarHBondContact O-OG1 3.05Å; T184-G186 PolarHBondContact O-N 2.89Å; T184-G186 PolarHBondContact OG1-N 2.75Å; T184-L249 HydrophobicContact CG2-CD1 4.23Å; T184-P284 HydrophobicContact CG2-CG 3.99Å; T184-F287 HydrophobicContact CG2-CD2 3.65Å; T184-F287 HydrophobicContact CG2-CE2 3.49Å; T184-F287 VanDerWaalsContact CG2-CE2 3.49Å; T184-T427 VanDerWaalsContact CB-O 3.25Å; T184-T427 WeakPolarHBondContact CB-O 3.48Å; T184-T427 WeakPolarHBondContact O-CB 3.24Å; T184-T427 WeakPolarHBondContact O-CG2 3.06Å; T184-T427 PolarHBondContact OG1-O 3.36Å
185	A	95.6	Very high	97.6	Very high	87 Å²	87	30.6 Å²	30.6	72%	0.719	16%	0.162	S	C	*	.	S	Bend	trans	60	12	-165.9	0	0	0	0	0	115	F180 G181	F180-A185 PolarHBondContact O-N 3.21Å; G181-A185 VanDerWaalsContact O-CA 3.24Å; G181-A185 WeakPolarHBondContact O-CA 3.48Å; G181-A185 PolarHBondContact O-N 2.67Å; G181-A185 VanDerWaalsContact O-N 3.13Å
186	G	96.1	Very high	97.6	Very high	7 Å²	7	30 Å²	30	7%	0.072	16%	0.157	C	C	.	.	S	Bend	trans	-114.8	-153.3	175.8	0	0	0	0	0	113.2	F180 G181 T184	F180-G186 CarbonylContact C-O 3.12Å; F180-G186 VanDerWaalsContact C-O 3.26Å; F180-G186 WeakPolarHBondContact CB-O 3.28Å; G181-G186 WeakPolarHBondContact CA-O 3.28Å; G181-G186 PolarHBondContact N-O 2.93Å; T184-G186 PolarHBondContact O-N 2.89Å; T184-G186 PolarHBondContact OG1-N 2.75Å
187	V	97.8	Very high	97.6	Very high	27 Å²	27	29.3 Å²	29.3	16%	0.164	16%	0.156	C	C	.	.			trans	-129.4	162.6	176.4	-64.2	0	0	0	0	111.3	F113 S154 P156 H189 T428 A429	F113-V187 HydrophobicContact CD2-CB 4.2Å; F113-V187 HydrophobicContact CD2-CG2 4.33Å; F113-V187 HydrophobicContact CE2-CB 3.66Å; F113-V187 HydrophobicContact CE2-CG1 3.81Å; F113-V187 HydrophobicContact CE2-CG2 3.9Å; F113-V187 HydrophobicContact CZ-CB 4.32Å; F113-V187 HydrophobicContact CZ-CG1 4.21Å; F113-V187 HydrophobicContact CZ-CG2 4.2Å; S154-V187 WeakPolarHBondContact OG-CB 3.39Å; P156-V187 HydrophobicContact CG-CG1 3.88Å; V187-H189 HydrophobicContact CG2-CB 4.31Å; V187-H189 PolarHBondContact O-N 3.22Å; V187-T428 HydrophobicContact CG2-CG2 3.72Å; V187-T428 CarbonylContact O-C 3.47Å; V187-T428 WeakPolarHBondContact O-CA 3.47Å; V187-T428 WeakPolarHBondContact O-CG2 3.29Å; V187-A429 PolarHBondContact O-N 2.87Å
188	L	98.3	Very high	97.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-79	113.4	160.7	-171.8	154.9	0	0	0	108.3	V111 F113 V152 S154 F180 Y239	V111-L188 HydrophobicContact CG1-CD1 4.04Å; V111-L188 HydrophobicContact CG1-CD2 3.39Å; V111-L188 HydrophobicContact CG1-CG 4.27Å; F113-L188 VanDerWaalsContact CA-O 3.26Å; F113-L188 WeakPolarHBondContact CA-O 3.28Å; F113-L188 WeakPolarHBondContact CB-O 3.24Å; F113-L188 WeakPolarHBondContact CD2-O 3.32Å; F113-L188 WeakPolarHBondContact CG-O 3.39Å; V152-L188 HydrophobicContact CG1-CD1 3.64Å; S154-L188 PolarHBondContact OG-N 3.14Å; F180-L188 HydrophobicContact CD2-CB 3.61Å; F180-L188 HydrophobicContact CD2-CD1 4.38Å; F180-L188 HydrophobicContact CD2-CG 4.49Å; F180-L188 HydrophobicContact CE2-CB 3.67Å; F180-L188 HydrophobicContact CE2-CD1 3.7Å; F180-L188 HydrophobicContact CE2-CG 4.06Å; F180-L188 HydrophobicContact CG-CB 4.16Å; F180-L188 HydrophobicContact CZ-CB 4.28Å; F180-L188 HydrophobicContact CZ-CD1 4.33Å; F180-L188 HydrophobicContact CZ-CG 4.48Å; L188-Y239 HydrophobicContact CD1-CD1 4.21Å; L188-Y239 HydrophobicContact CD1-CD2 3.65Å; L188-Y239 HydrophobicContact CD1-CE2 4.03Å; L188-Y239 HydrophobicContact CD1-CG 3.74Å; L188-Y239 HydrophobicContact CG-CE2 4.48Å
189	H	98.3	Very high	97.6	Very high	8 Å²	8	27.7 Å²	27.7	4%	0.037	15%	0.153	C	C	.	.			trans	-115.3	2.2	178	-156.4	-103	0	0	0	113.7	F113 V187 K191 T417 Y424 T428 A429	F113-H189 AromaticContact CD1-CD2 3.56Å; F113-H189 AromaticContact CD1-NE2 3.99Å; F113-H189 AromaticContact CG-CD2 3.86Å; V187-H189 HydrophobicContact CG2-CB 4.31Å; V187-H189 PolarHBondContact O-N 3.22Å; H189-K191 PolarHBondContact CD2-NZ 3.32Å; H189-K191 VanDerWaalsContact CD2-NZ 3.32Å; H189-K191 PolarHBondContact CE1-NZ 2.91Å; H189-K191 PolarHBondContact ND1-NZ 2.98Å; H189-K191 PolarHBondContact NE2-NZ 3.32Å; H189-K191 VanDerWaalsContact NE2-NZ 3.12Å; H189-K191 WeakPolarHBondContact O-CD 3.37Å; H189-K191 PolarHBondContact O-NZ 3.38Å; H189-T417 PolarHBondContact CE1-O 2.84Å; H189-T417 PolarHBondContact ND1-O 3.16Å; H189-T417 WeakPolarHBondContact O-CB 3.45Å; H189-Y424 AromaticContact CE1-CE1 3.89Å; H189-Y424 AromaticContact CG-CE1 3.99Å; H189-Y424 AromaticContact ND1-CE1 3.75Å; H189-T428 HydrophobicContact CB-CG2 3.38Å; H189-A429 CarbonylContact C-O 3.45Å; H189-A429 VanDerWaalsContact C-O 3.25Å; H189-A429 WeakPolarHBondContact CA-O 3.45Å; H189-A429 VanDerWaalsContact CB-O 3.27Å; H189-A429 WeakPolarHBondContact CB-O 3.32Å; H189-A429 PolarHBondContact N-O 3.25Å
190	S	98.6	Very high	97.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.132	C	C	.	.			trans	-60.7	137.3	171	-55	0	0	0	0	111.2	S112 Y239 A429 G430	S112-S190 WeakPolarHBondContact CA-O 3.5Å; S190-Y239 PolarHBondContact OG-OH 2.99Å; S190-A429 PolarHBondContact N-O 3.21Å; S190-G430 VanDerWaalsContact OG-CA 3.32Å; S190-G430 WeakPolarHBondContact OG-CA 3.25Å; S190-G430 PolarHBondContact OG-N 2.94Å
191	K	98.7	Very high	97.8	Very high	3 Å²	3	23.2 Å²	23.2	1%	0.013	13%	0.132	C	C	.	.			trans	-129.7	109.2	168.2	-44.7	100.9	168.1	64.9	0	110.1	V111 H189 G203 S204 A205 N206 T417	V111-K191 VanDerWaalsContact O-CA 3.26Å; V111-K191 WeakPolarHBondContact O-CA 3.32Å; H189-K191 PolarHBondContact CD2-NZ 3.32Å; H189-K191 VanDerWaalsContact CD2-NZ 3.32Å; H189-K191 PolarHBondContact CE1-NZ 2.91Å; H189-K191 PolarHBondContact ND1-NZ 2.98Å; H189-K191 PolarHBondContact NE2-NZ 3.32Å; H189-K191 VanDerWaalsContact NE2-NZ 3.12Å; H189-K191 WeakPolarHBondContact O-CD 3.37Å; H189-K191 PolarHBondContact O-NZ 3.38Å; K191-G203 PolarHBondContact O-N 3.38Å; K191-S204 VanDerWaalsContact CD-O 3.3Å; K191-S204 WeakPolarHBondContact CD-O 3.38Å; K191-S204 WeakPolarHBondContact CE-O 3.18Å; K191-A205 WeakPolarHBondContact CB-O 3.22Å; K191-A205 VanDerWaalsContact CG-O 3.29Å; K191-A205 WeakPolarHBondContact CG-O 3.38Å; K191-N206 WeakPolarHBondContact CE-OD1 3.49Å; K191-N206 PolarHBondContact NZ-OD1 3.39Å; K191-T417 HydrophobicContact CD-CG2 4.01Å
192	F	98.9	Very high	97.9	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	160.3	179.5	67.7	-104.8	0	0	0	112.6	V111 I194 F201 I202 L232 I235 F236 Y239 V431	V111-F192 HydrophobicContact CB-CD1 4.08Å; V111-F192 HydrophobicContact CB-CD2 4.38Å; V111-F192 HydrophobicContact CB-CE1 3.96Å; V111-F192 HydrophobicContact CB-CE2 4.22Å; V111-F192 HydrophobicContact CB-CG 4.31Å; V111-F192 HydrophobicContact CB-CZ 4.03Å; V111-F192 HydrophobicContact CG1-CE1 4.23Å; V111-F192 HydrophobicContact CG2-CD1 4.34Å; V111-F192 HydrophobicContact CG2-CD2 4.11Å; V111-F192 HydrophobicContact CG2-CE1 3.83Å; V111-F192 HydrophobicContact CG2-CE2 3.52Å; V111-F192 HydrophobicContact CG2-CG 4.48Å; V111-F192 HydrophobicContact CG2-CZ 3.39Å; V111-F192 PolarHBondContact N-O 2.99Å; V111-F192 PolarHBondContact O-N 3.12Å; V111-F192 VanDerWaalsContact O-N 3.09Å; F192-I194 HydrophobicContact CD2-CD1 4.34Å; F192-I194 HydrophobicContact CD2-CG1 4.06Å; F192-I194 HydrophobicContact CE2-CD1 3.81Å; F192-I194 HydrophobicContact CE2-CG1 4.04Å; F192-F201 CarbonylContact C-O 3.53Å; F192-F201 WeakPolarHBondContact CA-O 3.45Å; F192-F201 WeakPolarHBondContact CB-O 3.47Å; F192-I202 HydrophobicContact CB-CG1 3.9Å; F192-L232 HydrophobicContact CB-CD2 4.13Å; F192-L232 HydrophobicContact CD1-CD1 4.01Å; F192-L232 HydrophobicContact CD2-CD1 4.08Å; F192-L232 HydrophobicContact CD2-CD2 3.67Å; F192-L232 HydrophobicContact CD2-CG 3.84Å; F192-L232 HydrophobicContact CE1-CD1 3.95Å; F192-L232 HydrophobicContact CE2-CD1 4.07Å; F192-L232 HydrophobicContact CE2-CD2 4.21Å; F192-L232 HydrophobicContact CE2-CG 3.86Å; F192-L232 HydrophobicContact CG-CD1 4.05Å; F192-L232 HydrophobicContact CG-CD2 3.97Å; F192-L232 HydrophobicContact CG-CG 4.26Å; F192-L232 HydrophobicContact CZ-CD1 3.98Å; F192-L232 HydrophobicContact CZ-CG 4.25Å; F192-I235 HydrophobicContact CE1-CG2 4.36Å; F192-F236 HydrophobicContact CE2-CB 4Å; F192-F236 HydrophobicContact CE2-CD2 4.22Å; F192-F236 HydrophobicContact CZ-CB 3.98Å; F192-F236 HydrophobicContact CZ-CD2 4.46Å; F192-Y239 AromaticContact CE1-CE2 3.92Å; F192-Y239 HydrophobicContact CE1-CE2 3.92Å; F192-Y239 HydrophobicContact CZ-CE2 4.31Å; F192-V431 HydrophobicContact CD1-CG1 4.33Å; F192-V431 HydrophobicContact CD1-CG2 3.74Å; F192-V431 HydrophobicContact CE1-CG1 4.18Å; F192-V431 HydrophobicContact CE1-CG2 4.4Å
193	W	98.9	Very high	98	Very high	4 Å²	4	15.8 Å²	15.8	2%	0.015	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	144.8	176	-62.3	50	0	0	0	109.4	W97 I101 V108 N109 V110 I135 L139 V200 F201 M207	W97-W193 HydrophobicContact CB-CH2 4.42Å; W97-W193 HydrophobicContact CB-CZ2 4.46Å; W97-W193 HydrophobicContact CD2-CH2 4.49Å; W97-W193 AromaticContact CD2-CZ2 3.76Å; W97-W193 HydrophobicContact CD2-CZ2 3.76Å; W97-W193 AromaticContact CE2-NE1 3.9Å; W97-W193 HydrophobicContact CE3-CZ2 4.03Å; W97-W193 HydrophobicContact CG-CH2 4.4Å; W97-W193 AromaticContact CG-CZ2 3.98Å; W97-W193 HydrophobicContact CG-CZ2 3.98Å; W97-W193 AromaticContact NE1-NE1 3.87Å; I101-W193 HydrophobicContact CD1-CH2 4.1Å; I101-W193 HydrophobicContact CD1-CZ3 4.09Å; I101-W193 HydrophobicContact CG1-CH2 4.31Å; I101-W193 HydrophobicContact CG1-CZ3 3.79Å; V108-W193 HydrophobicContact CG1-CE3 4.13Å; V108-W193 HydrophobicContact CG1-CZ3 4.37Å; N109-W193 CarbonylContact O-C 3.56Å; N109-W193 VanDerWaalsContact O-CA 3.31Å; N109-W193 WeakPolarHBondContact O-CA 3.48Å; V110-W193 HydrophobicContact CB-CD2 4.47Å; V110-W193 HydrophobicContact CG1-CD2 4.03Å; V110-W193 HydrophobicContact CG1-CG 4.2Å; V110-W193 HydrophobicContact CG1-CZ2 4.22Å; V110-W193 HydrophobicContact CG2-CD2 3.73Å; V110-W193 HydrophobicContact CG2-CE3 3.69Å; V110-W193 HydrophobicContact CG2-CG 4.26Å; V110-W193 HydrophobicContact CG2-CH2 4.4Å; V110-W193 HydrophobicContact CG2-CZ2 4.45Å; V110-W193 HydrophobicContact CG2-CZ3 4.03Å; I135-W193 HydrophobicContact CG2-CH2 4.27Å; L139-W193 HydrophobicContact CD1-CH2 3.95Å; L139-W193 HydrophobicContact CD2-CH2 4Å; L139-W193 HydrophobicContact CD2-CZ3 3.79Å; L139-W193 HydrophobicContact CG-CH2 4.22Å; L139-W193 HydrophobicContact CG-CZ3 4.48Å; W193-V200 WeakPolarHBondContact O-CA 3.24Å; W193-F201 HydrophobicContact CB-CB 4.15Å; W193-F201 AromaticContact CD1-CD1 3.69Å; W193-F201 HydrophobicContact CG-CB 4.44Å; W193-F201 HydrophobicContact CG-CD1 4.48Å; W193-F201 PolarHBondContact N-O 2.81Å; W193-F201 PolarHBondContact O-N 3.05Å; W193-M207 HydrophobicContact CH2-CE 4.17Å; W193-M207 HydrophobicContact CZ2-CE 3.57Å; W193-M207 HydrophobicContact CZ2-SD 3.58Å; W193-M207 VanDerWaalsContact CZ2-SD 3.58Å
194	I	98.9	Very high	98.1	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	117.2	168.4	-53.5	166.5	0	0	0	107.5	N109 F192 M197 H199 V200 A229 L232 Y233 F236	N109-I194 HydrophobicContact CB-CB 4.27Å; N109-I194 PolarHBondContact N-O 3.1Å; N109-I194 PolarHBondContact ND2-O 3.48Å; N109-I194 PolarHBondContact O-N 2.94Å; F192-I194 HydrophobicContact CD2-CD1 4.34Å; F192-I194 HydrophobicContact CD2-CG1 4.06Å; F192-I194 HydrophobicContact CE2-CD1 3.81Å; F192-I194 HydrophobicContact CE2-CG1 4.04Å; I194-M197 HydrophobicContact CG2-SD 4.1Å; I194-H199 CarbonylContact C-O 3.47Å; I194-H199 WeakPolarHBondContact CA-O 3.46Å; I194-V200 HydrophobicContact CG1-CG1 4.33Å; I194-A229 HydrophobicContact CG2-CB 4.23Å; I194-L232 HydrophobicContact CD1-CB 4.13Å; I194-L232 HydrophobicContact CD1-CD2 4.35Å; I194-L232 HydrophobicContact CD1-CG 3.92Å; I194-L232 HydrophobicContact CG1-CB 4.37Å; I194-L232 HydrophobicContact CG1-CD2 3.87Å; I194-L232 HydrophobicContact CG1-CG 4.01Å; I194-Y233 HydrophobicContact CD1-CD2 4.14Å; I194-F236 HydrophobicContact CD1-CB 3.96Å
195	V	98.9	Very high	98.2	Very high	0 Å²	0	14 Å²	14	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	126	177.7	-178.4	0	0	0	0	109.4	L100 A104 S107 V108 M197 K198 H199	L100-V195 HydrophobicContact CB-CG2 4.12Å; L100-V195 HydrophobicContact CD2-CG2 4.27Å; A104-V195 HydrophobicContact CB-CG1 3.7Å; S107-V195 WeakPolarHBondContact O-CA 3.42Å; V108-V195 HydrophobicContact CG1-CG2 4.38Å; V108-V195 HydrophobicContact CG2-CG1 4.29Å; V108-V195 HydrophobicContact CG2-CG2 4.25Å; V195-M197 PolarHBondContact O-N 2.81Å; V195-K198 PolarHBondContact O-N 2.99Å; V195-H199 HydrophobicContact CB-CB 4.24Å; V195-H199 PolarHBondContact N-O 2.84Å; V195-H199 PolarHBondContact O-N 2.97Å
196	D	98.6	Very high	98.4	Very high	27 Å²	27	10.1 Å²	10.1	14%	0.144	5%	0.051	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	28	176.3	-62.7	-22.4	0	0	0	114.9	S105 H106 S107 K198	S105-D196 WeakPolarHBondContact CB-OD2 3.18Å; S105-D196 PolarHBondContact N-OD1 3.44Å; S105-D196 PolarHBondContact N-OD2 2.62Å; S105-D196 PolarHBondContact OG-OD2 2.85Å; H106-D196 WeakPolarHBondContact CA-OD1 3.25Å; H106-D196 PolarHBondContact N-OD1 3.07Å; S107-D196 PolarHBondContact N-OD1 2.76Å; S107-D196 PolarHBondContact O-N 3.09Å; D196-K198 WeakPolarHBondContact O-CB 3.23Å; D196-K198 PolarHBondContact O-N 2.96Å; D196-K198 VanDerWaalsContact O-N 3.14Å
197	M	98.1	Very high	98.5	Very high	33 Å²	33	9.9 Å²	9.9	16%	0.163	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	33	-175	-59.7	-63.9	-61.3	0	0	112.6	I194 V195 S226 A229 M230 Y233	I194-M197 HydrophobicContact CG2-SD 4.1Å; V195-M197 PolarHBondContact O-N 2.81Å; M197-S226 WeakPolarHBondContact O-CA 3.25Å; M197-S226 PolarHBondContact O-OG 2.69Å; M197-A229 WeakPolarHBondContact O-CB 2.93Å; M197-M230 HydrophobicContact CE-CB 4.22Å; M197-M230 HydrophobicContact CE-CG 3.77Å; M197-Y233 VanDerWaalsContact CE-CB 3.46Å; M197-Y233 HydrophobicContact CE-CD1 3.64Å; M197-Y233 HydrophobicContact CE-CD2 4.24Å; M197-Y233 HydrophobicContact CE-CE1 4.35Å; M197-Y233 HydrophobicContact CE-CG 3.54Å; M197-Y233 HydrophobicContact SD-CD1 4.02Å; M197-Y233 HydrophobicContact SD-CD2 3.65Å; M197-Y233 HydrophobicContact SD-CE1 4.39Å; M197-Y233 HydrophobicContact SD-CE2 4.07Å; M197-Y233 HydrophobicContact SD-CG 3.59Å; M197-Y233 VanDerWaalsContact SD-CG 3.59Å
198	K	97.8	Very high	98.5	Very high	82 Å²	82	8.8 Å²	8.8	36%	0.357	4%	0.042	S	C	.	.	T	Hydrogen-bonded Turn	trans	-143	-36.2	-169.4	-175.8	175	177.7	-174.1	0	114.1	V195 D196 N224 C225	V195-K198 PolarHBondContact O-N 2.99Å; D196-K198 WeakPolarHBondContact O-CB 3.23Å; D196-K198 PolarHBondContact O-N 2.96Å; D196-K198 VanDerWaalsContact O-N 3.14Å; K198-N224 WeakPolarHBondContact CE-OD1 3.18Å; K198-N224 PolarHBondContact NZ-OD1 2.5Å; K198-N224 PolarHBondContact O-N 3.03Å; K198-C225 CarbonylContact O-C 3.53Å; K198-C225 PolarHBondContact O-N 3.24Å
199	H	98.6	Very high	98.5	Very high	10 Å²	10	8.8 Å²	8.8	5%	0.046	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	141.6	178.9	-47.8	-80.7	0	0	0	109.4	L100 I194 V195 V222 Y223 N224	L100-H199 HydrophobicContact CD2-CB 3.72Å; I194-H199 CarbonylContact C-O 3.47Å; I194-H199 WeakPolarHBondContact CA-O 3.46Å; V195-H199 HydrophobicContact CB-CB 4.24Å; V195-H199 PolarHBondContact N-O 2.84Å; V195-H199 PolarHBondContact O-N 2.97Å; H199-V222 CarbonylContact C-O 3.53Å; H199-V222 WeakPolarHBondContact CA-O 3.35Å; H199-Y223 HydrophobicContact CB-CD1 4.28Å; H199-Y223 WeakPolarHBondContact ND1-CA 3.46Å; H199-Y223 AromaticContact ND1-CD1 3.45Å; H199-Y223 WeakPolarHBondContact ND1-CD1 3.14Å; H199-Y223 AromaticContact ND1-CG 3.93Å; H199-N224 PolarHBondContact CE1-OD1 3.41Å; H199-N224 PolarHBondContact ND1-N 3.42Å
200	V	98.7	Very high	98.4	Very high	1 Å²	1	8.5 Å²	8.5	1%	0.006	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	151.7	178	-59.1	0	0	0	0	111.6	W193 I194 A221 V222 L228 A229 L232	W193-V200 WeakPolarHBondContact O-CA 3.24Å; I194-V200 HydrophobicContact CG1-CG1 4.33Å; V200-A221 CarbonylContact O-C 3.46Å; V200-A221 WeakPolarHBondContact O-CA 3.42Å; V200-V222 HydrophobicContact CG2-CB 3.68Å; V200-V222 HydrophobicContact CG2-CG2 4Å; V200-V222 PolarHBondContact N-O 3.44Å; V200-V222 PolarHBondContact O-N 3.14Å; V200-L228 HydrophobicContact CG2-CD2 3.78Å; V200-L228 HydrophobicContact CG2-CG 4.36Å; V200-A229 HydrophobicContact CG1-CB 3.74Å; V200-L232 HydrophobicContact CB-CD2 4.01Å; V200-L232 HydrophobicContact CG1-CD2 3.86Å
201	F	98.8	Very high	98.4	Very high	1 Å²	1	8.6 Å²	8.6	0%	0.004	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	135.2	162.7	166.1	-92.2	0	0	0	108.6	V74 L93 W97 L100 F192 W193 V220	V74-F201 HydrophobicContact CB-CE2 4.03Å; V74-F201 HydrophobicContact CG1-CE2 3.94Å; V74-F201 HydrophobicContact CG2-CD2 4.41Å; V74-F201 HydrophobicContact CG2-CE2 4.38Å; L93-F201 HydrophobicContact CD1-CE1 4.48Å; L93-F201 HydrophobicContact CD1-CE2 3.75Å; L93-F201 HydrophobicContact CD1-CZ 3.55Å; W97-F201 HydrophobicContact CZ2-CE1 4.31Å; W97-F201 AromaticContact NE1-CD1 3.73Å; W97-F201 AromaticContact NE1-CE1 3.54Å; W97-F201 AromaticContact NE1-CZ 3.69Å; L100-F201 HydrophobicContact CD1-CB 3.7Å; F192-F201 CarbonylContact C-O 3.53Å; F192-F201 WeakPolarHBondContact CA-O 3.45Å; F192-F201 WeakPolarHBondContact CB-O 3.47Å; W193-F201 HydrophobicContact CB-CB 4.15Å; W193-F201 AromaticContact CD1-CD1 3.69Å; W193-F201 HydrophobicContact CG-CB 4.44Å; W193-F201 HydrophobicContact CG-CD1 4.48Å; W193-F201 PolarHBondContact N-O 2.81Å; W193-F201 PolarHBondContact O-N 3.05Å; F201-V220 VanDerWaalsContact CA-O 3.29Å; F201-V220 WeakPolarHBondContact CA-O 3.42Å
202	I	98.9	Very high	98.4	Very high	2 Å²	2	9.1 Å²	9.1	1%	0.01	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	131.9	171.5	-63.6	171.7	0	0	0	107.4	F192 G219 V220 L232 I280 V431 L433	F192-I202 HydrophobicContact CB-CG1 3.9Å; I202-G219 CarbonylContact O-C 3.57Å; I202-G219 WeakPolarHBondContact O-CA 3.24Å; I202-V220 PolarHBondContact N-O 2.72Å; I202-V220 PolarHBondContact O-N 3.06Å; I202-L232 HydrophobicContact CD1-CD1 4.37Å; I202-L232 HydrophobicContact CD1-CD2 3.99Å; I202-L232 HydrophobicContact CG1-CD2 4.01Å; I202-I280 HydrophobicContact CD1-CD1 4.29Å; I202-I280 HydrophobicContact CD1-CG1 4.5Å; I202-V431 HydrophobicContact CG2-CG2 4.1Å; I202-L433 HydrophobicContact CD1-CB 4.21Å
203	G	98.2	Very high	98.2	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.6	-172.2	179.5	0	0	0	0	0	114.1	K191 L218 T417	K191-G203 PolarHBondContact O-N 3.38Å; G203-L218 WeakPolarHBondContact CA-O 3.19Å; G203-T417 WeakPolarHBondContact O-CG2 3.35Å
204	S	98.3	Very high	98.1	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.048	C	C	.	.	S	Bend	trans	-82.5	-19.4	-175.5	57.8	0	0	0	0	114.6	K191 N206 E217 L218 H403	K191-S204 VanDerWaalsContact CD-O 3.3Å; K191-S204 WeakPolarHBondContact CD-O 3.38Å; K191-S204 WeakPolarHBondContact CE-O 3.18Å; S204-N206 PolarHBondContact O-N 2.92Å; S204-E217 WeakPolarHBondContact CB-OE2 3.44Å; S204-E217 PolarHBondContact OG-OE2 3.29Å; S204-L218 PolarHBondContact N-O 2.89Å; S204-L218 PolarHBondContact OG-N 3.09Å; S204-L218 PolarHBondContact OG-O 3.4Å; S204-L218 VanDerWaalsContact OG-O 3.13Å; S204-H403 WeakPolarHBondContact CB-O 3.42Å; S204-H403 PolarHBondContact O-CE1 2.94Å; S204-H403 PolarHBondContact O-ND1 2.97Å; S204-H403 PolarHBondContact OG-O 3.29Å
205	A	98.3	Very high	98	Very high	3 Å²	3	10.1 Å²	10.1	3%	0.025	5%	0.05	C	C	.	.			trans	-70	121.9	-173.2	0	0	0	0	0	113.3	L93 W97 K191 A211 E217	L93-A205 HydrophobicContact CD1-CB 4.33Å; L93-A205 HydrophobicContact CD2-CB 3.44Å; L93-A205 VanDerWaalsContact CD2-CB 3.44Å; W97-A205 HydrophobicContact CH2-CB 4.23Å; W97-A205 HydrophobicContact CZ2-CB 3.87Å; K191-A205 WeakPolarHBondContact CB-O 3.22Å; K191-A205 VanDerWaalsContact CG-O 3.29Å; K191-A205 WeakPolarHBondContact CG-O 3.38Å; A205-A211 HydrophobicContact CB-CB 4.05Å; A205-E217 HydrophobicContact CB-CB 4.06Å; A205-E217 HydrophobicContact CB-CG 3.89Å; A205-E217 PolarHBondContact N-OE2 3.43Å
206	N	98.4	Very high	98	Very high	4 Å²	4	10.1 Å²	10.1	2%	0.021	5%	0.05	C	C	.	.			trans	-73.3	166.6	162.8	-61.4	-67.2	0	0	0	110.2	F113 Y114 K191 S204 D208	F113-N206 WeakPolarHBondContact CB-OD1 3.4Å; Y114-N206 HydrophobicContact CD1-CB 4.36Å; Y114-N206 HydrophobicContact CE1-CB 3.92Å; Y114-N206 VanDerWaalsContact CE1-CG 3.5Å; Y114-N206 WeakPolarHBondContact CE1-ND2 3.12Å; Y114-N206 HydrophobicContact CE2-CB 4.16Å; K191-N206 WeakPolarHBondContact CE-OD1 3.49Å; K191-N206 PolarHBondContact NZ-OD1 3.39Å; S204-N206 PolarHBondContact O-N 2.92Å; N206-D208 HydrophobicContact CB-CB 4.35Å; N206-D208 PolarHBondContact O-N 3.48Å
207	M	98.5	Very high	98	Very high	2 Å²	2	9.1 Å²	9.1	1%	0.01	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	69.1	169	-60.5	-58.8	-57.3	0	0	110.3	W97 V110 S112 W115 T116 L117 I135 L139 W193	W97-M207 HydrophobicContact CE3-CE 4.48Å; W97-M207 HydrophobicContact CH2-CE 4.46Å; W97-M207 HydrophobicContact CH2-SD 3.85Å; W97-M207 HydrophobicContact CZ2-SD 4.31Å; W97-M207 HydrophobicContact CZ3-CE 4.06Å; W97-M207 HydrophobicContact CZ3-SD 4.04Å; V110-M207 HydrophobicContact CG1-CG 4.27Å; V110-M207 HydrophobicContact CG1-SD 3.88Å; S112-M207 PolarHBondContact OG-N 3.38Å; W115-M207 CarbonylContact C-O 3.58Å; W115-M207 VanDerWaalsContact CA-O 3.28Å; W115-M207 WeakPolarHBondContact CA-O 3.06Å; W115-M207 HydrophobicContact CB-CB 4.45Å; W115-M207 HydrophobicContact CD2-CB 3.57Å; W115-M207 HydrophobicContact CD2-CG 3.76Å; W115-M207 HydrophobicContact CE3-CB 3.54Å; W115-M207 HydrophobicContact CE3-CE 4.23Å; W115-M207 HydrophobicContact CE3-CG 3.76Å; W115-M207 HydrophobicContact CG-CB 4.01Å; W115-M207 HydrophobicContact CH2-CB 4.39Å; W115-M207 HydrophobicContact CH2-CE 3.95Å; W115-M207 HydrophobicContact CH2-CG 3.66Å; W115-M207 HydrophobicContact CH2-SD 4.23Å; W115-M207 HydrophobicContact CZ2-CB 4.41Å; W115-M207 HydrophobicContact CZ2-CG 3.64Å; W115-M207 HydrophobicContact CZ3-CB 3.99Å; W115-M207 HydrophobicContact CZ3-CE 3.61Å; W115-M207 HydrophobicContact CZ3-CG 3.72Å; W115-M207 HydrophobicContact CZ3-SD 4.35Å; T116-M207 PolarHBondContact N-O 2.95Å; L117-M207 HydrophobicContact CD1-CE 3.75Å; L117-M207 HydrophobicContact CD2-CB 4.42Å; L117-M207 HydrophobicContact CD2-CE 4.19Å; L117-M207 HydrophobicContact CG-CB 4.41Å; L117-M207 HydrophobicContact CG-CE 4.44Å; I135-M207 HydrophobicContact CG2-CE 3.94Å; L139-M207 HydrophobicContact CD1-CE 3.97Å; W193-M207 HydrophobicContact CH2-CE 4.17Å; W193-M207 HydrophobicContact CZ2-CE 3.57Å; W193-M207 HydrophobicContact CZ2-SD 3.58Å; W193-M207 VanDerWaalsContact CZ2-SD 3.58Å
208	D	98	Very high	98	Very high	5 Å²	5	7.7 Å²	7.7	3%	0.027	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	129.4	-174.8	-172.6	-29.9	0	0	0	108.2	Y114 T116 N206 R210 A211	Y114-D208 HydrophobicContact CE2-CB 3.91Å; Y114-D208 WeakPolarHBondContact CE2-OD2 3.34Å; Y114-D208 PolarHBondContact OH-OD2 3Å; Y114-D208 VanDerWaalsContact OH-OD2 3.07Å; T116-D208 HydrophobicContact CG2-CB 3.89Å; T116-D208 VanDerWaalsContact CG2-CG 3.4Å; T116-D208 WeakPolarHBondContact CG2-OD2 3.47Å; T116-D208 WeakPolarHBondContact O-CA 3.25Å; N206-D208 HydrophobicContact CB-CB 4.35Å; N206-D208 PolarHBondContact O-N 3.48Å; D208-R210 PolarHBondContact O-N 2.82Å; D208-R210 VanDerWaalsContact OD1-CB 3.24Å; D208-R210 WeakPolarHBondContact OD1-CB 3.29Å; D208-R210 WeakPolarHBondContact OD1-CG 3.26Å; D208-R210 IonicContact OD1-CZ 3.32Å; D208-R210 PolarHBondContact OD1-N 3.28Å; D208-R210 IonicContact OD1-NE 2.67Å; D208-R210 PolarHBondContact OD1-NE 3.19Å; D208-R210 IonicContact OD1-NH2 2.89Å; D208-R210 IonicContact OD2-CZ 3.18Å; D208-R210 IonicContact OD2-NE 3.05Å; D208-R210 PolarHBondContact OD2-NE 3.44Å; D208-R210 VanDerWaalsContact OD2-NE 3.09Å; D208-R210 IonicContact OD2-NH2 3.18Å; D208-R210 PolarHBondContact OD2-NH2 2.84Å; D208-A211 HydrophobicContact CB-CB 4.28Å; D208-A211 WeakPolarHBondContact O-CB 3.4Å; D208-A211 PolarHBondContact O-N 3.19Å
209	W	97.8	Very high	98	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-60.1	-29.9	179	68.6	-99.5	0	0	0	112	T116 T118 I122 V124 T128 D129 A211 L212 T213 Q214 I396	T116-W209 PolarHBondContact O-N 2.88Å; T118-W209 VanDerWaalsContact C-CD1 3.46Å; T118-W209 PolarHBondContact O-NE1 2.92Å; I122-W209 HydrophobicContact CD1-CZ2 3.93Å; V124-W209 HydrophobicContact CB-CZ2 4.32Å; V124-W209 HydrophobicContact CG1-CH2 4.25Å; V124-W209 HydrophobicContact CG1-CZ2 3.93Å; T128-W209 VanDerWaalsContact OG1-CZ3 3.23Å; T128-W209 WeakPolarHBondContact OG1-CZ3 3.43Å; D129-W209 HydrophobicContact CB-CB 4.15Å; D129-W209 HydrophobicContact CB-CD2 3.63Å; D129-W209 HydrophobicContact CB-CE3 3.9Å; D129-W209 HydrophobicContact CB-CG 3.77Å; D129-W209 HydrophobicContact CB-CZ3 4.49Å; W209-A211 PolarHBondContact O-N 3.2Å; W209-L212 WeakPolarHBondContact O-CB 3.36Å; W209-L212 PolarHBondContact O-N 3.34Å; W209-L212 VanDerWaalsContact O-N 3.07Å; W209-T213 PolarHBondContact O-N 3.26Å; W209-T213 PolarHBondContact O-OG1 3.34Å; W209-Q214 HydrophobicContact CE3-CG 4.47Å; W209-Q214 HydrophobicContact CH2-CG 4.31Å; W209-Q214 HydrophobicContact CZ3-CG 3.67Å; W209-I396 HydrophobicContact CH2-CB 4.48Å; W209-I396 HydrophobicContact CH2-CD1 3.91Å; W209-I396 HydrophobicContact CH2-CG1 4.24Å; W209-I396 HydrophobicContact CH2-CG2 3.43Å; W209-I396 VanDerWaalsContact CH2-CG2 3.43Å; W209-I396 HydrophobicContact CZ2-CG2 3.73Å; W209-I396 HydrophobicContact CZ3-CD1 4.49Å; W209-I396 HydrophobicContact CZ3-CG2 4.42Å
210	R	97.1	Very high	98	Very high	2 Å²	2	3.3 Å²	3.3	1%	0.008	2%	0.019	C	C	.	.	H	α-helix	trans	-65.7	-28	176	-65.2	166.6	-69.8	174.2	-0.3	111.9	D208 L212 T213 Q214 V215 I396 P397 T399	D208-R210 PolarHBondContact O-N 2.82Å; D208-R210 VanDerWaalsContact OD1-CB 3.24Å; D208-R210 WeakPolarHBondContact OD1-CB 3.29Å; D208-R210 WeakPolarHBondContact OD1-CG 3.26Å; D208-R210 IonicContact OD1-CZ 3.32Å; D208-R210 PolarHBondContact OD1-N 3.28Å; D208-R210 IonicContact OD1-NE 2.67Å; D208-R210 PolarHBondContact OD1-NE 3.19Å; D208-R210 IonicContact OD1-NH2 2.89Å; D208-R210 IonicContact OD2-CZ 3.18Å; D208-R210 IonicContact OD2-NE 3.05Å; D208-R210 PolarHBondContact OD2-NE 3.44Å; D208-R210 VanDerWaalsContact OD2-NE 3.09Å; D208-R210 IonicContact OD2-NH2 3.18Å; D208-R210 PolarHBondContact OD2-NH2 2.84Å; R210-L212 PolarHBondContact O-N 2.92Å; R210-T213 PolarHBondContact O-N 2.74Å; R210-Q214 HydrophobicContact CB-CB 4.04Å; R210-Q214 HydrophobicContact CB-CG 4.47Å; R210-Q214 HydrophobicContact CG-CB 4.37Å; R210-Q214 HydrophobicContact CG-CG 4.4Å; R210-Q214 CarbonylContact O-C 3.54Å; R210-Q214 WeakPolarHBondContact O-CA 3.48Å; R210-Q214 PolarHBondContact O-N 3.1Å; R210-V215 HydrophobicContact CB-CG2 4.24Å; R210-V215 PolarHBondContact O-N 2.82Å; R210-I396 HydrophobicContact CG-CG2 3.99Å; R210-P397 PolarHBondContact NH1-O 3.31Å; R210-T399 HydrophobicContact CB-CG2 4.01Å; R210-T399 VanDerWaalsContact CD-CG2 3.46Å; R210-T399 HydrophobicContact CG-CG2 3.69Å
211	A	97.9	Very high	98	Very high	2 Å²	2	3.3 Å²	3.3	2%	0.017	2%	0.019	C	C	.	.	H	α-helix	trans	-63.1	-28	174.4	0	0	0	0	0	111.9	S76 L93 A205 D208 W209 E217	S76-A211 WeakPolarHBondContact CB-O 3.33Å; S76-A211 PolarHBondContact OG-O 3.42Å; L93-A211 HydrophobicContact CD2-CB 4.47Å; A205-A211 HydrophobicContact CB-CB 4.05Å; D208-A211 HydrophobicContact CB-CB 4.28Å; D208-A211 WeakPolarHBondContact O-CB 3.4Å; D208-A211 PolarHBondContact O-N 3.19Å; W209-A211 PolarHBondContact O-N 3.2Å; A211-E217 HydrophobicContact CB-CG 3.96Å
212	L	98.1	Very high	97.9	Very high	14 Å²	14	3.3 Å²	3.3	7%	0.073	2%	0.019	C	C	.	.	H	α-helix	trans	-83.3	-33.3	-179	-59.3	170	0	0	0	112.5	L93 E94 W97 A131 I135 W209 R210	L93-L212 HydrophobicContact CB-CD2 4.22Å; L93-L212 HydrophobicContact CD2-CD2 3.85Å; L93-L212 HydrophobicContact CG-CD2 3.79Å; E94-L212 HydrophobicContact CB-CD2 4.12Å; W97-L212 HydrophobicContact CD2-CD2 4.48Å; W97-L212 HydrophobicContact CE3-CD2 3.8Å; W97-L212 HydrophobicContact CH2-CD2 4.42Å; W97-L212 HydrophobicContact CZ3-CD1 4.38Å; W97-L212 HydrophobicContact CZ3-CD2 3.77Å; W97-L212 HydrophobicContact CZ3-CG 4.27Å; A131-L212 HydrophobicContact CB-CB 4.18Å; A131-L212 HydrophobicContact CB-CD1 3.93Å; I135-L212 HydrophobicContact CG1-CD1 4.29Å; W209-L212 WeakPolarHBondContact O-CB 3.36Å; W209-L212 PolarHBondContact O-N 3.34Å; W209-L212 VanDerWaalsContact O-N 3.07Å; R210-L212 PolarHBondContact O-N 2.92Å
213	T	96.4	Very high	97.9	Very high	15 Å²	15	4.4 Å²	4.4	9%	0.092	2%	0.023	C	C	.	.	H	α-helix	trans	-128.5	-20.4	-168.4	57.2	0	0	0	0	115.7	P78 L79 T128 A131 W209 R210	P78-T213 WeakPolarHBondContact CA-O 3.33Å; L79-T213 VanDerWaalsContact CG-O 3.32Å; L79-T213 WeakPolarHBondContact CG-O 3.3Å; L79-T213 PolarHBondContact N-O 3.36Å; T128-T213 VanDerWaalsContact O-CG2 3.28Å; T128-T213 WeakPolarHBondContact O-CG2 3.44Å; T128-T213 PolarHBondContact O-OG1 2.94Å; A131-T213 HydrophobicContact CB-CG2 4.27Å; W209-T213 PolarHBondContact O-N 3.26Å; W209-T213 PolarHBondContact O-OG1 3.34Å; R210-T213 PolarHBondContact O-N 2.74Å
214	Q	96.4	Very high	97.8	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.4	-18.8	-167.9	-59.3	-63.3	-16.2	0	0	114.8	T128 W209 R210 Q393 I396 T399 R400	T128-Q214 PolarHBondContact OG1-NE2 3.48Å; T128-Q214 VanDerWaalsContact OG1-NE2 3.08Å; W209-Q214 HydrophobicContact CE3-CG 4.47Å; W209-Q214 HydrophobicContact CH2-CG 4.31Å; W209-Q214 HydrophobicContact CZ3-CG 3.67Å; R210-Q214 HydrophobicContact CB-CB 4.04Å; R210-Q214 HydrophobicContact CB-CG 4.47Å; R210-Q214 HydrophobicContact CG-CB 4.37Å; R210-Q214 HydrophobicContact CG-CG 4.4Å; R210-Q214 CarbonylContact O-C 3.54Å; R210-Q214 WeakPolarHBondContact O-CA 3.48Å; R210-Q214 PolarHBondContact O-N 3.1Å; Q214-Q393 VanDerWaalsContact NE2-OE1 3.14Å; Q214-I396 HydrophobicContact CG-CD1 4.21Å; Q214-T399 HydrophobicContact CB-CG2 3.55Å; Q214-T399 HydrophobicContact CG-CG2 4.15Å; Q214-R400 PolarHBondContact O-N 3.23Å; Q214-R400 VanDerWaalsContact O-N 3.14Å
215	V	97.3	Very high	97.7	Very high	9 Å²	9	7.9 Å²	7.9	6%	0.055	4%	0.041	C	C	.	.	S	Bend	trans	-115.8	141.4	-178	175.1	0	0	0	0	108.2	S76 R210 E217 V401 H403	S76-V215 PolarHBondContact OG-O 3.47Å; R210-V215 HydrophobicContact CB-CG2 4.24Å; R210-V215 PolarHBondContact O-N 2.82Å; V215-E217 HydrophobicContact CB-CG 4.46Å; V215-E217 HydrophobicContact CG1-CG 4.01Å; V215-E217 WeakPolarHBondContact CG1-OE1 3.47Å; V215-E217 PolarHBondContact O-N 3.36Å; V215-V401 HydrophobicContact CG1-CG2 3.96Å; V215-V401 HydrophobicContact CG2-CG2 4.23Å; V215-H403 HydrophobicContact CG1-CB 3.39Å
216	K	97.8	Very high	97.6	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.054	C	C	.	.	B	Isolated β-bridge	trans	-83	111.8	171.9	176.4	168.5	171.7	57.7	0	108.4	E75 S76 P78 Y386 V401 H403 N404 D460	E75-K216 IonicContact OE2-NZ 3.12Å; E75-K216 PolarHBondContact OE2-NZ 2.89Å; E75-K216 VanDerWaalsContact OE2-NZ 3.08Å; S76-K216 WeakPolarHBondContact O-CA 3.27Å; P78-K216 HydrophobicContact CG-CB 3.91Å; K216-Y386 HydrophobicContact CD-CE1 4.16Å; K216-V401 PolarHBondContact N-O 2.93Å; K216-H403 PolarHBondContact O-N 2.99Å; K216-N404 PolarHBondContact O-OD1 3.2Å; K216-D460 VanDerWaalsContact CE-CG 3.5Å; K216-D460 WeakPolarHBondContact CE-OD2 3.16Å; K216-D460 IonicContact NZ-OD1 2.87Å; K216-D460 IonicContact NZ-OD2 3.09Å; K216-D460 PolarHBondContact NZ-OD2 3.29Å; K216-D460 VanDerWaalsContact NZ-OD2 3.13Å
217	E	98.4	Very high	97.6	Very high	6 Å²	6	11.2 Å²	11.2	3%	0.028	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	159.3	177.9	-57.8	-76.3	-173.2	0	0	110.6	E75 S76 L93 S204 A205 A211 V215 H403	E75-E217 WeakPolarHBondContact CA-O 3.44Å; E75-E217 VanDerWaalsContact CB-O 3.29Å; E75-E217 WeakPolarHBondContact CB-O 3.49Å; S76-E217 PolarHBondContact N-O 2.83Å; S76-E217 PolarHBondContact O-N 3.13Å; S76-E217 VanDerWaalsContact OG-CB 3.25Å; S76-E217 WeakPolarHBondContact OG-CB 3.39Å; S76-E217 WeakPolarHBondContact OG-CG 3.18Å; S76-E217 PolarHBondContact OG-N 2.92Å; L93-E217 HydrophobicContact CD2-CB 4.28Å; L93-E217 HydrophobicContact CD2-CG 4.48Å; S204-E217 WeakPolarHBondContact CB-OE2 3.44Å; S204-E217 PolarHBondContact OG-OE2 3.29Å; A205-E217 HydrophobicContact CB-CB 4.06Å; A205-E217 HydrophobicContact CB-CG 3.89Å; A205-E217 PolarHBondContact N-OE2 3.43Å; A211-E217 HydrophobicContact CB-CG 3.96Å; V215-E217 HydrophobicContact CB-CG 4.46Å; V215-E217 HydrophobicContact CG1-CG 4.01Å; V215-E217 WeakPolarHBondContact CG1-OE1 3.47Å; V215-E217 PolarHBondContact O-N 3.36Å; E217-H403 VanDerWaalsContact CD-ND1 3.35Å; E217-H403 IonicContact OE1-CG 3.75Å; E217-H403 IonicContact OE1-ND1 3.07Å; E217-H403 PolarHBondContact OE1-ND1 2.89Å; E217-H403 WeakPolarHBondContact OE2-CB 3.42Å; E217-H403 IonicContact OE2-CG 3.67Å; E217-H403 IonicContact OE2-ND1 2.91Å; E217-H403 PolarHBondContact OE2-ND1 3.42Å
218	L	98.4	Very high	97.6	Very high	4 Å²	4	11.1 Å²	11.1	2%	0.021	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	144.6	173.9	-173.1	144.4	0	0	0	110.6	L73 V74 G203 S204 N404 Y406 V415 L453 V456	L73-L218 HydrophobicContact CD1-CD1 4.07Å; L73-L218 HydrophobicContact CD1-CD2 3.96Å; L73-L218 HydrophobicContact CD1-CG 4.02Å; L73-L218 HydrophobicContact CD2-CD1 4.39Å; V74-L218 CarbonylContact O-C 3.53Å; V74-L218 WeakPolarHBondContact O-CA 3.36Å; G203-L218 WeakPolarHBondContact CA-O 3.19Å; S204-L218 PolarHBondContact N-O 2.89Å; S204-L218 PolarHBondContact OG-N 3.09Å; S204-L218 PolarHBondContact OG-O 3.4Å; S204-L218 VanDerWaalsContact OG-O 3.13Å; L218-N404 VanDerWaalsContact CB-OD1 3.25Å; L218-N404 WeakPolarHBondContact CB-OD1 3.21Å; L218-N404 PolarHBondContact N-OD1 3Å; L218-N404 VanDerWaalsContact N-OD1 3.14Å; L218-Y406 HydrophobicContact CD1-CD1 3.84Å; L218-Y406 HydrophobicContact CD1-CE1 3.71Å; L218-Y406 HydrophobicContact CD2-CD1 3.93Å; L218-Y406 HydrophobicContact CD2-CG 4.32Å; L218-Y406 HydrophobicContact CG-CD1 4.33Å; L218-V415 HydrophobicContact CD2-CG1 3.96Å; L218-V415 HydrophobicContact CD2-CG2 4.02Å; L218-L453 HydrophobicContact CD1-CD1 3.85Å; L218-L453 HydrophobicContact CD2-CD1 3.83Å; L218-L453 HydrophobicContact CG-CD1 4.48Å; L218-V456 HydrophobicContact CD1-CG1 3.93Å
219	G	98.4	Very high	97.6	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	-174.8	176.3	0	0	0	0	0	112	V74 I202	V74-G219 PolarHBondContact N-O 3.13Å; V74-G219 PolarHBondContact O-N 3.08Å; I202-G219 CarbonylContact O-C 3.57Å; I202-G219 WeakPolarHBondContact O-CA 3.24Å
220	V	98.5	Very high	97.6	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	129.3	177	-178.4	0	0	0	0	108	T72 F201 I202 V222 V415 L433 L449	T72-V220 WeakPolarHBondContact O-CA 3.39Å; F201-V220 VanDerWaalsContact CA-O 3.29Å; F201-V220 WeakPolarHBondContact CA-O 3.42Å; I202-V220 PolarHBondContact N-O 2.72Å; I202-V220 PolarHBondContact O-N 3.06Å; V220-V222 HydrophobicContact CG1-CG2 3.79Å; V220-V415 HydrophobicContact CG2-CB 4.13Å; V220-V415 HydrophobicContact CG2-CG1 4.25Å; V220-V415 HydrophobicContact CG2-CG2 3.83Å; V220-L433 HydrophobicContact CB-CD2 4.17Å; V220-L433 HydrophobicContact CG1-CD2 4Å; V220-L433 HydrophobicContact CG2-CD2 4.48Å; V220-L449 HydrophobicContact CB-CD2 4.3Å; V220-L449 HydrophobicContact CG1-CD1 4.39Å; V220-L449 HydrophobicContact CG1-CD2 3.44Å; V220-L449 VanDerWaalsContact CG1-CD2 3.44Å; V220-L449 HydrophobicContact CG2-CD1 4.18Å; V220-L449 HydrophobicContact CG2-CD2 3.82Å
221	A	98.3	Very high	97.7	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	129.7	163.6	0	0	0	0	0	109.1	T72 V74 V200 Y223	T72-A221 HydrophobicContact CG2-CB 3.92Å; T72-A221 PolarHBondContact N-O 3.13Å; T72-A221 PolarHBondContact O-N 3.5Å; V74-A221 HydrophobicContact CG2-CB 3.81Å; V200-A221 CarbonylContact O-C 3.46Å; V200-A221 WeakPolarHBondContact O-CA 3.42Å; A221-Y223 HydrophobicContact CB-CE2 3.76Å
222	V	97.6	Very high	97.7	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.006	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	124	177	-169	0	0	0	0	108.6	C69 S70 M71 H199 V200 V220 C225 L228 L433	C69-V222 HydrophobicContact CB-CG1 4.05Å; S70-V222 CarbonylContact O-C 3.57Å; S70-V222 WeakPolarHBondContact O-CA 3.41Å; M71-V222 HydrophobicContact CG-CB 4.39Å; M71-V222 HydrophobicContact CG-CG1 3.81Å; M71-V222 HydrophobicContact CG-CG2 4.05Å; H199-V222 CarbonylContact C-O 3.53Å; H199-V222 WeakPolarHBondContact CA-O 3.35Å; V200-V222 HydrophobicContact CG2-CB 3.68Å; V200-V222 HydrophobicContact CG2-CG2 4Å; V200-V222 PolarHBondContact N-O 3.44Å; V200-V222 PolarHBondContact O-N 3.14Å; V220-V222 HydrophobicContact CG1-CG2 3.79Å; V222-C225 HydrophobicContact CG1-CB 3.54Å; V222-L228 HydrophobicContact CB-CD2 4.07Å; V222-L228 HydrophobicContact CG1-CD2 3.98Å; V222-L228 HydrophobicContact CG2-CD2 3.96Å; V222-L433 HydrophobicContact CG2-CD2 4.14Å
223	Y	97	Very high	97.8	Very high	25 Å²	25	15.1 Å²	15.1	10%	0.098	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	150.6	-176.9	-56.8	-87	0	0	0	111.5	C69 S70 T72 L100 H199 A221 C225	C69-Y223 WeakPolarHBondContact CA-O 3.34Å; S70-Y223 PolarHBondContact N-O 3.45Å; S70-Y223 PolarHBondContact O-N 2.71Å; T72-Y223 HydrophobicContact CG2-CE2 3.92Å; L100-Y223 HydrophobicContact CD2-CD1 4.42Å; L100-Y223 HydrophobicContact CD2-CE1 3.82Å; L100-Y223 HydrophobicContact CG-CE1 4.42Å; H199-Y223 HydrophobicContact CB-CD1 4.28Å; H199-Y223 WeakPolarHBondContact ND1-CA 3.46Å; H199-Y223 AromaticContact ND1-CD1 3.45Å; H199-Y223 WeakPolarHBondContact ND1-CD1 3.14Å; H199-Y223 AromaticContact ND1-CG 3.93Å; A221-Y223 HydrophobicContact CB-CE2 3.76Å; Y223-C225 PolarHBondContact O-N 3.01Å
224	N	96.5	Very high	97.9	Very high	73 Å²	73	15.7 Å²	15.7	39%	0.39	8%	0.084	S	C	.	.	S	Bend	trans	57.2	35.4	176.4	-54.9	-43.2	0	0	0	113.4	K198 H199	K198-N224 WeakPolarHBondContact CE-OD1 3.18Å; K198-N224 PolarHBondContact NZ-OD1 2.5Å; K198-N224 PolarHBondContact O-N 3.03Å; H199-N224 PolarHBondContact CE1-OD1 3.41Å; H199-N224 PolarHBondContact ND1-N 3.42Å
225	C	96.9	Very high	98	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.088	C	C	.	.			trans	-123	70.7	-171.6	-149.5	0	0	0	0	109.8	C69 K198 V222 Y223 S227 L228 A229	C69-C225 HydrophobicContact CB-CB 3.65Å; C69-C225 WeakPolarHBondContact CB-SG 3.36Å; C69-C225 WeakPolarHBondContact SG-CA 3.42Å; C69-C225 WeakPolarHBondContact SG-CB 3.45Å; C69-C225 CovalentContact SG-SG 2.04Å; C69-C225 PolarHBondContact SG-SG 2.8Å; K198-C225 CarbonylContact O-C 3.53Å; K198-C225 PolarHBondContact O-N 3.24Å; V222-C225 HydrophobicContact CG1-CB 3.54Å; Y223-C225 PolarHBondContact O-N 3.01Å; C225-S227 PolarHBondContact O-N 3.18Å; C225-L228 HydrophobicContact CB-CB 4.19Å; C225-L228 PolarHBondContact O-N 2.84Å; C225-A229 WeakPolarHBondContact O-CB 3.46Å; C225-A229 PolarHBondContact O-N 3.31Å
226	S	97	Very high	98	Very high	40 Å²	40	16 Å²	16	28%	0.28	9%	0.085	S	C	.	.	H	α-helix	trans	-65.3	-37.2	-172.5	-77.4	0	0	0	0	112.7	M197 L228 A229 M230	M197-S226 WeakPolarHBondContact O-CA 3.25Å; M197-S226 PolarHBondContact O-OG 2.69Å; S226-L228 VanDerWaalsContact C-N 3.34Å; S226-L228 PolarHBondContact O-N 2.97Å; S226-A229 PolarHBondContact O-N 3.07Å; S226-M230 WeakPolarHBondContact O-CB 3.26Å; S226-M230 VanDerWaalsContact O-CG 3.29Å; S226-M230 WeakPolarHBondContact O-CG 3.34Å; S226-M230 PolarHBondContact O-N 2.79Å
227	S	97.3	Very high	98	Very high	38 Å²	38	16.8 Å²	16.8	27%	0.266	9%	0.089	S	C	.	.	H	α-helix	trans	-62.5	-42.5	177.1	-58.2	0	0	0	0	111.8	D67 C225 D231	D67-S227 WeakPolarHBondContact OD2-CB 3.35Å; D67-S227 PolarHBondContact OD2-N 3.04Å; D67-S227 PolarHBondContact OD2-OG 2.91Å; C225-S227 PolarHBondContact O-N 3.18Å; S227-D231 WeakPolarHBondContact O-CB 3.37Å; S227-D231 PolarHBondContact O-N 3.1Å
228	L	98	Very high	98	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-66.4	-40.9	175.7	-172.4	70.7	0	0	0	111.8	V200 V222 C225 S226 D231 L232 L267 L278 I280 L433	V200-L228 HydrophobicContact CG2-CD2 3.78Å; V200-L228 HydrophobicContact CG2-CG 4.36Å; V222-L228 HydrophobicContact CB-CD2 4.07Å; V222-L228 HydrophobicContact CG1-CD2 3.98Å; V222-L228 HydrophobicContact CG2-CD2 3.96Å; C225-L228 HydrophobicContact CB-CB 4.19Å; C225-L228 PolarHBondContact O-N 2.84Å; S226-L228 VanDerWaalsContact C-N 3.34Å; S226-L228 PolarHBondContact O-N 2.97Å; L228-D231 PolarHBondContact O-N 2.84Å; L228-L232 PolarHBondContact O-N 3.41Å; L228-L267 HydrophobicContact CB-CD2 4.11Å; L228-L278 HydrophobicContact CD1-CD1 4.41Å; L228-I280 HydrophobicContact CD1-CD1 3.68Å; L228-I280 HydrophobicContact CD1-CG1 3.69Å; L228-I280 HydrophobicContact CG-CD1 4.19Å; L228-L433 HydrophobicContact CD1-CD1 4.19Å; L228-L433 HydrophobicContact CD2-CD1 4.39Å
229	A	98.6	Very high	98	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-66	-41.2	178.5	0	0	0	0	0	112.6	I194 M197 V200 C225 S226 D231 L232 Y233	I194-A229 HydrophobicContact CG2-CB 4.23Å; M197-A229 WeakPolarHBondContact O-CB 2.93Å; V200-A229 HydrophobicContact CG1-CB 3.74Å; C225-A229 WeakPolarHBondContact O-CB 3.46Å; C225-A229 PolarHBondContact O-N 3.31Å; S226-A229 PolarHBondContact O-N 3.07Å; A229-D231 VanDerWaalsContact C-N 3.33Å; A229-L232 PolarHBondContact O-N 3.41Å; A229-Y233 VanDerWaalsContact O-CB 3.32Å; A229-Y233 WeakPolarHBondContact O-CB 3.4Å; A229-Y233 PolarHBondContact O-N 2.71Å
230	M	98.1	Very high	98	Very high	80 Å²	80	17.6 Å²	17.6	39%	0.394	9%	0.092	S	C	.	.	H	α-helix	trans	-63.3	-40.4	172.7	-70	177.8	-156.1	0	0	111.7	M197 S226 Y233 K234	M197-M230 HydrophobicContact CE-CB 4.22Å; M197-M230 HydrophobicContact CE-CG 3.77Å; S226-M230 WeakPolarHBondContact O-CB 3.26Å; S226-M230 VanDerWaalsContact O-CG 3.29Å; S226-M230 WeakPolarHBondContact O-CG 3.34Å; S226-M230 PolarHBondContact O-N 2.79Å; M230-Y233 WeakPolarHBondContact O-CB 3.49Å; M230-Y233 PolarHBondContact O-N 2.78Å; M230-K234 PolarHBondContact O-N 3.47Å
231	D	98.6	Very high	97.9	Very high	3 Å²	3	20.1 Å²	20.1	2%	0.016	11%	0.108	C	C	.	.	H	α-helix	trans	-63.8	-46.1	176.8	-170.5	51.8	0	0	0	112.5	S227 L228 A229 Y233 K234 T259 I261 R292	S227-D231 WeakPolarHBondContact O-CB 3.37Å; S227-D231 PolarHBondContact O-N 3.1Å; L228-D231 PolarHBondContact O-N 2.84Å; A229-D231 VanDerWaalsContact C-N 3.33Å; D231-Y233 VanDerWaalsContact C-N 3.28Å; D231-Y233 PolarHBondContact O-N 3.02Å; D231-K234 WeakPolarHBondContact O-CB 3.47Å; D231-K234 PolarHBondContact O-N 3.42Å; D231-T259 WeakPolarHBondContact OD1-CB 3.21Å; D231-T259 PolarHBondContact OD1-OG1 3.31Å; D231-I261 HydrophobicContact CB-CD1 4.04Å; D231-R292 PolarHBondContact O-NH2 2.78Å; D231-R292 IonicContact OD1-CZ 3.72Å; D231-R292 IonicContact OD1-NH1 3.05Å; D231-R292 PolarHBondContact OD1-NH1 2.83Å; D231-R292 IonicContact OD1-NH2 2.87Å; D231-R292 PolarHBondContact OD1-NH2 2.78Å; D231-R292 IonicContact OD2-CZ 3.61Å; D231-R292 IonicContact OD2-NH1 2.78Å; D231-R292 PolarHBondContact OD2-NH1 3.39Å; D231-R292 IonicContact OD2-NH2 2.69Å; D231-R292 PolarHBondContact OD2-NH2 2.9Å; D231-R292 VanDerWaalsContact OD2-NH2 3.16Å
232	L	98.8	Very high	97.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-64.6	-33.6	174.7	-171.7	53.4	0	0	0	111.8	F192 I194 V200 I202 L228 A229 K234 I235 F236 I280	F192-L232 HydrophobicContact CB-CD2 4.13Å; F192-L232 HydrophobicContact CD1-CD1 4.01Å; F192-L232 HydrophobicContact CD2-CD1 4.08Å; F192-L232 HydrophobicContact CD2-CD2 3.67Å; F192-L232 HydrophobicContact CD2-CG 3.84Å; F192-L232 HydrophobicContact CE1-CD1 3.95Å; F192-L232 HydrophobicContact CE2-CD1 4.07Å; F192-L232 HydrophobicContact CE2-CD2 4.21Å; F192-L232 HydrophobicContact CE2-CG 3.86Å; F192-L232 HydrophobicContact CG-CD1 4.05Å; F192-L232 HydrophobicContact CG-CD2 3.97Å; F192-L232 HydrophobicContact CG-CG 4.26Å; F192-L232 HydrophobicContact CZ-CD1 3.98Å; F192-L232 HydrophobicContact CZ-CG 4.25Å; I194-L232 HydrophobicContact CD1-CB 4.13Å; I194-L232 HydrophobicContact CD1-CD2 4.35Å; I194-L232 HydrophobicContact CD1-CG 3.92Å; I194-L232 HydrophobicContact CG1-CB 4.37Å; I194-L232 HydrophobicContact CG1-CD2 3.87Å; I194-L232 HydrophobicContact CG1-CG 4.01Å; V200-L232 HydrophobicContact CB-CD2 4.01Å; V200-L232 HydrophobicContact CG1-CD2 3.86Å; I202-L232 HydrophobicContact CD1-CD1 4.37Å; I202-L232 HydrophobicContact CD1-CD2 3.99Å; I202-L232 HydrophobicContact CG1-CD2 4.01Å; L228-L232 PolarHBondContact O-N 3.41Å; A229-L232 PolarHBondContact O-N 3.41Å; L232-K234 VanDerWaalsContact C-N 3.26Å; L232-K234 PolarHBondContact O-N 3.42Å; L232-I235 HydrophobicContact CD1-CD1 4.31Å; L232-I235 WeakPolarHBondContact O-CA 2.83Å; L232-I235 WeakPolarHBondContact O-CB 3.25Å; L232-I235 PolarHBondContact O-N 3.34Å; L232-F236 PolarHBondContact O-N 2.95Å; L232-I280 HydrophobicContact CB-CD1 3.58Å; L232-I280 HydrophobicContact CD1-CD1 3.95Å; L232-I280 HydrophobicContact CD1-CG2 4.35Å; L232-I280 HydrophobicContact CG-CD1 4.19Å
233	Y	98.8	Very high	97.8	Very high	23 Å²	23	21.4 Å²	21.4	9%	0.09	12%	0.116	C	C	.	.	H	α-helix	trans	-64.2	-29.8	177.6	-173.7	-113.8	0	0	0	112.9	L56 R150 I194 M197 A229 M230 D231 I235 F236 Q237	L56-Y233 HydrophobicContact CD2-CD1 3.87Å; L56-Y233 HydrophobicContact CD2-CE1 3.8Å; R150-Y233 PolarHBondContact NH1-OH 2.67Å; R150-Y233 PolarHBondContact NH2-OH 3.02Å; I194-Y233 HydrophobicContact CD1-CD2 4.14Å; M197-Y233 VanDerWaalsContact CE-CB 3.46Å; M197-Y233 HydrophobicContact CE-CD1 3.64Å; M197-Y233 HydrophobicContact CE-CD2 4.24Å; M197-Y233 HydrophobicContact CE-CE1 4.35Å; M197-Y233 HydrophobicContact CE-CG 3.54Å; M197-Y233 HydrophobicContact SD-CD1 4.02Å; M197-Y233 HydrophobicContact SD-CD2 3.65Å; M197-Y233 HydrophobicContact SD-CE1 4.39Å; M197-Y233 HydrophobicContact SD-CE2 4.07Å; M197-Y233 HydrophobicContact SD-CG 3.59Å; M197-Y233 VanDerWaalsContact SD-CG 3.59Å; A229-Y233 VanDerWaalsContact O-CB 3.32Å; A229-Y233 WeakPolarHBondContact O-CB 3.4Å; A229-Y233 PolarHBondContact O-N 2.71Å; M230-Y233 WeakPolarHBondContact O-CB 3.49Å; M230-Y233 PolarHBondContact O-N 2.78Å; D231-Y233 VanDerWaalsContact C-N 3.28Å; D231-Y233 PolarHBondContact O-N 3.02Å; Y233-I235 PolarHBondContact O-N 3.18Å; Y233-F236 HydrophobicContact CD2-CB 4.2Å; Y233-F236 AromaticContact CD2-CD1 3.85Å; Y233-F236 HydrophobicContact CD2-CD1 3.85Å; Y233-F236 HydrophobicContact CD2-CG 4.31Å; Y233-F236 AromaticContact CE2-CD1 3.71Å; Y233-F236 HydrophobicContact CE2-CD1 3.71Å; Y233-F236 HydrophobicContact CE2-CE1 4.23Å; Y233-F236 WeakPolarHBondContact O-CB 3.29Å; Y233-F236 PolarHBondContact O-N 2.86Å; Y233-Q237 HydrophobicContact CD1-CG 3.79Å; Y233-Q237 HydrophobicContact CD2-CG 4.34Å; Y233-Q237 HydrophobicContact CE1-CG 3.52Å; Y233-Q237 HydrophobicContact CE2-CG 4.09Å; Y233-Q237 HydrophobicContact CG-CG 4.22Å; Y233-Q237 WeakPolarHBondContact O-CB 3.14Å; Y233-Q237 VanDerWaalsContact O-CG 3.31Å; Y233-Q237 WeakPolarHBondContact O-CG 3.37Å; Y233-Q237 PolarHBondContact O-N 3.05Å; Y233-Q237 PolarHBondContact OH-NE2 3.48Å
234	K	98.6	Very high	97.8	Very high	27 Å²	27	24.4 Å²	24.4	12%	0.117	13%	0.131	C	C	.	.	H	α-helix	trans	-60	-38	171.7	-65.4	175.6	176.3	-178.7	0	111.1	D59 M230 D231 L232 S238 Y257 S258	D59-K234 IonicContact OD1-NZ 3.46Å; D59-K234 IonicContact OD2-NZ 2.81Å; M230-K234 PolarHBondContact O-N 3.47Å; D231-K234 WeakPolarHBondContact O-CB 3.47Å; D231-K234 PolarHBondContact O-N 3.42Å; L232-K234 VanDerWaalsContact C-N 3.26Å; L232-K234 PolarHBondContact O-N 3.42Å; K234-S238 PolarHBondContact O-N 2.92Å; K234-Y257 WeakPolarHBondContact O-CD1 3.49Å; K234-S258 VanDerWaalsContact CD-O 3.28Å; K234-S258 WeakPolarHBondContact CD-O 3.43Å; K234-S258 WeakPolarHBondContact CE-O 3.23Å; K234-S258 PolarHBondContact NZ-O 2.87Å
235	I	98.6	Very high	97.6	Very high	16 Å²	16	25.9 Å²	25.9	8%	0.082	15%	0.145	C	C	.	.	H	α-helix	trans	-70.3	-44.8	173.3	-57.9	177	0	0	0	110.7	F192 L232 Y233 Q237 S238 Y239 I280 V431	F192-I235 HydrophobicContact CE1-CG2 4.36Å; L232-I235 HydrophobicContact CD1-CD1 4.31Å; L232-I235 WeakPolarHBondContact O-CA 2.83Å; L232-I235 WeakPolarHBondContact O-CB 3.25Å; L232-I235 PolarHBondContact O-N 3.34Å; Y233-I235 PolarHBondContact O-N 3.18Å; I235-Q237 VanDerWaalsContact C-N 3.29Å; I235-Q237 PolarHBondContact O-N 3.21Å; I235-S238 PolarHBondContact O-N 3.08Å; I235-S238 PolarHBondContact O-OG 2.77Å; I235-Y239 HydrophobicContact CG2-CE1 4.16Å; I235-Y239 HydrophobicContact CG2-CE2 3.74Å; I235-Y239 WeakPolarHBondContact CG2-OH 3.18Å; I235-Y239 PolarHBondContact O-N 3.38Å; I235-I280 HydrophobicContact CD1-CG2 3.66Å; I235-V431 HydrophobicContact CD1-CG1 3.98Å; I235-V431 HydrophobicContact CG2-CG1 3.94Å
236	F	98.8	Very high	97.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-55.3	-45.8	175.1	176.5	-92.2	0	0	0	112.1	N109 V111 R150 V152 F192 I194 L232 Y233 S238 Y239 W240	N109-F236 HydrophobicContact CB-CD1 4.4Å; N109-F236 HydrophobicContact CB-CD2 3.87Å; N109-F236 HydrophobicContact CB-CE1 4.19Å; N109-F236 HydrophobicContact CB-CE2 3.63Å; N109-F236 HydrophobicContact CB-CG 4.26Å; N109-F236 HydrophobicContact CB-CZ 3.81Å; V111-F236 HydrophobicContact CG2-CD2 3.51Å; V111-F236 HydrophobicContact CG2-CE2 3.95Å; R150-F236 HydrophobicContact CB-CZ 3.79Å; V152-F236 HydrophobicContact CG2-CD2 4.36Å; V152-F236 HydrophobicContact CG2-CE2 3.6Å; V152-F236 HydrophobicContact CG2-CZ 4.04Å; F192-F236 HydrophobicContact CE2-CB 4Å; F192-F236 HydrophobicContact CE2-CD2 4.22Å; F192-F236 HydrophobicContact CZ-CB 3.98Å; F192-F236 HydrophobicContact CZ-CD2 4.46Å; I194-F236 HydrophobicContact CD1-CB 3.96Å; L232-F236 PolarHBondContact O-N 2.95Å; Y233-F236 HydrophobicContact CD2-CB 4.2Å; Y233-F236 AromaticContact CD2-CD1 3.85Å; Y233-F236 HydrophobicContact CD2-CD1 3.85Å; Y233-F236 HydrophobicContact CD2-CG 4.31Å; Y233-F236 AromaticContact CE2-CD1 3.71Å; Y233-F236 HydrophobicContact CE2-CD1 3.71Å; Y233-F236 HydrophobicContact CE2-CE1 4.23Å; Y233-F236 WeakPolarHBondContact O-CB 3.29Å; Y233-F236 PolarHBondContact O-N 2.86Å; F236-S238 VanDerWaalsContact C-N 3.31Å; F236-S238 PolarHBondContact O-N 3.28Å; F236-Y239 PolarHBondContact O-N 2.83Å; F236-W240 HydrophobicContact CD1-CB 4.46Å; F236-W240 HydrophobicContact CE1-CB 4.07Å; F236-W240 HydrophobicContact CE1-CD2 4.25Å; F236-W240 HydrophobicContact CE1-CE3 4.14Å; F236-W240 HydrophobicContact CE1-CG 4.23Å; F236-W240 HydrophobicContact CZ-CD2 4.25Å; F236-W240 AromaticContact CZ-CE3 3.68Å; F236-W240 HydrophobicContact CZ-CE3 3.68Å; F236-W240 HydrophobicContact CZ-CZ3 4.25Å; F236-W240 WeakPolarHBondContact O-CB 3.29Å; F236-W240 PolarHBondContact O-N 3.25Å
237	Q	98.1	Very high	97	Very high	17 Å²	17	32.2 Å²	32.2	8%	0.079	18%	0.177	C	C	.	.	H	α-helix	trans	-64.4	-35.5	-179.3	-75.5	-58.8	-44.9	0	0	112.2	L56 Y233 I235 Y239 W240 V241 Y257	L56-Q237 HydrophobicContact CD2-CG 4.12Å; Y233-Q237 HydrophobicContact CD1-CG 3.79Å; Y233-Q237 HydrophobicContact CD2-CG 4.34Å; Y233-Q237 HydrophobicContact CE1-CG 3.52Å; Y233-Q237 HydrophobicContact CE2-CG 4.09Å; Y233-Q237 HydrophobicContact CG-CG 4.22Å; Y233-Q237 WeakPolarHBondContact O-CB 3.14Å; Y233-Q237 VanDerWaalsContact O-CG 3.31Å; Y233-Q237 WeakPolarHBondContact O-CG 3.37Å; Y233-Q237 PolarHBondContact O-N 3.05Å; Y233-Q237 PolarHBondContact OH-NE2 3.48Å; I235-Q237 VanDerWaalsContact C-N 3.29Å; I235-Q237 PolarHBondContact O-N 3.21Å; Q237-Y239 VanDerWaalsContact C-N 3.31Å; Q237-Y239 PolarHBondContact O-N 3.37Å; Q237-W240 PolarHBondContact O-N 3.17Å; Q237-V241 WeakPolarHBondContact O-CB 3.48Å; Q237-V241 WeakPolarHBondContact O-CG2 3.18Å; Q237-V241 PolarHBondContact O-N 3.3Å; Q237-Y257 HydrophobicContact CB-CE1 4Å
238	S	97.5	Very high	96.9	Very high	4 Å²	4	34.5 Å²	34.5	3%	0.028	19%	0.193	C	C	.	.	H	α-helix	trans	-61.5	-43.6	175.2	80.7	0	0	0	0	110.3	K234 I235 F236 M242	K234-S238 PolarHBondContact O-N 2.92Å; I235-S238 PolarHBondContact O-N 3.08Å; I235-S238 PolarHBondContact O-OG 2.77Å; F236-S238 VanDerWaalsContact C-N 3.31Å; F236-S238 PolarHBondContact O-N 3.28Å; S238-M242 WeakPolarHBondContact O-CB 3.41Å; S238-M242 WeakPolarHBondContact O-CG 3.11Å; S238-M242 PolarHBondContact O-N 3.3Å
239	Y	98.4	Very high	96.7	Very high	3 Å²	3	36.1 Å²	36.1	1%	0.012	20%	0.201	C	C	.	.	H	α-helix	trans	-65.7	-42.9	174.9	-54.4	-25	0	0	0	112.5	V111 V178 F180 L188 S190 F192 I235 F236 Q237 M242 G243 F287 A429	V111-Y239 HydrophobicContact CG1-CD2 4Å; V111-Y239 HydrophobicContact CG1-CE2 4.1Å; V111-Y239 HydrophobicContact CG2-CD2 4.33Å; V178-Y239 VanDerWaalsContact CG2-O 3.31Å; V178-Y239 WeakPolarHBondContact CG2-O 3.35Å; F180-Y239 HydrophobicContact CE2-CD1 4.27Å; F180-Y239 AromaticContact CZ-CD1 3.89Å; F180-Y239 HydrophobicContact CZ-CD1 3.89Å; F180-Y239 AromaticContact CZ-CE1 3.91Å; F180-Y239 HydrophobicContact CZ-CE1 3.91Å; L188-Y239 HydrophobicContact CD1-CD1 4.21Å; L188-Y239 HydrophobicContact CD1-CD2 3.65Å; L188-Y239 HydrophobicContact CD1-CE2 4.03Å; L188-Y239 HydrophobicContact CD1-CG 3.74Å; L188-Y239 HydrophobicContact CG-CE2 4.48Å; S190-Y239 PolarHBondContact OG-OH 2.99Å; F192-Y239 AromaticContact CE1-CE2 3.92Å; F192-Y239 HydrophobicContact CE1-CE2 3.92Å; F192-Y239 HydrophobicContact CZ-CE2 4.31Å; I235-Y239 HydrophobicContact CG2-CE1 4.16Å; I235-Y239 HydrophobicContact CG2-CE2 3.74Å; I235-Y239 WeakPolarHBondContact CG2-OH 3.18Å; I235-Y239 PolarHBondContact O-N 3.38Å; F236-Y239 PolarHBondContact O-N 2.83Å; Q237-Y239 VanDerWaalsContact C-N 3.31Å; Q237-Y239 PolarHBondContact O-N 3.37Å; Y239-M242 PolarHBondContact O-N 2.78Å; Y239-G243 PolarHBondContact O-N 3.35Å; Y239-F287 HydrophobicContact CD1-CD1 4.07Å; Y239-F287 HydrophobicContact CD1-CE1 4.01Å; Y239-F287 HydrophobicContact CE1-CD1 4.04Å; Y239-F287 HydrophobicContact CE1-CE1 4.38Å; Y239-A429 HydrophobicContact CE1-CB 4.12Å
240	W	98.3	Very high	96.5	Very high	19 Å²	19	37.5 Å²	37.5	7%	0.072	21%	0.21	C	C	.	.	H	α-helix	trans	-61.1	-48.4	-178	-169.4	-105.7	0	0	0	112.2	R150 V152 Q174 R176 F236 Q237 G243	R150-W240 HydrophobicContact CB-CE3 4.35Å; R150-W240 HydrophobicContact CB-CH2 3.79Å; R150-W240 HydrophobicContact CB-CZ2 4.47Å; R150-W240 HydrophobicContact CB-CZ3 3.71Å; R150-W240 HydrophobicContact CG-CH2 3.7Å; R150-W240 HydrophobicContact CG-CZ2 3.98Å; R150-W240 HydrophobicContact CG-CZ3 4.13Å; V152-W240 HydrophobicContact CG2-CE3 3.78Å; V152-W240 HydrophobicContact CG2-CZ3 4.2Å; Q174-W240 HydrophobicContact CB-CH2 3.72Å; Q174-W240 HydrophobicContact CB-CZ2 4.22Å; R176-W240 HydrophobicContact CB-CD2 4.41Å; R176-W240 HydrophobicContact CB-CE3 3.6Å; R176-W240 HydrophobicContact CB-CH2 4.07Å; R176-W240 HydrophobicContact CB-CZ3 3.4Å; R176-W240 HydrophobicContact CG-CE3 4.1Å; R176-W240 HydrophobicContact CG-CZ3 4.35Å; F236-W240 HydrophobicContact CD1-CB 4.46Å; F236-W240 HydrophobicContact CE1-CB 4.07Å; F236-W240 HydrophobicContact CE1-CD2 4.25Å; F236-W240 HydrophobicContact CE1-CE3 4.14Å; F236-W240 HydrophobicContact CE1-CG 4.23Å; F236-W240 HydrophobicContact CZ-CD2 4.25Å; F236-W240 AromaticContact CZ-CE3 3.68Å; F236-W240 HydrophobicContact CZ-CE3 3.68Å; F236-W240 HydrophobicContact CZ-CZ3 4.25Å; F236-W240 WeakPolarHBondContact O-CB 3.29Å; F236-W240 PolarHBondContact O-N 3.25Å; Q237-W240 PolarHBondContact O-N 3.17Å; W240-G243 PolarHBondContact O-N 3.11Å
241	V	97.1	Very high	96.1	Very high	54 Å²	54	42.5 Å²	42.5	33%	0.327	23%	0.233	S	C	.	.	H	α-helix	trans	-71.9	-42.1	179.7	179.2	0	0	0	0	110.9	Q237 G243 Q244	Q237-V241 WeakPolarHBondContact O-CB 3.48Å; Q237-V241 WeakPolarHBondContact O-CG2 3.18Å; Q237-V241 PolarHBondContact O-N 3.3Å; V241-G243 PolarHBondContact O-N 2.77Å; V241-Q244 WeakPolarHBondContact O-CB 3.14Å; V241-Q244 WeakPolarHBondContact O-CG 3.39Å; V241-Q244 PolarHBondContact O-N 2.73Å
242	M	96.9	Very high	95.9	Very high	16 Å²	16	48 Å²	48	8%	0.079	27%	0.269	C	S	.	.	H	α-helix	trans	-68.8	-13.6	176.8	-65.3	-58.1	100.4	0	0	113.2	V178 L183 S238 Y239 Q244 S247 L249 W253 F287	V178-M242 HydrophobicContact CG1-CB 4.41Å; L183-M242 HydrophobicContact CD1-CB 4.11Å; S238-M242 WeakPolarHBondContact O-CB 3.41Å; S238-M242 WeakPolarHBondContact O-CG 3.11Å; S238-M242 PolarHBondContact O-N 3.3Å; Y239-M242 PolarHBondContact O-N 2.78Å; M242-Q244 VanDerWaalsContact C-N 3.28Å; M242-S247 WeakPolarHBondContact O-CB 3.28Å; M242-S247 PolarHBondContact O-OG 2.67Å; M242-L249 HydrophobicContact CG-CD2 4.29Å; M242-L249 HydrophobicContact SD-CD2 4.07Å; M242-W253 HydrophobicContact CG-CH2 4.04Å; M242-W253 HydrophobicContact SD-CH2 4.39Å; M242-F287 HydrophobicContact CB-CE1 4.02Å; M242-F287 HydrophobicContact CB-CZ 4.15Å; M242-F287 HydrophobicContact CG-CE1 3.78Å; M242-F287 HydrophobicContact CG-CZ 4.13Å
243	G	96.4	Very high	95.7	Very high	11 Å²	11	49.4 Å²	49.4	11%	0.113	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	2.1	170	0	0	0	0	0	114.6	R176 Y239 W240 V241	R176-G243 VanDerWaalsContact CD-C 3.5Å; R176-G243 WeakPolarHBondContact CD-O 3.38Å; R176-G243 PolarHBondContact NH1-O 3.43Å; Y239-G243 PolarHBondContact O-N 3.35Å; W240-G243 PolarHBondContact O-N 3.11Å; V241-G243 PolarHBondContact O-N 2.77Å
244	Q	96	Very high	95.5	Very high	88 Å²	88	51.1 Å²	51.1	41%	0.411	29%	0.288	S	S	.	.	S	Bend	trans	-70.5	150.1	172.3	-67.2	-72.7	5.3	0	0	111.2	R176 V241 M242 N246 S247	R176-Q244 VanDerWaalsContact NH1-CD 3.31Å; V241-Q244 WeakPolarHBondContact O-CB 3.14Å; V241-Q244 WeakPolarHBondContact O-CG 3.39Å; V241-Q244 PolarHBondContact O-N 2.73Å; M242-Q244 VanDerWaalsContact C-N 3.28Å; Q244-N246 PolarHBondContact O-N 2.97Å; Q244-S247 WeakPolarHBondContact O-CB 3.32Å; Q244-S247 PolarHBondContact O-N 2.97Å; Q244-S247 PolarHBondContact O-OG 3.47Å
245	P	91.9	Very high	95.4	Very high	104 Å²	104	53.9 Å²	53.9	68%	0.675	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	138.2	175.1	-24.3	34	0	0	0	111.5	S247	P245-S247 PolarHBondContact O-N 3.39Å; P245-S247 VanDerWaalsContact O-N 3.15Å
246	N	88.9	Confident	95.1	Very high	159 Å²	159	56.5 Å²	56.5	85%	0.85	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	21.2	178.8	-54.6	-38.3	0	0	0	115.3	Q244	Q244-N246 PolarHBondContact O-N 2.97Å
247	S	93.9	Very high	95	Very high	15 Å²	15	57.6 Å²	57.6	11%	0.105	33%	0.334	C	S	.	.			trans	-59.8	150	171.6	63.4	0	0	0	0	111.8	R182 M242 Q244 P245	R182-S247 VanDerWaalsContact CZ-O 3.29Å; R182-S247 PolarHBondContact NH1-O 3.48Å; R182-S247 PolarHBondContact NH2-O 3.39Å; R182-S247 PolarHBondContact NH2-OG 3.04Å; M242-S247 WeakPolarHBondContact O-CB 3.28Å; M242-S247 PolarHBondContact O-OG 2.67Å; Q244-S247 WeakPolarHBondContact O-CB 3.32Å; Q244-S247 PolarHBondContact O-N 2.97Å; Q244-S247 PolarHBondContact O-OG 3.47Å; P245-S247 PolarHBondContact O-N 3.39Å; P245-S247 VanDerWaalsContact O-N 3.15Å
248	S	94.2	Very high	95	Very high	85 Å²	85	58.8 Å²	58.8	59%	0.594	35%	0.345	S	S	*	.			trans	-132.5	152.8	169.5	57.7	0	0	0	0	109.3
249	L	95.3	Very high	94.9	Very high	34 Å²	34	58.9 Å²	58.9	18%	0.178	35%	0.345	C	S	.	.			trans	-65	124.9	175.9	-59.5	-176	0	0	0	109.1	L183 T184 M242 W253 F287	L183-L249 HydrophobicContact CB-CD2 4.29Å; L183-L249 HydrophobicContact CB-CG 4.47Å; L183-L249 HydrophobicContact CD2-CD2 4.17Å; L183-L249 HydrophobicContact CD2-CG 4.3Å; L183-L249 WeakPolarHBondContact O-CD1 3.48Å; T184-L249 HydrophobicContact CG2-CD1 4.23Å; M242-L249 HydrophobicContact CG-CD2 4.29Å; M242-L249 HydrophobicContact SD-CD2 4.07Å; L249-W253 HydrophobicContact CD2-CZ2 4.36Å; L249-F287 HydrophobicContact CD1-CD2 4.31Å; L249-F287 HydrophobicContact CD1-CE2 4.2Å; L249-F287 HydrophobicContact CD2-CD2 3.89Å; L249-F287 HydrophobicContact CD2-CE1 4.11Å; L249-F287 HydrophobicContact CD2-CE2 3.35Å; L249-F287 HydrophobicContact CD2-CG 4.49Å; L249-F287 HydrophobicContact CD2-CZ 3.49Å; L249-F287 VanDerWaalsContact CD2-CZ 3.49Å; L249-F287 HydrophobicContact CG-CE2 4.39Å
250	P	93.6	Very high	94.8	Very high	30 Å²	30	65 Å²	65	20%	0.195	38%	0.377	C	S	.	.			trans	-69.3	141.6	-178.6	30	-35.8	0	0	0	110.5	P252 W253 P254	P250-P252 CarbonylContact C-O 3.54Å; P250-W253 HydrophobicContact CG-CD2 3.46Å; P250-W253 VanDerWaalsContact CG-CD2 3.46Å; P250-W253 HydrophobicContact CG-CE3 3.44Å; P250-W253 VanDerWaalsContact CG-CE3 3.44Å; P250-W253 HydrophobicContact CG-CG 3.99Å; P250-W253 HydrophobicContact CG-CH2 4Å; P250-W253 HydrophobicContact CG-CZ2 4.02Å; P250-W253 HydrophobicContact CG-CZ3 3.72Å; P250-P254 HydrophobicContact CB-CG 4.46Å
251	Q	90.4	Very high	94.8	Very high	185 Å²	185	65.2 Å²	65.2	86%	0.864	38%	0.38	S	S	*	.	S	Bend	trans	-134.8	109.7	173.9	-66.7	-166.5	2.6	0	0	109.6
252	P	92.8	Very high	94.9	Very high	119 Å²	119	63.5 Å²	63.5	77%	0.773	37%	0.369	S	S	*	.	S	Bend	cis	-70.3	166.3	-8.7	32.8	-36.3	0	0	0	112.6	P250	P250-P252 CarbonylContact C-O 3.54Å
253	W	95.2	Very high	94.9	Very high	28 Å²	28	65.6 Å²	65.6	11%	0.106	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-61.6	136	168.4	-83.8	90.8	0	0	0	110.8	M242 L249 P250 Y257 S286 F287 P289	M242-W253 HydrophobicContact CG-CH2 4.04Å; M242-W253 HydrophobicContact SD-CH2 4.39Å; L249-W253 HydrophobicContact CD2-CZ2 4.36Å; P250-W253 HydrophobicContact CG-CD2 3.46Å; P250-W253 VanDerWaalsContact CG-CD2 3.46Å; P250-W253 HydrophobicContact CG-CE3 3.44Å; P250-W253 VanDerWaalsContact CG-CE3 3.44Å; P250-W253 HydrophobicContact CG-CG 3.99Å; P250-W253 HydrophobicContact CG-CH2 4Å; P250-W253 HydrophobicContact CG-CZ2 4.02Å; P250-W253 HydrophobicContact CG-CZ3 3.72Å; W253-Y257 HydrophobicContact CE3-CD1 4.4Å; W253-Y257 AromaticContact CE3-CD2 3.78Å; W253-Y257 HydrophobicContact CE3-CD2 3.78Å; W253-Y257 HydrophobicContact CE3-CE2 4.24Å; W253-Y257 AromaticContact CE3-CG 3.87Å; W253-Y257 HydrophobicContact CE3-CG 3.87Å; W253-Y257 HydrophobicContact CZ3-CD1 4.29Å; W253-Y257 HydrophobicContact CZ3-CD2 4.2Å; W253-Y257 HydrophobicContact CZ3-CE1 4.38Å; W253-Y257 HydrophobicContact CZ3-CE2 4.29Å; W253-Y257 HydrophobicContact CZ3-CG 4.2Å; W253-S286 PolarHBondContact NE1-O 2.89Å; W253-F287 HydrophobicContact CH2-CD1 4.17Å; W253-F287 HydrophobicContact CH2-CE1 4.48Å; W253-F287 HydrophobicContact CZ2-CD1 4.13Å; W253-F287 HydrophobicContact CZ2-CG 4.38Å; W253-P289 HydrophobicContact CB-CB 4.04Å; W253-P289 HydrophobicContact CG-CB 4.47Å
254	P	95.3	Very high	94.9	Very high	60 Å²	60	70.5 Å²	70.5	39%	0.39	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-64.4	150.3	178.9	-21.5	33	0	0	0	112.6	P250 N256 Y257	P250-P254 HydrophobicContact CB-CG 4.46Å; P254-N256 WeakPolarHBondContact CB-OD1 3.38Å; P254-N256 PolarHBondContact O-N 2.85Å; P254-N256 VanDerWaalsContact O-N 3.12Å; P254-N256 PolarHBondContact O-OD1 3.12Å; P254-Y257 HydrophobicContact CB-CD2 4.12Å; P254-Y257 HydrophobicContact CB-CE2 4.3Å; P254-Y257 HydrophobicContact CG-CD2 4.23Å; P254-Y257 HydrophobicContact CG-CE2 4.13Å; P254-Y257 PolarHBondContact O-N 2.81Å; P254-Y257 VanDerWaalsContact O-N 3.09Å
255	A	94.6	Very high	94.9	Very high	84 Å²	84	72.6 Å²	72.6	69%	0.694	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-59.5	-28.6	-172	0	0	0	0	0	114	Y257 S258	A255-Y257 PolarHBondContact O-N 3.37Å; A255-S258 WeakPolarHBondContact O-CB 3.41Å; A255-S258 PolarHBondContact O-N 2.96Å; A255-S258 PolarHBondContact O-OG 3.24Å
256	N	94.3	Very high	95.1	Very high	71 Å²	71	69.5 Å²	69.5	38%	0.38	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-64.5	-18.3	178.9	70.1	-31.1	0	0	0	114.1	L56 P254	L56-N256 HydrophobicContact CD1-CB 3.55Å; L56-N256 WeakPolarHBondContact CD1-ND2 3.27Å; P254-N256 WeakPolarHBondContact CB-OD1 3.38Å; P254-N256 PolarHBondContact O-N 2.85Å; P254-N256 VanDerWaalsContact O-N 3.12Å; P254-N256 PolarHBondContact O-OD1 3.12Å
257	Y	96.1	Very high	95.5	Very high	24 Å²	24	62.9 Å²	62.9	9%	0.094	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-86.9	-12	172	-62.8	-79.9	0	0	0	112.9	K234 Q237 W253 P254 A255 P289	K234-Y257 WeakPolarHBondContact O-CD1 3.49Å; Q237-Y257 HydrophobicContact CB-CE1 4Å; W253-Y257 HydrophobicContact CE3-CD1 4.4Å; W253-Y257 AromaticContact CE3-CD2 3.78Å; W253-Y257 HydrophobicContact CE3-CD2 3.78Å; W253-Y257 HydrophobicContact CE3-CE2 4.24Å; W253-Y257 AromaticContact CE3-CG 3.87Å; W253-Y257 HydrophobicContact CE3-CG 3.87Å; W253-Y257 HydrophobicContact CZ3-CD1 4.29Å; W253-Y257 HydrophobicContact CZ3-CD2 4.2Å; W253-Y257 HydrophobicContact CZ3-CE1 4.38Å; W253-Y257 HydrophobicContact CZ3-CE2 4.29Å; W253-Y257 HydrophobicContact CZ3-CG 4.2Å; P254-Y257 HydrophobicContact CB-CD2 4.12Å; P254-Y257 HydrophobicContact CB-CE2 4.3Å; P254-Y257 HydrophobicContact CG-CD2 4.23Å; P254-Y257 HydrophobicContact CG-CE2 4.13Å; P254-Y257 PolarHBondContact O-N 2.81Å; P254-Y257 VanDerWaalsContact O-N 3.09Å; A255-Y257 PolarHBondContact O-N 3.37Å; Y257-P289 WeakPolarHBondContact O-CG 3.49Å
258	S	96.7	Very high	95.5	Very high	42 Å²	42	66.9 Å²	66.9	29%	0.294	37%	0.371	S	S	.	.			trans	-67.6	151.4	-179.2	-65.8	0	0	0	0	112.2	K234 A255 S291	K234-S258 VanDerWaalsContact CD-O 3.28Å; K234-S258 WeakPolarHBondContact CD-O 3.43Å; K234-S258 WeakPolarHBondContact CE-O 3.23Å; K234-S258 PolarHBondContact NZ-O 2.87Å; A255-S258 WeakPolarHBondContact O-CB 3.41Å; A255-S258 PolarHBondContact O-N 2.96Å; A255-S258 PolarHBondContact O-OG 3.24Å; S258-S291 VanDerWaalsContact CA-OG 3.26Å; S258-S291 WeakPolarHBondContact CA-OG 3.21Å; S258-S291 VanDerWaalsContact CB-OG 3.29Å; S258-S291 WeakPolarHBondContact CB-OG 3.33Å; S258-S291 PolarHBondContact OG-OG 3.24Å
259	T	97	Very high	95.4	Very high	5 Å²	5	62.9 Å²	62.9	3%	0.031	34%	0.343	C	S	.	.			trans	-123.4	147.8	177.6	-173.3	0	0	0	0	112.3	D231 I261 S291 R292	D231-T259 WeakPolarHBondContact OD1-CB 3.21Å; D231-T259 PolarHBondContact OD1-OG1 3.31Å; T259-I261 VanDerWaalsContact CG2-O 3.32Å; T259-I261 WeakPolarHBondContact CG2-O 3.29Å; T259-I261 PolarHBondContact OG1-N 3.43Å; T259-I261 PolarHBondContact OG1-O 3.08Å; T259-S291 WeakPolarHBondContact CG2-O 3.43Å; T259-S291 PolarHBondContact N-OG 3.39Å; T259-S291 VanDerWaalsContact N-OG 3.1Å; T259-S291 WeakPolarHBondContact O-CB 3.45Å; T259-R292 HydrophobicContact CG2-CB 4.46Å
260	N	96.6	Very high	95.1	Very high	131 Å²	131	64.4 Å²	64.4	70%	0.701	35%	0.348	S	S	*	.	S	Bend	trans	-94.9	-3.7	166.9	-62.2	-35.2	0	0	0	111.9
261	I	97.9	Very high	94.7	Very high	25 Å²	25	64.4 Å²	64.4	13%	0.128	35%	0.346	C	S	.	.			trans	-103.9	106.2	-179.1	-60.7	166.7	0	0	0	108.1	D231 T259 H265 L267	D231-I261 HydrophobicContact CB-CD1 4.04Å; T259-I261 VanDerWaalsContact CG2-O 3.32Å; T259-I261 WeakPolarHBondContact CG2-O 3.29Å; T259-I261 PolarHBondContact OG1-N 3.43Å; T259-I261 PolarHBondContact OG1-O 3.08Å; I261-H265 WeakPolarHBondContact CA-O 3.3Å; I261-L267 HydrophobicContact CD1-CB 4.04Å; I261-L267 HydrophobicContact CD1-CD1 4.36Å; I261-L267 HydrophobicContact CD1-CD2 4.18Å; I261-L267 HydrophobicContact CD1-CG 4.43Å; I261-L267 HydrophobicContact CG1-CB 4.09Å; I261-L267 HydrophobicContact CG2-CB 3.75Å
262	N	98.1	Very high	94.2	Very high	17 Å²	17	61.3 Å²	61.3	9%	0.091	34%	0.335	C	S	.	.	S	Bend	trans	-151.4	-179.7	-178.2	54.1	52.6	0	0	0	110.4	Q264 H265 P266 S291 T293	N262-Q264 PolarHBondContact O-N 3.03Å; N262-Q264 PolarHBondContact OD1-N 3.13Å; N262-Q264 VanDerWaalsContact OD1-N 3.14Å; N262-Q264 PolarHBondContact OD1-OE1 3.3Å; N262-H265 PolarHBondContact N-O 3.28Å; N262-H265 VanDerWaalsContact N-O 3.09Å; N262-H265 CarbonylContact O-C 3.5Å; N262-H265 PolarHBondContact O-N 2.71Å; N262-H265 VanDerWaalsContact O-N 3.16Å; N262-H265 PolarHBondContact OD1-N 3.4Å; N262-H265 PolarHBondContact OD1-ND1 2.99Å; N262-P266 VanDerWaalsContact O-CA 3.24Å; N262-P266 WeakPolarHBondContact O-CA 3.49Å; N262-S291 PolarHBondContact ND2-O 3.47Å; N262-T293 WeakPolarHBondContact CB-OG1 3.44Å
263	K	97.1	Very high	93.5	Very high	61 Å²	61	62 Å²	62	27%	0.265	33%	0.333	S	S	.	.	S	Bend	trans	-53.8	-37.8	178.8	174.4	-179.2	160.1	-163.5	0	113.7	Y279 T293 E297 S301	K263-Y279 HydrophobicContact CB-CE1 4.11Å; K263-Y279 HydrophobicContact CB-CE2 4.04Å; K263-Y279 HydrophobicContact CG-CE1 4.47Å; K263-T293 HydrophobicContact CB-CG2 4Å; K263-T293 WeakPolarHBondContact CB-OG1 3.31Å; K263-T293 PolarHBondContact N-OG1 3.03Å; K263-E297 WeakPolarHBondContact CD-OE1 3.16Å; K263-E297 IonicContact NZ-OE1 3.67Å; K263-E297 PolarHBondContact NZ-OE1 3.04Å; K263-S301 WeakPolarHBondContact CE-OG 3.05Å; K263-S301 PolarHBondContact NZ-OG 2.69Å
264	Q	96.5	Very high	93	Very high	114 Å²	114	61.8 Å²	61.8	53%	0.533	33%	0.333	S	S	.	.	S	Bend	trans	-77.6	-33.8	-179	-66.3	73.1	21.2	0	0	111.7	N262	N262-Q264 PolarHBondContact O-N 3.03Å; N262-Q264 PolarHBondContact OD1-N 3.13Å; N262-Q264 VanDerWaalsContact OD1-N 3.14Å; N262-Q264 PolarHBondContact OD1-OE1 3.3Å
265	H	96.7	Very high	92.7	Very high	132 Å²	132	62 Å²	62	61%	0.611	34%	0.336	S	S	*	.	S	Bend	trans	-128.3	72.8	179.6	-53.6	87.9	0	0	0	109.3	I261 N262	I261-H265 WeakPolarHBondContact CA-O 3.3Å; N262-H265 PolarHBondContact N-O 3.28Å; N262-H265 VanDerWaalsContact N-O 3.09Å; N262-H265 CarbonylContact O-C 3.5Å; N262-H265 PolarHBondContact O-N 2.71Å; N262-H265 VanDerWaalsContact O-N 3.16Å; N262-H265 PolarHBondContact OD1-N 3.4Å; N262-H265 PolarHBondContact OD1-ND1 2.99Å
266	P	96.8	Very high	92.5	Very high	39 Å²	39	58 Å²	58	25%	0.253	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-71.7	150.3	-178.1	30.6	-35.9	0	0	0	110.4	N262 L268 Y279	N262-P266 VanDerWaalsContact O-CA 3.24Å; N262-P266 WeakPolarHBondContact O-CA 3.49Å; P266-L268 PolarHBondContact O-N 2.91Å; P266-Y279 HydrophobicContact CB-CD1 4.17Å
267	L	96.3	Very high	92.5	Very high	20 Å²	20	55.2 Å²	55.2	11%	0.105	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	127.4	173.4	172.6	67.4	0	0	0	108.7	L228 I261 V269 S277 L278	L228-L267 HydrophobicContact CB-CD2 4.11Å; I261-L267 HydrophobicContact CD1-CB 4.04Å; I261-L267 HydrophobicContact CD1-CD1 4.36Å; I261-L267 HydrophobicContact CD1-CD2 4.18Å; I261-L267 HydrophobicContact CD1-CG 4.43Å; I261-L267 HydrophobicContact CG1-CB 4.09Å; I261-L267 HydrophobicContact CG2-CB 3.75Å; L267-V269 HydrophobicContact CD2-CG1 4.05Å; L267-V269 HydrophobicContact CG-CG1 3.93Å; L267-S277 CarbonylContact O-C 3.53Å; L267-S277 WeakPolarHBondContact O-CA 3.49Å; L267-L278 HydrophobicContact CB-CD1 3.64Å; L267-L278 WeakPolarHBondContact CB-O 3.29Å; L267-L278 HydrophobicContact CD2-CD1 3.56Å; L267-L278 HydrophobicContact CG-CD1 3.66Å; L267-L278 PolarHBondContact N-O 2.62Å; L267-L278 WeakPolarHBondContact O-CD1 3.18Å; L267-L278 PolarHBondContact O-N 3Å
268	L	94.5	Very high	92.5	Very high	98 Å²	98	54 Å²	54	51%	0.513	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	123.2	175.4	-60.6	-179.4	0	0	0	109.5	P266 S277	P266-L268 PolarHBondContact O-N 2.91Å; L268-S277 WeakPolarHBondContact CD2-OG 3.34Å
269	V	92.3	Very high	92.6	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.006	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	158.9	178.6	-56.5	0	0	0	0	111	D67 C69 M71 L267 S275 S276 L278	D67-V269 HydrophobicContact CB-CG1 4.35Å; D67-V269 WeakPolarHBondContact O-CA 3.23Å; C69-V269 HydrophobicContact CB-CB 4.13Å; C69-V269 HydrophobicContact CB-CG1 4.26Å; C69-V269 WeakPolarHBondContact SG-CG1 3.46Å; M71-V269 HydrophobicContact CE-CG2 4.21Å; L267-V269 HydrophobicContact CD2-CG1 4.05Å; L267-V269 HydrophobicContact CG-CG1 3.93Å; V269-S275 WeakPolarHBondContact O-CA 3.29Å; V269-S276 WeakPolarHBondContact CG2-O 3.34Å; V269-S276 PolarHBondContact N-O 2.84Å; V269-S276 PolarHBondContact O-N 3.32Å; V269-L278 HydrophobicContact CG1-CD1 3.5Å; V269-L278 VanDerWaalsContact CG1-CD1 3.5Å; V269-L278 HydrophobicContact CG1-CD2 4.19Å; V269-L278 HydrophobicContact CG1-CG 4.05Å; V269-L278 HydrophobicContact CG2-CD1 4.28Å; V269-L278 HydrophobicContact CG2-CD2 3.71Å; V269-L278 HydrophobicContact CG2-CG 3.87Å
270	K	88.4	Confident	92.6	Very high	66 Å²	66	52.5 Å²	52.5	29%	0.287	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	131.2	177.3	-167	174.7	178.2	-173.7	0	110.4	T66 D67 Q68 C69 N273 I274	T66-K270 HydrophobicContact CG2-CB 3.77Å; D67-K270 PolarHBondContact O-N 3.39Å; Q68-K270 WeakPolarHBondContact CA-O 3.12Å; Q68-K270 PolarHBondContact OE1-O 3.08Å; C69-K270 PolarHBondContact N-O 3.04Å; K270-N273 VanDerWaalsContact CE-CA 3.46Å; K270-N273 WeakPolarHBondContact CE-OD1 3.3Å; K270-N273 PolarHBondContact NZ-OD1 2.83Å; K270-I274 WeakPolarHBondContact CA-O 3.14Å
271	E	85.6	Confident	92.8	Very high	30 Å²	30	46.2 Å²	46.2	14%	0.14	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	121.1	172.5	-176.8	172.3	-143.8	0	0	107.8	C69 S70 M71 N273 I274	C69-E271 WeakPolarHBondContact O-CB 3.41Å; S70-E271 WeakPolarHBondContact CA-OE1 3.19Å; S70-E271 VanDerWaalsContact CB-OE1 3.29Å; S70-E271 WeakPolarHBondContact CB-OE1 3.38Å; S70-E271 PolarHBondContact OG-OE1 3.3Å; M71-E271 PolarHBondContact N-OE1 2.88Å; E271-N273 PolarHBondContact O-N 2.78Å; E271-I274 PolarHBondContact N-O 2.85Å; E271-I274 WeakPolarHBondContact O-CA 3.33Å; E271-I274 WeakPolarHBondContact O-CB 3.39Å; E271-I274 PolarHBondContact O-N 2.69Å
272	D	80.2	Confident	92.8	Very high	121 Å²	121	45.2 Å²	45.2	65%	0.647	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.9	42	176.5	-68.4	-14.8	0	0	0	115	I274	D272-I274 VanDerWaalsContact C-N 3.29Å; D272-I274 PolarHBondContact O-N 3.3Å
273	N	77.9	Confident	92.8	Very high	134 Å²	134	44.6 Å²	44.6	72%	0.717	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.6	8.6	-175	-61.1	-48.4	0	0	0	117.4	K270 E271	K270-N273 VanDerWaalsContact CE-CA 3.46Å; K270-N273 WeakPolarHBondContact CE-OD1 3.3Å; K270-N273 PolarHBondContact NZ-OD1 2.83Å; E271-N273 PolarHBondContact O-N 2.78Å
274	I	83.5	Confident	92.8	Very high	22 Å²	22	41.7 Å²	41.7	11%	0.113	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	118.2	174.2	-53.3	175.6	0	0	0	108.4	K270 E271 D272 T439 N445 T448	K270-I274 WeakPolarHBondContact CA-O 3.14Å; E271-I274 PolarHBondContact N-O 2.85Å; E271-I274 WeakPolarHBondContact O-CA 3.33Å; E271-I274 WeakPolarHBondContact O-CB 3.39Å; E271-I274 PolarHBondContact O-N 2.69Å; D272-I274 VanDerWaalsContact C-N 3.29Å; D272-I274 PolarHBondContact O-N 3.3Å; I274-T439 HydrophobicContact CG2-CG2 4Å; I274-N445 HydrophobicContact CD1-CB 4.24Å; I274-N445 VanDerWaalsContact CD1-ND2 3.26Å; I274-N445 WeakPolarHBondContact CD1-ND2 3.43Å; I274-T448 HydrophobicContact CD1-CG2 3.42Å; I274-T448 VanDerWaalsContact CD1-CG2 3.42Å; I274-T448 HydrophobicContact CG2-CG2 4.01Å
275	S	88.9	Confident	92.8	Very high	64 Å²	64	38.5 Å²	38.5	45%	0.448	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	126.8	174.2	-69.1	0	0	0	0	110.6	V269	V269-S275 WeakPolarHBondContact O-CA 3.29Å
276	S	91.4	Very high	92.8	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.007	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	145.8	174.8	-50.4	0	0	0	0	109.7	V269 S436 Q437	V269-S276 WeakPolarHBondContact CG2-O 3.34Å; V269-S276 PolarHBondContact N-O 2.84Å; V269-S276 PolarHBondContact O-N 3.32Å; S276-S436 CarbonylContact C-O 3.56Å; S276-S436 WeakPolarHBondContact CA-O 3.44Å; S276-Q437 PolarHBondContact OG-NE2 3.12Å
277	S	94	Very high	92.8	Very high	12 Å²	12	33.5 Å²	33.5	8%	0.084	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	132.9	170.3	-58.8	0	0	0	0	108	L267 L268 I435 S436	L267-S277 CarbonylContact O-C 3.53Å; L267-S277 WeakPolarHBondContact O-CA 3.49Å; L268-S277 WeakPolarHBondContact CD2-OG 3.34Å; S277-I435 WeakPolarHBondContact O-CA 3.38Å; S277-S436 WeakPolarHBondContact CB-OG 3.33Å; S277-S436 PolarHBondContact N-O 2.57Å; S277-S436 PolarHBondContact O-N 3.35Å
278	L	95.9	Very high	92.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	149.1	-179.7	34.2	66.4	0	0	0	113.5	M71 L228 L267 V269 L433 V434 I435	M71-L278 HydrophobicContact SD-CD2 3.7Å; L228-L278 HydrophobicContact CD1-CD1 4.41Å; L267-L278 HydrophobicContact CB-CD1 3.64Å; L267-L278 WeakPolarHBondContact CB-O 3.29Å; L267-L278 HydrophobicContact CD2-CD1 3.56Å; L267-L278 HydrophobicContact CG-CD1 3.66Å; L267-L278 PolarHBondContact N-O 2.62Å; L267-L278 WeakPolarHBondContact O-CD1 3.18Å; L267-L278 PolarHBondContact O-N 3Å; V269-L278 HydrophobicContact CG1-CD1 3.5Å; V269-L278 VanDerWaalsContact CG1-CD1 3.5Å; V269-L278 HydrophobicContact CG1-CD2 4.19Å; V269-L278 HydrophobicContact CG1-CG 4.05Å; V269-L278 HydrophobicContact CG2-CD1 4.28Å; V269-L278 HydrophobicContact CG2-CD2 3.71Å; V269-L278 HydrophobicContact CG2-CG 3.87Å; L278-L433 HydrophobicContact CB-CD1 4.33Å; L278-V434 WeakPolarHBondContact CA-O 3.2Å; L278-V434 WeakPolarHBondContact CB-O 3.4Å; L278-I435 HydrophobicContact CB-CG1 4.2Å
279	Y	98.4	Very high	92.7	Very high	14 Å²	14	29.1 Å²	29.1	6%	0.055	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	157.8	173.9	66.1	-89.8	0	0	0	110.9	K263 P266 A281 T293 A298 V434	K263-Y279 HydrophobicContact CB-CE1 4.11Å; K263-Y279 HydrophobicContact CB-CE2 4.04Å; K263-Y279 HydrophobicContact CG-CE1 4.47Å; P266-Y279 HydrophobicContact CB-CD1 4.17Å; Y279-A281 HydrophobicContact CE2-CB 4.37Å; Y279-T293 HydrophobicContact CE2-CG2 3.86Å; Y279-A298 HydrophobicContact CE2-CB 4.31Å; Y279-V434 HydrophobicContact CD1-CB 4.02Å; Y279-V434 HydrophobicContact CD1-CG1 4.4Å; Y279-V434 HydrophobicContact CD2-CB 4.25Å; Y279-V434 HydrophobicContact CD2-CG2 4.23Å; Y279-V434 HydrophobicContact CE1-CB 3.58Å; Y279-V434 HydrophobicContact CE1-CG1 3.59Å; Y279-V434 HydrophobicContact CE1-CG2 4.21Å; Y279-V434 HydrophobicContact CE2-CB 3.82Å; Y279-V434 HydrophobicContact CE2-CG1 4.44Å; Y279-V434 HydrophobicContact CE2-CG2 3.56Å; Y279-V434 HydrophobicContact CG-CB 4.35Å; Y279-V434 VanDerWaalsContact CZ-CB 3.47Å; Y279-V434 PolarHBondContact N-O 2.87Å; Y279-V434 VanDerWaalsContact N-O 3.09Å; Y279-V434 PolarHBondContact O-N 2.99Å
280	I	98.8	Very high	92.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	130.1	176.6	-57.5	176.9	0	0	0	108.9	I202 L228 L232 I235 R292 S432 L433	I202-I280 HydrophobicContact CD1-CD1 4.29Å; I202-I280 HydrophobicContact CD1-CG1 4.5Å; L228-I280 HydrophobicContact CD1-CD1 3.68Å; L228-I280 HydrophobicContact CD1-CG1 3.69Å; L228-I280 HydrophobicContact CG-CD1 4.19Å; L232-I280 HydrophobicContact CB-CD1 3.58Å; L232-I280 HydrophobicContact CD1-CD1 3.95Å; L232-I280 HydrophobicContact CD1-CG2 4.35Å; L232-I280 HydrophobicContact CG-CD1 4.19Å; I235-I280 HydrophobicContact CD1-CG2 3.66Å; I280-R292 WeakPolarHBondContact O-CD 3.41Å; I280-R292 PolarHBondContact O-NH1 3.17Å; I280-S432 CarbonylContact C-O 3.6Å; I280-S432 VanDerWaalsContact CA-O 3.27Å; I280-S432 WeakPolarHBondContact CA-O 3.45Å; I280-S432 WeakPolarHBondContact CG2-O 3.28Å; I280-L433 HydrophobicContact CG1-CD1 4.4Å
281	A	98.8	Very high	93.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	156.2	170.5	0	0	0	0	0	110.9	Y279 T293 A298 V431 S432	Y279-A281 HydrophobicContact CE2-CB 4.37Å; A281-T293 WeakPolarHBondContact CA-O 3.49Å; A281-T293 HydrophobicContact CB-CG2 4.24Å; A281-T293 WeakPolarHBondContact CB-O 3.41Å; A281-A298 HydrophobicContact CB-CB 3.77Å; A281-V431 WeakPolarHBondContact O-CA 3.46Å; A281-S432 PolarHBondContact N-O 2.92Å; A281-S432 PolarHBondContact O-N 2.99Å
282	G	98.3	Very high	93.8	Very high	4 Å²	4	32.9 Å²	32.9	4%	0.041	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	156	-174.1	0	0	0	0	0	114.2	C288 T293 Q294 D295 G430	G282-C288 PolarHBondContact O-SG 3.34Å; G282-C288 VanDerWaalsContact O-SG 3.34Å; G282-T293 PolarHBondContact N-O 3.02Å; G282-Q294 CarbonylContact O-C 3.56Å; G282-Q294 WeakPolarHBondContact O-CA 3.23Å; G282-D295 PolarHBondContact O-N 2.85Å; G282-G430 WeakPolarHBondContact CA-O 3.33Å
283	S	98.2	Very high	94.7	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.021	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	165.9	167.6	65.9	0	0	0	0	110.1	Y424 T428 A429 G430	S283-Y424 PolarHBondContact OG-O 3.13Å; S283-Y424 VanDerWaalsContact OG-O 3.08Å; S283-T428 PolarHBondContact OG-O 3Å; S283-T428 VanDerWaalsContact OG-O 3.05Å; S283-A429 WeakPolarHBondContact O-CA 3.47Å; S283-G430 PolarHBondContact N-O 3.3Å; S283-G430 PolarHBondContact O-N 2.79Å; S283-G430 WeakPolarHBondContact OG-CA 3.41Å; S283-G430 PolarHBondContact OG-N 2.86Å
284	P	98	Very high	95.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.153	C	C	.	.			cis	-70.2	167.9	-16.7	33.8	-38.4	0	0	0	111.5	T184 S286 F287 C288 L426 T428 A429	T184-P284 HydrophobicContact CG2-CG 3.99Å; P284-S286 WeakPolarHBondContact CG-OG 3.21Å; P284-S286 PolarHBondContact O-N 2.91Å; P284-S286 VanDerWaalsContact O-N 3.1Å; P284-F287 HydrophobicContact CG-CB 4.16Å; P284-F287 HydrophobicContact CG-CD2 4Å; P284-F287 PolarHBondContact O-N 3.08Å; P284-C288 PolarHBondContact O-N 2.86Å; P284-C288 PolarHBondContact O-SG 2.95Å; P284-L426 WeakPolarHBondContact CB-O 3.19Å; P284-T428 WeakPolarHBondContact CD-O 3.03Å; P284-A429 VanDerWaalsContact CD-CA 3.46Å
285	P	97	Very high	96.4	Very high	48 Å²	48	23.7 Å²	23.7	31%	0.312	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-50.5	-35.3	174.9	-30.8	34.9	0	0	0	113.9	F287 C288 F425	P285-F287 PolarHBondContact O-N 3.43Å; P285-C288 PolarHBondContact O-N 2.92Å; P285-C288 VanDerWaalsContact O-N 3.08Å; P285-F425 WeakPolarHBondContact CD-O 3.39Å
286	S	96.3	Very high	96.9	Very high	54 Å²	54	22 Å²	22	38%	0.378	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-66.6	-19.7	178.6	58	0	0	0	0	114.2	W253 P284	W253-S286 PolarHBondContact NE1-O 2.89Å; P284-S286 WeakPolarHBondContact CG-OG 3.21Å; P284-S286 PolarHBondContact O-N 2.91Å; P284-S286 VanDerWaalsContact O-N 3.1Å
287	F	95.9	Very high	97.2	Very high	11 Å²	11	25.1 Å²	25.1	5%	0.048	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-100.3	4	174.2	-96.3	-94	0	0	0	113.6	F180 L183 T184 Y239 M242 L249 W253 P284 P285	F180-F287 HydrophobicContact CD1-CE2 4.05Å; F180-F287 HydrophobicContact CD1-CZ 4.43Å; F180-F287 HydrophobicContact CE1-CD1 4.45Å; F180-F287 AromaticContact CE1-CD2 3.71Å; F180-F287 HydrophobicContact CE1-CD2 3.71Å; F180-F287 HydrophobicContact CE1-CE1 4.19Å; F180-F287 AromaticContact CE1-CE2 3.35Å; F180-F287 HydrophobicContact CE1-CE2 3.35Å; F180-F287 HydrophobicContact CE1-CG 4.22Å; F180-F287 AromaticContact CE1-CZ 3.62Å; F180-F287 HydrophobicContact CE1-CZ 3.62Å; F180-F287 HydrophobicContact CE2-CE1 4.34Å; F180-F287 AromaticContact CE2-CZ 3.97Å; F180-F287 HydrophobicContact CE2-CZ 3.97Å; F180-F287 HydrophobicContact CZ-CD1 4.09Å; F180-F287 HydrophobicContact CZ-CD2 4.14Å; F180-F287 AromaticContact CZ-CE1 3.63Å; F180-F287 HydrophobicContact CZ-CE1 3.63Å; F180-F287 AromaticContact CZ-CE2 3.65Å; F180-F287 HydrophobicContact CZ-CE2 3.65Å; F180-F287 HydrophobicContact CZ-CG 4.32Å; F180-F287 AromaticContact CZ-CZ 3.37Å; F180-F287 HydrophobicContact CZ-CZ 3.37Å; L183-F287 HydrophobicContact CB-CE2 4.22Å; L183-F287 HydrophobicContact CB-CZ 4.49Å; L183-F287 HydrophobicContact CD1-CE2 4.47Å; L183-F287 HydrophobicContact CD1-CZ 3.93Å; T184-F287 HydrophobicContact CG2-CD2 3.65Å; T184-F287 HydrophobicContact CG2-CE2 3.49Å; T184-F287 VanDerWaalsContact CG2-CE2 3.49Å; Y239-F287 HydrophobicContact CD1-CD1 4.07Å; Y239-F287 HydrophobicContact CD1-CE1 4.01Å; Y239-F287 HydrophobicContact CE1-CD1 4.04Å; Y239-F287 HydrophobicContact CE1-CE1 4.38Å; M242-F287 HydrophobicContact CB-CE1 4.02Å; M242-F287 HydrophobicContact CB-CZ 4.15Å; M242-F287 HydrophobicContact CG-CE1 3.78Å; M242-F287 HydrophobicContact CG-CZ 4.13Å; L249-F287 HydrophobicContact CD1-CD2 4.31Å; L249-F287 HydrophobicContact CD1-CE2 4.2Å; L249-F287 HydrophobicContact CD2-CD2 3.89Å; L249-F287 HydrophobicContact CD2-CE1 4.11Å; L249-F287 HydrophobicContact CD2-CE2 3.35Å; L249-F287 HydrophobicContact CD2-CG 4.49Å; L249-F287 HydrophobicContact CD2-CZ 3.49Å; L249-F287 VanDerWaalsContact CD2-CZ 3.49Å; L249-F287 HydrophobicContact CG-CE2 4.39Å; W253-F287 HydrophobicContact CH2-CD1 4.17Å; W253-F287 HydrophobicContact CH2-CE1 4.48Å; W253-F287 HydrophobicContact CZ2-CD1 4.13Å; W253-F287 HydrophobicContact CZ2-CG 4.38Å; P284-F287 HydrophobicContact CG-CB 4.16Å; P284-F287 HydrophobicContact CG-CD2 4Å; P284-F287 PolarHBondContact O-N 3.08Å; P285-F287 PolarHBondContact O-N 3.43Å
288	C	94.7	Very high	97.4	Very high	15 Å²	15	24.6 Å²	24.6	10%	0.101	14%	0.144	C	C	.	.	S	Bend	trans	-107.1	124.3	-179.5	-64.8	0	0	0	0	110.1	G282 P284 P285 R292	G282-C288 PolarHBondContact O-SG 3.34Å; G282-C288 VanDerWaalsContact O-SG 3.34Å; P284-C288 PolarHBondContact O-N 2.86Å; P284-C288 PolarHBondContact O-SG 2.95Å; P285-C288 PolarHBondContact O-N 2.92Å; P285-C288 VanDerWaalsContact O-N 3.08Å; C288-R292 HydrophobicContact CB-CB 4.28Å; C288-R292 HydrophobicContact CB-CG 4.32Å
289	P	94.9	Very high	97.6	Very high	11 Å²	11	24.6 Å²	24.6	7%	0.071	14%	0.144	C	C	.	.			trans	-62.8	154.1	164.2	28.5	-32.9	0	0	0	109.5	W253 Y257 S291 R292	W253-P289 HydrophobicContact CB-CB 4.04Å; W253-P289 HydrophobicContact CG-CB 4.47Å; Y257-P289 WeakPolarHBondContact O-CG 3.49Å; P289-S291 PolarHBondContact O-N 3.1Å; P289-R292 HydrophobicContact CG-CB 4.04Å; P289-R292 WeakPolarHBondContact O-CB 3.42Å; P289-R292 PolarHBondContact O-N 3.25Å
290	P	94.6	Very high	97.6	Very high	132 Å²	132	26 Å²	26	86%	0.857	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-22.8	-177	-27.6	35.3	0	0	0	115.3
291	S	96.8	Very high	97.6	Very high	33 Å²	33	26.4 Å²	26.4	23%	0.231	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-13.7	178.6	51.2	0	0	0	0	114.6	S258 T259 N262 P289	S258-S291 VanDerWaalsContact CA-OG 3.26Å; S258-S291 WeakPolarHBondContact CA-OG 3.21Å; S258-S291 VanDerWaalsContact CB-OG 3.29Å; S258-S291 WeakPolarHBondContact CB-OG 3.33Å; S258-S291 PolarHBondContact OG-OG 3.24Å; T259-S291 WeakPolarHBondContact CG2-O 3.43Å; T259-S291 PolarHBondContact N-OG 3.39Å; T259-S291 VanDerWaalsContact N-OG 3.1Å; T259-S291 WeakPolarHBondContact O-CB 3.45Å; N262-S291 PolarHBondContact ND2-O 3.47Å; P289-S291 PolarHBondContact O-N 3.1Å
292	R	98.1	Very high	97.6	Very high	12 Å²	12	26.4 Å²	26.4	5%	0.045	16%	0.155	C	C	.	.	S	Bend	trans	-87.6	126.2	178.6	176	62	63.3	-163.7	-1.7	110	D231 T259 I280 C288 P289 Q294	D231-R292 PolarHBondContact O-NH2 2.78Å; D231-R292 IonicContact OD1-CZ 3.72Å; D231-R292 IonicContact OD1-NH1 3.05Å; D231-R292 PolarHBondContact OD1-NH1 2.83Å; D231-R292 IonicContact OD1-NH2 2.87Å; D231-R292 PolarHBondContact OD1-NH2 2.78Å; D231-R292 IonicContact OD2-CZ 3.61Å; D231-R292 IonicContact OD2-NH1 2.78Å; D231-R292 PolarHBondContact OD2-NH1 3.39Å; D231-R292 IonicContact OD2-NH2 2.69Å; D231-R292 PolarHBondContact OD2-NH2 2.9Å; D231-R292 VanDerWaalsContact OD2-NH2 3.16Å; T259-R292 HydrophobicContact CG2-CB 4.46Å; I280-R292 WeakPolarHBondContact O-CD 3.41Å; I280-R292 PolarHBondContact O-NH1 3.17Å; C288-R292 HydrophobicContact CB-CB 4.28Å; C288-R292 HydrophobicContact CB-CG 4.32Å; P289-R292 HydrophobicContact CG-CB 4.04Å; P289-R292 WeakPolarHBondContact O-CB 3.42Å; P289-R292 PolarHBondContact O-N 3.25Å; R292-Q294 PolarHBondContact O-N 2.91Å
293	T	98.6	Very high	97.6	Very high	3 Å²	3	26.2 Å²	26.2	2%	0.018	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-59.2	131.5	169.7	-58	0	0	0	0	110.3	N262 K263 Y279 A281 G282 E297 A298	N262-T293 WeakPolarHBondContact CB-OG1 3.44Å; K263-T293 HydrophobicContact CB-CG2 4Å; K263-T293 WeakPolarHBondContact CB-OG1 3.31Å; K263-T293 PolarHBondContact N-OG1 3.03Å; Y279-T293 HydrophobicContact CE2-CG2 3.86Å; A281-T293 WeakPolarHBondContact CA-O 3.49Å; A281-T293 HydrophobicContact CB-CG2 4.24Å; A281-T293 WeakPolarHBondContact CB-O 3.41Å; G282-T293 PolarHBondContact N-O 3.02Å; T293-E297 HydrophobicContact CG2-CB 4.4Å; T293-A298 HydrophobicContact CG2-CB 4.34Å
294	Q	98.6	Very high	97.6	Very high	81 Å²	81	29.1 Å²	29.1	38%	0.379	17%	0.173	S	C	.	.	B	Isolated β-bridge	trans	-77.8	143.6	177.2	-64.8	-179.8	8.5	0	0	110.6	G282 R292 L296 E297 A298	G282-Q294 CarbonylContact O-C 3.56Å; G282-Q294 WeakPolarHBondContact O-CA 3.23Å; R292-Q294 PolarHBondContact O-N 2.91Å; Q294-L296 VanDerWaalsContact C-N 3.31Å; Q294-L296 PolarHBondContact O-N 3.5Å; Q294-E297 HydrophobicContact CB-CB 4.31Å; Q294-E297 WeakPolarHBondContact O-CA 3.32Å; Q294-E297 WeakPolarHBondContact O-CB 3.2Å; Q294-E297 PolarHBondContact O-N 3.3Å; Q294-A298 PolarHBondContact O-N 3.08Å
295	D	98.3	Very high	97.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.6	-39.5	-174.5	-162.5	23.2	0	0	0	112.5	G282 E297 A298 I299 Y414 S418 F425 S432	G282-D295 PolarHBondContact O-N 2.85Å; D295-E297 PolarHBondContact O-N 2.85Å; D295-A298 WeakPolarHBondContact O-CB 3.45Å; D295-A298 PolarHBondContact O-N 2.82Å; D295-I299 PolarHBondContact O-N 3.04Å; D295-I299 VanDerWaalsContact O-N 3.12Å; D295-Y414 VanDerWaalsContact CG-OH 3.26Å; D295-Y414 WeakPolarHBondContact OD1-CE2 3.36Å; D295-Y414 PolarHBondContact OD1-OH 2.96Å; D295-Y414 PolarHBondContact OD2-OH 2.65Å; D295-S418 PolarHBondContact OD2-OG 3.4Å; D295-F425 HydrophobicContact CB-CD1 4.27Å; D295-S432 WeakPolarHBondContact OD1-CB 3.07Å; D295-S432 PolarHBondContact OD1-OG 3.27Å
296	L	98.8	Very high	97.5	Very high	28 Å²	28	30.8 Å²	30.8	15%	0.147	18%	0.177	C	C	.	.	H	α-helix	trans	-60.6	-44.5	172.2	-178.6	61.6	0	0	0	111.9	Q294 A298 I299 L300 W330 F332 I333 F425	Q294-L296 VanDerWaalsContact C-N 3.31Å; Q294-L296 PolarHBondContact O-N 3.5Å; L296-A298 VanDerWaalsContact C-N 3.29Å; L296-A298 PolarHBondContact O-N 3.17Å; L296-I299 PolarHBondContact O-N 3.47Å; L296-L300 HydrophobicContact CD1-CD1 4.11Å; L296-L300 HydrophobicContact CD1-CD2 4.36Å; L296-L300 HydrophobicContact CD1-CG 4.03Å; L296-L300 HydrophobicContact CD2-CD1 4.4Å; L296-L300 HydrophobicContact CG-CD1 3.84Å; L296-L300 HydrophobicContact CG-CG 4.18Å; L296-L300 VanDerWaalsContact O-CG 3.25Å; L296-L300 WeakPolarHBondContact O-CG 3.21Å; L296-L300 PolarHBondContact O-N 2.71Å; L296-W330 HydrophobicContact CD1-CH2 3.53Å; L296-W330 HydrophobicContact CD1-CZ2 3.66Å; L296-W330 HydrophobicContact CD2-CH2 4.44Å; L296-W330 HydrophobicContact CD2-CZ2 3.69Å; L296-W330 HydrophobicContact CG-CZ2 4.3Å; L296-F332 HydrophobicContact CD1-CB 4.46Å; L296-I333 HydrophobicContact CD1-CD1 4.21Å; L296-I333 HydrophobicContact CD1-CG1 3.93Å; L296-F425 HydrophobicContact CB-CB 4.12Å; L296-F425 HydrophobicContact CB-CD1 4.11Å; L296-F425 HydrophobicContact CB-CG 4.16Å; L296-F425 HydrophobicContact CD1-CD2 4.38Å; L296-F425 HydrophobicContact CD1-CG 4.32Å
297	E	98.6	Very high	97.6	Very high	67 Å²	67	33.1 Å²	33.1	31%	0.313	19%	0.185	S	C	.	.	H	α-helix	trans	-62.1	-39.2	178.6	-166.7	-156.9	152.8	0	0	111.2	K263 T293 Q294 D295 S301	K263-E297 WeakPolarHBondContact CD-OE1 3.16Å; K263-E297 IonicContact NZ-OE1 3.67Å; K263-E297 PolarHBondContact NZ-OE1 3.04Å; T293-E297 HydrophobicContact CG2-CB 4.4Å; Q294-E297 HydrophobicContact CB-CB 4.31Å; Q294-E297 WeakPolarHBondContact O-CA 3.32Å; Q294-E297 WeakPolarHBondContact O-CB 3.2Å; Q294-E297 PolarHBondContact O-N 3.3Å; D295-E297 PolarHBondContact O-N 2.85Å; E297-S301 VanDerWaalsContact O-CB 3.23Å; E297-S301 WeakPolarHBondContact O-CB 3.45Å; E297-S301 PolarHBondContact O-N 3.49Å; E297-S301 PolarHBondContact O-OG 2.95Å
298	A	98.7	Very high	97.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60.1	-46	175.6	0	0	0	0	0	111.6	Y279 A281 T293 Q294 D295 L296 S301 S302 Y414 V434	Y279-A298 HydrophobicContact CE2-CB 4.31Å; A281-A298 HydrophobicContact CB-CB 3.77Å; T293-A298 HydrophobicContact CG2-CB 4.34Å; Q294-A298 PolarHBondContact O-N 3.08Å; D295-A298 WeakPolarHBondContact O-CB 3.45Å; D295-A298 PolarHBondContact O-N 2.82Å; L296-A298 VanDerWaalsContact C-N 3.29Å; L296-A298 PolarHBondContact O-N 3.17Å; A298-S301 PolarHBondContact O-OG 3.49Å; A298-S302 VanDerWaalsContact O-CB 3.29Å; A298-S302 WeakPolarHBondContact O-CB 3.33Å; A298-S302 PolarHBondContact O-N 3.05Å; A298-S302 PolarHBondContact O-OG 2.58Å; A298-Y414 HydrophobicContact CB-CE2 4.29Å; A298-V434 HydrophobicContact CB-CG2 3.94Å
299	I	98.8	Very high	97.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-63.4	-54.3	176.6	-69.2	165.2	0	0	0	111.1	D295 L296 S301 S302 I303 I333 Y414 W420 F425	D295-I299 PolarHBondContact O-N 3.04Å; D295-I299 VanDerWaalsContact O-N 3.12Å; L296-I299 PolarHBondContact O-N 3.47Å; I299-S301 VanDerWaalsContact C-N 3.29Å; I299-S301 PolarHBondContact O-N 2.78Å; I299-S302 PolarHBondContact O-N 3.22Å; I299-S302 VanDerWaalsContact O-N 3.13Å; I299-I303 HydrophobicContact CG2-CD1 3.89Å; I299-I303 WeakPolarHBondContact O-CG1 3.33Å; I299-I303 PolarHBondContact O-N 3.15Å; I299-I333 HydrophobicContact CD1-CD1 4.45Å; I299-I333 HydrophobicContact CG2-CD1 4.21Å; I299-I333 HydrophobicContact CG2-CG1 4.25Å; I299-Y414 HydrophobicContact CD1-CE1 4.36Å; I299-Y414 HydrophobicContact CD1-CE2 4.33Å; I299-Y414 HydrophobicContact CG1-CD2 4.24Å; I299-Y414 HydrophobicContact CG1-CE1 4.19Å; I299-Y414 HydrophobicContact CG1-CE2 3.68Å; I299-W420 HydrophobicContact CD1-CZ2 4.42Å; I299-W420 HydrophobicContact CG1-CZ2 4.46Å; I299-W420 HydrophobicContact CG2-CH2 4.06Å; I299-W420 HydrophobicContact CG2-CZ2 3.9Å; I299-F425 HydrophobicContact CD1-CE1 3.5Å; I299-F425 VanDerWaalsContact CD1-CE1 3.5Å; I299-F425 HydrophobicContact CD1-CZ 3.53Å
300	L	98.9	Very high	98	Very high	45 Å²	45	41 Å²	41	24%	0.236	21%	0.212	C	C	.	.	H	α-helix	trans	-59.4	-41.9	-176.3	-64.5	177.8	0	0	0	111.6	L296 I303 S304 F332 I333 A336	L296-L300 HydrophobicContact CD1-CD1 4.11Å; L296-L300 HydrophobicContact CD1-CD2 4.36Å; L296-L300 HydrophobicContact CD1-CG 4.03Å; L296-L300 HydrophobicContact CD2-CD1 4.4Å; L296-L300 HydrophobicContact CG-CD1 3.84Å; L296-L300 HydrophobicContact CG-CG 4.18Å; L296-L300 VanDerWaalsContact O-CG 3.25Å; L296-L300 WeakPolarHBondContact O-CG 3.21Å; L296-L300 PolarHBondContact O-N 2.71Å; L300-I303 PolarHBondContact O-N 3.25Å; L300-S304 WeakPolarHBondContact O-CB 3.48Å; L300-S304 PolarHBondContact O-N 3.44Å; L300-F332 HydrophobicContact CD1-CB 4.38Å; L300-F332 HydrophobicContact CD2-CB 4.27Å; L300-F332 VanDerWaalsContact CD2-O 3.25Å; L300-F332 WeakPolarHBondContact CD2-O 3.5Å; L300-I333 HydrophobicContact CD2-CG1 4.28Å; L300-A336 HydrophobicContact CD2-CB 3.68Å
301	S	98.3	Very high	98.2	Very high	7 Å²	7	34.7 Å²	34.7	5%	0.049	17%	0.171	C	C	.	.	H	α-helix	trans	-73.8	-28.6	179.2	63.7	0	0	0	0	113.8	K263 E297 A298 I299 S304 Q305	K263-S301 WeakPolarHBondContact CE-OG 3.05Å; K263-S301 PolarHBondContact NZ-OG 2.69Å; E297-S301 VanDerWaalsContact O-CB 3.23Å; E297-S301 WeakPolarHBondContact O-CB 3.45Å; E297-S301 PolarHBondContact O-N 3.49Å; E297-S301 PolarHBondContact O-OG 2.95Å; A298-S301 PolarHBondContact O-OG 3.49Å; I299-S301 VanDerWaalsContact C-N 3.29Å; I299-S301 PolarHBondContact O-N 2.78Å; S301-S304 WeakPolarHBondContact CA-OG 3.32Å; S301-S304 PolarHBondContact O-OG 3.47Å; S301-S304 VanDerWaalsContact O-OG 3.12Å; S301-Q305 VanDerWaalsContact O-CB 3.29Å; S301-Q305 WeakPolarHBondContact O-CB 3.28Å; S301-Q305 WeakPolarHBondContact O-CG 3.46Å; S301-Q305 PolarHBondContact O-N 3.23Å; S301-Q305 PolarHBondContact O-NE2 3.18Å
302	S	98.4	Very high	98.3	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.007	16%	0.16	C	C	.	.	H	α-helix	trans	-70.4	-38.4	174.1	-60.8	0	0	0	0	111.1	A298 I299 A306	A298-S302 VanDerWaalsContact O-CB 3.29Å; A298-S302 WeakPolarHBondContact O-CB 3.33Å; A298-S302 PolarHBondContact O-N 3.05Å; A298-S302 PolarHBondContact O-OG 2.58Å; I299-S302 PolarHBondContact O-N 3.22Å; I299-S302 VanDerWaalsContact O-N 3.13Å; S302-A306 PolarHBondContact O-N 2.7Å
303	I	98.8	Very high	98.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-67.6	-41.5	172.5	-63.7	169.7	0	0	0	111	I299 L300 Q305 A306 V310 I333 A336 I337 A340 R344 M407 W420	I299-I303 HydrophobicContact CG2-CD1 3.89Å; I299-I303 WeakPolarHBondContact O-CG1 3.33Å; I299-I303 PolarHBondContact O-N 3.15Å; L300-I303 PolarHBondContact O-N 3.25Å; I303-Q305 VanDerWaalsContact C-N 3.34Å; I303-Q305 PolarHBondContact O-N 3.18Å; I303-A306 PolarHBondContact O-N 3.38Å; I303-V310 HydrophobicContact CG1-CG1 4.29Å; I303-I333 HydrophobicContact CD1-CG2 4.44Å; I303-A336 HydrophobicContact CB-CB 4.47Å; I303-A336 HydrophobicContact CD1-CB 4.21Å; I303-A336 HydrophobicContact CG2-CB 4.08Å; I303-A336 WeakPolarHBondContact CG2-O 3.34Å; I303-I337 HydrophobicContact CD1-CG1 4.35Å; I303-A340 HydrophobicContact CG2-CB 3.93Å; I303-R344 PolarHBondContact O-NH2 3.04Å; I303-M407 HydrophobicContact CD1-SD 4.28Å; I303-M407 HydrophobicContact CG1-CE 4.14Å; I303-M407 HydrophobicContact CG1-SD 3.61Å; I303-W420 HydrophobicContact CD1-CH2 4.36Å
304	S	98.1	Very high	98.3	Very high	63 Å²	63	32.4 Å²	32.4	44%	0.441	16%	0.157	S	C	.	.	H	α-helix	trans	-68.4	-33.7	-178.1	76.6	0	0	0	0	113	L300 S301 R344	L300-S304 WeakPolarHBondContact O-CB 3.48Å; L300-S304 PolarHBondContact O-N 3.44Å; S301-S304 WeakPolarHBondContact CA-OG 3.32Å; S301-S304 PolarHBondContact O-OG 3.47Å; S301-S304 VanDerWaalsContact O-OG 3.12Å; S304-R344 PolarHBondContact O-NE 3.16Å
305	Q	96.7	Very high	98.3	Very high	84 Å²	84	30.5 Å²	30.5	39%	0.393	15%	0.148	S	C	.	.	H	α-helix	trans	-80.2	-17.5	179.8	-73.9	172	77.7	0	0	114	S301 I303 K411	S301-Q305 VanDerWaalsContact O-CB 3.29Å; S301-Q305 WeakPolarHBondContact O-CB 3.28Å; S301-Q305 WeakPolarHBondContact O-CG 3.46Å; S301-Q305 PolarHBondContact O-N 3.23Å; S301-Q305 PolarHBondContact O-NE2 3.18Å; I303-Q305 VanDerWaalsContact C-N 3.34Å; I303-Q305 PolarHBondContact O-N 3.18Å; Q305-K411 HydrophobicContact CB-CD 4.5Å; Q305-K411 VanDerWaalsContact O-CD 3.24Å; Q305-K411 WeakPolarHBondContact O-CD 3.34Å; Q305-K411 VanDerWaalsContact O-CE 3.23Å; Q305-K411 WeakPolarHBondContact O-CE 3.33Å; Q305-K411 PolarHBondContact O-NZ 3.36Å
306	A	97.7	Very high	98.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.155	C	C	.	.			trans	-63.7	134.5	180	0	0	0	0	0	111.5	S302 I303 V310 V346 T409 D410	S302-A306 PolarHBondContact O-N 2.7Å; I303-A306 PolarHBondContact O-N 3.38Å; A306-V310 HydrophobicContact CB-CG2 3.57Å; A306-V346 HydrophobicContact CB-CG1 4.25Å; A306-V346 VanDerWaalsContact O-CG2 3.3Å; A306-V346 WeakPolarHBondContact O-CG2 3.27Å; A306-T409 HydrophobicContact CB-CG2 4.08Å; A306-D410 WeakPolarHBondContact CA-OD1 3.14Å
307	D	97.2	Very high	98.2	Very high	102 Å²	102	30.6 Å²	30.6	55%	0.545	15%	0.148	S	C	.	.	S	Bend	trans	-104.3	-23.8	178.1	-60.6	-27.7	0	0	0	112.1	D410 K411	D307-D410 WeakPolarHBondContact CB-OD2 3.39Å; D307-D410 PolarHBondContact N-OD1 3.27Å; D307-D410 PolarHBondContact N-OD2 3.28Å; D307-K411 VanDerWaalsContact CG-CE 3.49Å; D307-K411 IonicContact OD1-NZ 2.76Å; D307-K411 PolarHBondContact OD1-NZ 2.97Å; D307-K411 WeakPolarHBondContact OD2-CE 3.2Å; D307-K411 IonicContact OD2-NZ 3.6Å; D307-K411 PolarHBondContact OD2-NZ 2.81Å
308	R	97.7	Very high	98.2	Very high	169 Å²	169	27.6 Å²	27.6	64%	0.638	13%	0.134	S	C	*	.	S	Bend	trans	-123.2	-48.8	-168.4	-60.3	178.8	65	-175.2	-0.1	113.3	K347 D410	R308-K347 PolarHBondContact O-N 3.28Å; R308-K347 VanDerWaalsContact O-N 3.08Å; R308-D410 HydrophobicContact CB-CB 4Å; R308-D410 HydrophobicContact CG-CB 4.35Å; R308-D410 PolarHBondContact N-OD1 3.49Å
309	F	98.4	Very high	98.2	Very high	33 Å²	33	27.9 Å²	27.9	15%	0.145	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	157.5	-178.4	71.5	-92.6	0	0	0	112.8	D311 K347 V408 T409 D410 K454	F309-D311 HydrophobicContact CD2-CB 4.46Å; F309-K347 CarbonylContact C-O 3.59Å; F309-K347 WeakPolarHBondContact CA-O 3.45Å; F309-K347 HydrophobicContact CB-CB 4.42Å; F309-V408 HydrophobicContact CE2-CG1 4.4Å; F309-V408 HydrophobicContact CE2-CG2 4.41Å; F309-V408 VanDerWaalsContact CE2-O 3.3Å; F309-V408 WeakPolarHBondContact CE2-O 3.31Å; F309-T409 WeakPolarHBondContact CE2-O 3.39Å; F309-T409 WeakPolarHBondContact CZ-O 3.25Å; F309-T409 VanDerWaalsContact O-CA 3.25Å; F309-T409 WeakPolarHBondContact O-CA 3.36Å; F309-T409 WeakPolarHBondContact O-CB 3.4Å; F309-D410 HydrophobicContact CD1-CB 4.03Å; F309-D410 HydrophobicContact CE1-CB 3.73Å; F309-D410 HydrophobicContact CZ-CB 4.36Å; F309-D410 PolarHBondContact N-OD1 3.21Å; F309-K454 HydrophobicContact CE2-CD 3.91Å; F309-K454 HydrophobicContact CZ-CD 3.88Å
310	V	98.8	Very high	98.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	115.8	168	173.7	0	0	0	0	107.6	I303 A306 V312 V346 K347 V348 R349 M407 T409	I303-V310 HydrophobicContact CG1-CG1 4.29Å; A306-V310 HydrophobicContact CB-CG2 3.57Å; V310-V312 HydrophobicContact CG1-CG2 3.84Å; V310-V346 HydrophobicContact CB-CG1 4.43Å; V310-V346 HydrophobicContact CG2-CG1 3.79Å; V310-K347 PolarHBondContact N-O 2.76Å; V310-V348 HydrophobicContact CB-CG2 4.23Å; V310-V348 CarbonylContact O-C 3.58Å; V310-V348 VanDerWaalsContact O-CA 3.3Å; V310-V348 WeakPolarHBondContact O-CA 3.38Å; V310-R349 PolarHBondContact O-N 3.24Å; V310-M407 HydrophobicContact CG1-CG 4.04Å; V310-M407 HydrophobicContact CG1-SD 3.64Å; V310-T409 HydrophobicContact CB-CG2 4.43Å; V310-T409 HydrophobicContact CG1-CG2 4.43Å; V310-T409 HydrophobicContact CG2-CG2 3.89Å
311	D	98.9	Very high	98	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	125.6	175.7	-69.4	-22.8	0	0	0	109.4	F309 R349 M407 V408 K454 F457	F309-D311 HydrophobicContact CD2-CB 4.46Å; D311-R349 CarbonylContact C-O 3.55Å; D311-R349 WeakPolarHBondContact CA-O 3.33Å; D311-R349 VanDerWaalsContact CG-NH2 3.31Å; D311-R349 WeakPolarHBondContact OD1-CB 3.33Å; D311-R349 IonicContact OD1-CZ 3.85Å; D311-R349 IonicContact OD1-NE 3.78Å; D311-R349 PolarHBondContact OD1-NE 3.08Å; D311-R349 IonicContact OD1-NH2 3.98Å; D311-R349 PolarHBondContact OD1-NH2 3.33Å; D311-R349 IonicContact OD2-CZ 2.87Å; D311-R349 IonicContact OD2-NE 3.31Å; D311-R349 IonicContact OD2-NH2 2.86Å; D311-R349 PolarHBondContact OD2-NH2 2.87Å; D311-M407 CarbonylContact O-C 3.52Å; D311-M407 WeakPolarHBondContact O-CA 3.34Å; D311-M407 WeakPolarHBondContact O-CG 3.39Å; D311-V408 HydrophobicContact CB-CG1 3.71Å; D311-V408 PolarHBondContact N-O 2.82Å; D311-V408 PolarHBondContact O-N 3.44Å; D311-K454 IonicContact OD2-NZ 3.38Å; D311-K454 PolarHBondContact OD2-NZ 3.28Å; D311-F457 HydrophobicContact CB-CD1 3.7Å; D311-F457 HydrophobicContact CB-CD2 3.87Å; D311-F457 HydrophobicContact CB-CE1 3.62Å; D311-F457 HydrophobicContact CB-CE2 3.78Å; D311-F457 HydrophobicContact CB-CG 3.84Å; D311-F457 HydrophobicContact CB-CZ 3.65Å; D311-F457 VanDerWaalsContact CG-CE1 3.45Å; D311-F457 WeakPolarHBondContact OD2-CD1 3.25Å
312	V	98.8	Very high	97.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	130.4	-174.1	179.9	0	0	0	0	109.8	V310 V314 R349 M350 L351 M407 W420 F457	V310-V312 HydrophobicContact CG1-CG2 3.84Å; V312-V314 HydrophobicContact CG1-CG1 3.77Å; V312-V314 HydrophobicContact CG1-CG2 4.11Å; V312-R349 PolarHBondContact N-O 3.05Å; V312-M350 HydrophobicContact CB-CG 4.3Å; V312-M350 CarbonylContact O-C 3.59Å; V312-M350 WeakPolarHBondContact O-CA 3.3Å; V312-L351 PolarHBondContact O-N 3.17Å; V312-M407 HydrophobicContact CG2-CB 4.33Å; V312-M407 HydrophobicContact CG2-CG 4Å; V312-M407 HydrophobicContact CG2-SD 4.17Å; V312-W420 HydrophobicContact CB-CH2 4.09Å; V312-W420 HydrophobicContact CB-CZ3 4.25Å; V312-W420 HydrophobicContact CG1-CD2 4.26Å; V312-W420 HydrophobicContact CG1-CE3 3.92Å; V312-W420 HydrophobicContact CG1-CH2 3.45Å; V312-W420 VanDerWaalsContact CG1-CH2 3.45Å; V312-W420 HydrophobicContact CG1-CZ2 3.76Å; V312-W420 HydrophobicContact CG1-CZ3 3.53Å; V312-W420 HydrophobicContact CG2-CH2 3.42Å; V312-W420 VanDerWaalsContact CG2-CH2 3.42Å; V312-W420 HydrophobicContact CG2-CZ2 4.32Å; V312-W420 HydrophobicContact CG2-CZ3 3.74Å; V312-F457 WeakPolarHBondContact O-CE2 3.31Å
313	A	98.7	Very high	97.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	112.6	168.7	0	0	0	0	0	110.3	L351 N404 K405 Y406 F457	A313-L351 WeakPolarHBondContact CA-O 3.47Å; A313-L351 HydrophobicContact CB-CB 4.33Å; A313-N404 HydrophobicContact CB-CB 4.44Å; A313-N404 CarbonylContact O-C 2.98Å; A313-K405 WeakPolarHBondContact O-CA 3.31Å; A313-Y406 HydrophobicContact CB-CD1 3.92Å; A313-Y406 HydrophobicContact CB-CD2 4.48Å; A313-Y406 HydrophobicContact CB-CE1 3.41Å; A313-Y406 VanDerWaalsContact CB-CE1 3.41Å; A313-Y406 HydrophobicContact CB-CE2 4.03Å; A313-Y406 HydrophobicContact CB-CG 4.42Å; A313-Y406 VanDerWaalsContact CB-CZ 3.47Å; A313-Y406 PolarHBondContact N-O 3.16Å; A313-Y406 PolarHBondContact O-N 3.4Å; A313-F457 HydrophobicContact CB-CD2 4.28Å; A313-F457 HydrophobicContact CB-CE2 4.35Å
314	V	98.4	Very high	96.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	146.7	-176.2	-67.3	0	0	0	0	111.3	V312 L351 I352 S353 N404 W420	V312-V314 HydrophobicContact CG1-CG1 3.77Å; V312-V314 HydrophobicContact CG1-CG2 4.11Å; V314-L351 PolarHBondContact N-O 3.49Å; V314-I352 HydrophobicContact CG2-CD1 3.47Å; V314-I352 VanDerWaalsContact CG2-CD1 3.47Å; V314-I352 WeakPolarHBondContact O-CA 3.43Å; V314-S353 PolarHBondContact O-N 3.4Å; V314-S353 VanDerWaalsContact O-N 3.16Å; V314-N404 CarbonylContact C-O 3.49Å; V314-N404 VanDerWaalsContact CA-O 3.28Å; V314-N404 WeakPolarHBondContact CA-O 3.5Å; V314-W420 HydrophobicContact CG1-CD2 3.91Å; V314-W420 HydrophobicContact CG1-CG 3.85Å; V314-W420 HydrophobicContact CG2-CG 4.49Å
315	M	98	Very high	96.5	Very high	40 Å²	40	41.4 Å²	41.4	20%	0.197	19%	0.186	C	C	.	.	S	Bend	trans	-65.4	-46.3	175.5	-175.5	-161	178.2	0	0	112.1	H403 N404	M315-H403 PolarHBondContact SD-CD2 2.87Å; M315-N404 PolarHBondContact N-O 3.07Å; M315-N404 VanDerWaalsContact N-O 3.08Å
316	E	96.9	Very high	96.3	Very high	28 Å²	28	42.1 Å²	42.1	13%	0.131	20%	0.198	C	C	.	.			trans	-134.5	142.9	-176.4	-59.1	-175.9	110.5	0	0	111.2	F318 R322 M362 N419 W420	E316-F318 HydrophobicContact CB-CD2 4.33Å; E316-F318 HydrophobicContact CB-CE2 4.25Å; E316-R322 IonicContact OE1-NH1 2.72Å; E316-R322 PolarHBondContact OE1-NH1 3.14Å; E316-M362 HydrophobicContact CB-SD 4.48Å; E316-N419 HydrophobicContact CB-CB 4.08Å; E316-N419 PolarHBondContact OE2-ND2 3.17Å; E316-W420 PolarHBondContact O-N 2.99Å
317	Y	98.2	Very high	96.1	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.008	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-133.7	116.1	176.8	177.3	-96.8	0	0	0	110.6	I333 D334 I337 M350 M362 L366 L369 W420	Y317-I333 HydrophobicContact CE2-CG2 4.23Å; Y317-D334 VanDerWaalsContact OH-CA 3.26Å; Y317-D334 WeakPolarHBondContact OH-CA 3.11Å; Y317-D334 WeakPolarHBondContact OH-CB 3.48Å; Y317-D334 PolarHBondContact OH-OD1 2.8Å; Y317-I337 HydrophobicContact CE2-CD1 4.24Å; Y317-M350 HydrophobicContact CD2-CE 3.75Å; Y317-M350 HydrophobicContact CE2-CE 3.87Å; Y317-M350 HydrophobicContact CG-CE 4.15Å; Y317-M362 PolarHBondContact N-SD 2.93Å; Y317-M362 VanDerWaalsContact N-SD 3.38Å; Y317-M362 WeakPolarHBondContact O-CG 3.3Å; Y317-L366 HydrophobicContact CD1-CD2 3.83Å; Y317-L366 HydrophobicContact CG-CD2 4.35Å; Y317-L369 HydrophobicContact CE1-CD1 3.57Å; Y317-W420 WeakPolarHBondContact CA-O 3.4Å; Y317-W420 HydrophobicContact CD2-CB 3.97Å; Y317-W420 HydrophobicContact CD2-CE3 4.09Å; Y317-W420 HydrophobicContact CE2-CE3 4.23Å
318	F	98.3	Very high	96.1	Very high	5 Å²	5	47 Å²	47	2%	0.022	22%	0.216	C	C	.	.			trans	-139.9	118.4	176.1	-72.4	-97.3	0	0	0	109.8	E316 T320 R322 D359 A361 M362 F365 W420 A421	E316-F318 HydrophobicContact CB-CD2 4.33Å; E316-F318 HydrophobicContact CB-CE2 4.25Å; F318-T320 PolarHBondContact O-N 3.32Å; F318-R322 HydrophobicContact CB-CG 4.31Å; F318-R322 HydrophobicContact CD2-CG 4.36Å; F318-R322 VanDerWaalsContact CE2-CZ 3.49Å; F318-R322 HydrophobicContact CG-CG 4.3Å; F318-D359 HydrophobicContact CZ-CB 4.1Å; F318-A361 HydrophobicContact CE1-CB 4.22Å; F318-M362 HydrophobicContact CE1-CB 4.08Å; F318-M362 HydrophobicContact CE2-CB 3.85Å; F318-M362 HydrophobicContact CE2-CG 4.08Å; F318-M362 HydrophobicContact CE2-SD 4.07Å; F318-M362 HydrophobicContact CZ-CB 3.46Å; F318-M362 VanDerWaalsContact CZ-CB 3.46Å; F318-M362 HydrophobicContact CZ-CG 4.16Å; F318-F365 HydrophobicContact CD1-CD2 4.04Å; F318-F365 AromaticContact CD1-CE2 3.88Å; F318-F365 HydrophobicContact CD1-CE2 3.88Å; F318-F365 HydrophobicContact CE1-CD2 4.45Å; F318-F365 HydrophobicContact CE1-CE2 4.35Å; F318-W420 PolarHBondContact N-O 3.27Å; F318-A421 HydrophobicContact CB-CB 3.88Å; F318-A421 WeakPolarHBondContact O-CA 3.34Å
319	P	97.8	Very high	96.1	Very high	5 Å²	5	45.6 Å²	45.6	3%	0.032	21%	0.211	C	C	.	.	S	Bend	trans	-78.1	41.3	170.4	36	-36.3	0	0	0	111	Y329 W330 D334 F365	P319-Y329 HydrophobicContact CB-CE2 4.09Å; P319-Y329 HydrophobicContact CG-CE2 4.33Å; P319-Y329 WeakPolarHBondContact O-CD2 3.35Å; P319-Y329 WeakPolarHBondContact O-CE2 3.26Å; P319-W330 CarbonylContact C-O 3.6Å; P319-W330 VanDerWaalsContact CA-O 3.28Å; P319-W330 WeakPolarHBondContact CA-O 3.08Å; P319-W330 CarbonylContact O-C 3.41Å; P319-W330 PolarHBondContact O-N 2.83Å; P319-W330 VanDerWaalsContact O-O 3.05Å; P319-D334 HydrophobicContact CB-CB 3.86Å; P319-F365 VanDerWaalsContact CD-CG 3.46Å; P319-F365 HydrophobicContact CG-CB 4.16Å; P319-F365 HydrophobicContact CG-CD1 3.32Å; P319-F365 HydrophobicContact CG-CE1 3.76Å; P319-F365 HydrophobicContact CG-CG 3.77Å
320	T	97.9	Very high	96.1	Very high	20 Å²	20	44.9 Å²	44.9	12%	0.123	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-148.3	170.3	-177.3	69.3	0	0	0	0	110.7	F318 K328 Y329 F365 A422	F318-T320 PolarHBondContact O-N 3.32Å; T320-K328 CarbonylContact C-O 3.45Å; T320-K328 WeakPolarHBondContact CA-O 3.1Å; T320-K328 VanDerWaalsContact CB-O 3.26Å; T320-K328 WeakPolarHBondContact CB-O 3.08Å; T320-Y329 HydrophobicContact CG2-CD2 4.39Å; T320-F365 HydrophobicContact CG2-CE1 4.02Å; T320-F365 HydrophobicContact CG2-CE2 4.32Å; T320-F365 HydrophobicContact CG2-CZ 3.57Å; T320-A422 WeakPolarHBondContact O-CB 3.41Å; T320-A422 PolarHBondContact O-N 2.87Å
321	T	96.8	Very high	96	Very high	5 Å²	5	46.2 Å²	46.2	3%	0.031	22%	0.217	C	C	.	.			trans	-69.9	147.2	158	62.8	0	0	0	0	110.7	E324 H327 K328 A422 D423	T321-E324 HydrophobicContact CG2-CB 4.26Å; T321-H327 PolarHBondContact O-ND1 3.18Å; T321-H327 WeakPolarHBondContact OG1-CA 3.3Å; T321-K328 HydrophobicContact CG2-CB 4.16Å; T321-K328 PolarHBondContact N-O 3.12Å; T321-K328 PolarHBondContact OG1-N 3.28Å; T321-A422 HydrophobicContact CG2-CB 3.79Å; T321-D423 VanDerWaalsContact CA-OD2 3.29Å; T321-D423 WeakPolarHBondContact CA-OD2 3.04Å
322	R	92.7	Very high	96	Very high	35 Å²	35	51.3 Å²	51.3	13%	0.132	24%	0.239	C	C	.	.	S	Bend	trans	-107.4	-43.2	-179.5	-71.5	-117	59.4	178.8	-1.1	112.1	E316 F318 H327 D359 A421 D423	E316-R322 IonicContact OE1-NH1 2.72Å; E316-R322 PolarHBondContact OE1-NH1 3.14Å; F318-R322 HydrophobicContact CB-CG 4.31Å; F318-R322 HydrophobicContact CD2-CG 4.36Å; F318-R322 VanDerWaalsContact CE2-CZ 3.49Å; F318-R322 HydrophobicContact CG-CG 4.3Å; R322-H327 PolarHBondContact O-CE1 2.9Å; R322-D359 IonicContact CZ-OD2 2.62Å; R322-D359 IonicContact NH1-OD2 2.67Å; R322-D359 IonicContact NH2-OD2 3.76Å; R322-D359 PolarHBondContact NH2-OD2 3.47Å; R322-A421 HydrophobicContact CG-CB 3.5Å; R322-A421 VanDerWaalsContact CG-CB 3.5Å; R322-D423 PolarHBondContact N-OD2 3.32Å
323	F	90.5	Very high	96	Very high	116 Å²	116	51.4 Å²	51.4	51%	0.509	24%	0.239	S	C	.	.	S	Bend	trans	-108.1	-35.3	-169.7	-48.9	-58.8	0	0	0	111.2	D423 Y424	F323-D423 HydrophobicContact CD2-CB 3.58Å; F323-D423 HydrophobicContact CE2-CB 4.18Å; F323-D423 PolarHBondContact N-OD1 3.19Å; F323-D423 PolarHBondContact N-OD2 3.19Å; F323-Y424 HydrophobicContact CE2-CD2 4.45Å; F323-Y424 AromaticContact CE2-CE2 3.77Å; F323-Y424 HydrophobicContact CE2-CE2 3.77Å; F323-Y424 HydrophobicContact CZ-CE2 4.04Å
324	E	88.8	Confident	96	Very high	74 Å²	74	51.7 Å²	51.7	35%	0.346	24%	0.241	S	C	.	.	S	Bend	trans	-61.8	137.8	171.3	-166.5	-176.4	160.7	0	0	112.1	T321 H327 K328 D423	T321-E324 HydrophobicContact CG2-CB 4.26Å; E324-H327 PolarHBondContact O-ND1 3.03Å; E324-K328 WeakPolarHBondContact OE1-CE 3.37Å; E324-K328 IonicContact OE1-NZ 2.73Å; E324-K328 PolarHBondContact OE1-NZ 2.75Å; E324-D423 PolarHBondContact N-OD1 3.38Å
325	K	88.7	Confident	96	Very high	151 Å²	151	54.9 Å²	54.9	66%	0.657	26%	0.258	S	S	*	.	S	Bend	trans	-120.5	135.8	174.8	-61.7	-68.4	-176.7	169.6	0	110.2	H327	K325-H327 PolarHBondContact NZ-CE1 2.83Å; K325-H327 PolarHBondContact NZ-NE2 3.07Å
326	P	93.3	Very high	96	Very high	99 Å²	99	53.3 Å²	53.3	64%	0.643	25%	0.251	S	S	*	.	S	Bend	cis	-66.8	155.9	-6	30.7	-35.8	0	0	0	111.8
327	H	93.8	Very high	96.1	Very high	98 Å²	98	52 Å²	52	45%	0.454	25%	0.245	S	C	.	.			trans	-62.5	138.1	175.1	-65.4	-50.6	0	0	0	110.6	T321 R322 E324 K325	T321-H327 PolarHBondContact O-ND1 3.18Å; T321-H327 WeakPolarHBondContact OG1-CA 3.3Å; R322-H327 PolarHBondContact O-CE1 2.9Å; E324-H327 PolarHBondContact O-ND1 3.03Å; K325-H327 PolarHBondContact NZ-CE1 2.83Å; K325-H327 PolarHBondContact NZ-NE2 3.07Å
328	K	96.4	Very high	96.1	Very high	105 Å²	105	54.1 Å²	54.1	46%	0.457	25%	0.254	S	S	.	.			trans	-120.9	141.2	-179	-66.7	172.1	-178	165.8	0	109.8	T320 T321 E324	T320-K328 CarbonylContact C-O 3.45Å; T320-K328 WeakPolarHBondContact CA-O 3.1Å; T320-K328 VanDerWaalsContact CB-O 3.26Å; T320-K328 WeakPolarHBondContact CB-O 3.08Å; T321-K328 HydrophobicContact CG2-CB 4.16Å; T321-K328 PolarHBondContact N-O 3.12Å; T321-K328 PolarHBondContact OG1-N 3.28Å; E324-K328 WeakPolarHBondContact OE1-CE 3.37Å; E324-K328 IonicContact OE1-NZ 2.73Å; E324-K328 PolarHBondContact OE1-NZ 2.75Å
329	Y	97.4	Very high	96.1	Very high	140 Å²	140	57.8 Å²	57.8	55%	0.549	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-66.9	136.7	169.3	-175.3	-121.4	0	0	0	110.2	P319 T320 P331	P319-Y329 HydrophobicContact CB-CE2 4.09Å; P319-Y329 HydrophobicContact CG-CE2 4.33Å; P319-Y329 WeakPolarHBondContact O-CD2 3.35Å; P319-Y329 WeakPolarHBondContact O-CE2 3.26Å; T320-Y329 HydrophobicContact CG2-CD2 4.39Å; Y329-P331 HydrophobicContact CD1-CB 4.33Å; Y329-P331 HydrophobicContact CD1-CG 4.4Å; Y329-P331 HydrophobicContact CE1-CB 3.53Å; Y329-P331 HydrophobicContact CE1-CG 3.96Å; Y329-P331 HydrophobicContact CE2-CB 4.48Å
330	W	98.1	Very high	96.2	Very high	19 Å²	19	57.6 Å²	57.6	7%	0.072	27%	0.271	C	S	.	.			trans	-143.9	93.1	-175.4	-178.9	84.1	0	0	0	108.8	L296 P319 F332 I333 A422 F425	L296-W330 HydrophobicContact CD1-CH2 3.53Å; L296-W330 HydrophobicContact CD1-CZ2 3.66Å; L296-W330 HydrophobicContact CD2-CH2 4.44Å; L296-W330 HydrophobicContact CD2-CZ2 3.69Å; L296-W330 HydrophobicContact CG-CZ2 4.3Å; P319-W330 CarbonylContact C-O 3.6Å; P319-W330 VanDerWaalsContact CA-O 3.28Å; P319-W330 WeakPolarHBondContact CA-O 3.08Å; P319-W330 CarbonylContact O-C 3.41Å; P319-W330 PolarHBondContact O-N 2.83Å; P319-W330 VanDerWaalsContact O-O 3.05Å; W330-F332 AromaticContact CD1-CD2 3.58Å; W330-F332 AromaticContact CD1-CE2 3.64Å; W330-F332 AromaticContact CD2-CD2 3.99Å; W330-F332 HydrophobicContact CD2-CD2 3.99Å; W330-F332 AromaticContact CE2-CD2 3.48Å; W330-F332 VanDerWaalsContact CE2-CD2 3.48Å; W330-F332 HydrophobicContact CG-CD2 4.04Å; W330-F332 HydrophobicContact CG-CE2 4.44Å; W330-F332 HydrophobicContact CH2-CB 4.45Å; W330-F332 HydrophobicContact CZ2-CB 4.19Å; W330-F332 HydrophobicContact CZ2-CD2 4.02Å; W330-F332 HydrophobicContact CZ2-CG 4.46Å; W330-F332 AromaticContact NE1-CD2 3.22Å; W330-F332 AromaticContact NE1-CE2 3.47Å; W330-I333 HydrophobicContact CH2-CD1 3.91Å; W330-I333 HydrophobicContact CH2-CG1 3.97Å; W330-I333 HydrophobicContact CZ3-CD1 4.02Å; W330-I333 HydrophobicContact CZ3-CG1 4.1Å; W330-A422 HydrophobicContact CB-CB 3.73Å; W330-A422 HydrophobicContact CD2-CB 3.44Å; W330-A422 VanDerWaalsContact CD2-CB 3.44Å; W330-A422 HydrophobicContact CE3-CB 3.86Å; W330-A422 HydrophobicContact CG-CB 3.38Å; W330-F425 AromaticContact CH2-CD2 3.38Å; W330-F425 HydrophobicContact CH2-CD2 3.38Å; W330-F425 AromaticContact CH2-CE2 3.86Å; W330-F425 HydrophobicContact CH2-CE2 3.86Å; W330-F425 HydrophobicContact CH2-CG 4.26Å; W330-F425 HydrophobicContact CZ2-CB 4.39Å; W330-F425 AromaticContact CZ2-CD2 3.96Å; W330-F425 HydrophobicContact CZ2-CD2 3.96Å; W330-F425 HydrophobicContact CZ3-CD2 4.12Å; W330-F425 HydrophobicContact CZ3-CE2 4.33Å
331	P	97.8	Very high	96.2	Very high	28 Å²	28	56.7 Å²	56.7	18%	0.182	27%	0.266	C	S	.	.			trans	-89.4	-5.3	-161.8	32.3	-36.5	0	0	0	115.6	Y329 I333 D334 D335	Y329-P331 HydrophobicContact CD1-CB 4.33Å; Y329-P331 HydrophobicContact CD1-CG 4.4Å; Y329-P331 HydrophobicContact CE1-CB 3.53Å; Y329-P331 HydrophobicContact CE1-CG 3.96Å; Y329-P331 HydrophobicContact CE2-CB 4.48Å; P331-I333 PolarHBondContact O-N 3.14Å; P331-I333 VanDerWaalsContact O-N 3.16Å; P331-D334 CarbonylContact O-C 3.1Å; P331-D334 WeakPolarHBondContact O-CA 3.36Å; P331-D334 WeakPolarHBondContact O-CB 3.42Å; P331-D334 PolarHBondContact O-N 2.72Å; P331-D335 WeakPolarHBondContact CB-OD2 3.48Å; P331-D335 PolarHBondContact O-N 2.6Å
332	F	98.6	Very high	96.3	Very high	107 Å²	107	61 Å²	61	47%	0.469	28%	0.284	S	S	.	.	H	α-helix	trans	-54	-47.4	-159.4	-67.1	-88	0	0	0	115.3	L296 L300 W330 A336	L296-F332 HydrophobicContact CD1-CB 4.46Å; L300-F332 HydrophobicContact CD1-CB 4.38Å; L300-F332 HydrophobicContact CD2-CB 4.27Å; L300-F332 VanDerWaalsContact CD2-O 3.25Å; L300-F332 WeakPolarHBondContact CD2-O 3.5Å; W330-F332 AromaticContact CD1-CD2 3.58Å; W330-F332 AromaticContact CD1-CE2 3.64Å; W330-F332 AromaticContact CD2-CD2 3.99Å; W330-F332 HydrophobicContact CD2-CD2 3.99Å; W330-F332 AromaticContact CE2-CD2 3.48Å; W330-F332 VanDerWaalsContact CE2-CD2 3.48Å; W330-F332 HydrophobicContact CG-CD2 4.04Å; W330-F332 HydrophobicContact CG-CE2 4.44Å; W330-F332 HydrophobicContact CH2-CB 4.45Å; W330-F332 HydrophobicContact CZ2-CB 4.19Å; W330-F332 HydrophobicContact CZ2-CD2 4.02Å; W330-F332 HydrophobicContact CZ2-CG 4.46Å; W330-F332 AromaticContact NE1-CD2 3.22Å; W330-F332 AromaticContact NE1-CE2 3.47Å; F332-A336 WeakPolarHBondContact O-CB 3.4Å; F332-A336 PolarHBondContact O-N 3.09Å; F332-A336 VanDerWaalsContact O-N 3.13Å
333	I	98.8	Very high	96.5	Very high	3 Å²	3	65.8 Å²	65.8	2%	0.015	31%	0.308	C	S	.	.	H	α-helix	trans	-73	-37.6	178.3	-62.9	177.5	0	0	0	111	L296 I299 L300 I303 Y317 W330 P331 A336 I337 W420 F425	L296-I333 HydrophobicContact CD1-CD1 4.21Å; L296-I333 HydrophobicContact CD1-CG1 3.93Å; I299-I333 HydrophobicContact CD1-CD1 4.45Å; I299-I333 HydrophobicContact CG2-CD1 4.21Å; I299-I333 HydrophobicContact CG2-CG1 4.25Å; L300-I333 HydrophobicContact CD2-CG1 4.28Å; I303-I333 HydrophobicContact CD1-CG2 4.44Å; Y317-I333 HydrophobicContact CE2-CG2 4.23Å; W330-I333 HydrophobicContact CH2-CD1 3.91Å; W330-I333 HydrophobicContact CH2-CG1 3.97Å; W330-I333 HydrophobicContact CZ3-CD1 4.02Å; W330-I333 HydrophobicContact CZ3-CG1 4.1Å; P331-I333 PolarHBondContact O-N 3.14Å; P331-I333 VanDerWaalsContact O-N 3.16Å; I333-A336 PolarHBondContact O-N 2.87Å; I333-I337 HydrophobicContact CG2-CD1 4.02Å; I333-I337 WeakPolarHBondContact O-CG1 3.38Å; I333-I337 PolarHBondContact O-N 2.93Å; I333-W420 HydrophobicContact CD1-CB 4.3Å; I333-W420 HydrophobicContact CD1-CD2 4.16Å; I333-W420 HydrophobicContact CD1-CE3 4.4Å; I333-W420 HydrophobicContact CD1-CG 4.14Å; I333-W420 HydrophobicContact CG2-CD2 4.23Å; I333-W420 HydrophobicContact CG2-CE3 3.44Å; I333-W420 VanDerWaalsContact CG2-CE3 3.44Å; I333-W420 HydrophobicContact CG2-CH2 4.4Å; I333-W420 HydrophobicContact CG2-CZ3 3.52Å; I333-F425 HydrophobicContact CD1-CD2 4.47Å; I333-F425 HydrophobicContact CD1-CE2 3.63Å; I333-F425 HydrophobicContact CD1-CZ 3.92Å
334	D	98.6	Very high	96.8	Very high	6 Å²	6	64.3 Å²	64.3	3%	0.032	30%	0.299	C	S	.	.	H	α-helix	trans	-63	-46.8	178.9	-165.7	75.3	0	0	0	111.7	Y317 P319 P331 I337 K338 L369	Y317-D334 VanDerWaalsContact OH-CA 3.26Å; Y317-D334 WeakPolarHBondContact OH-CA 3.11Å; Y317-D334 WeakPolarHBondContact OH-CB 3.48Å; Y317-D334 PolarHBondContact OH-OD1 2.8Å; P319-D334 HydrophobicContact CB-CB 3.86Å; P331-D334 CarbonylContact O-C 3.1Å; P331-D334 WeakPolarHBondContact O-CA 3.36Å; P331-D334 WeakPolarHBondContact O-CB 3.42Å; P331-D334 PolarHBondContact O-N 2.72Å; D334-I337 PolarHBondContact O-N 3.3Å; D334-K338 VanDerWaalsContact O-CG 3.28Å; D334-K338 WeakPolarHBondContact O-CG 3.28Å; D334-K338 PolarHBondContact O-N 3.05Å; D334-K338 WeakPolarHBondContact OD2-CE 3.49Å; D334-K338 IonicContact OD2-NZ 2.77Å; D334-K338 PolarHBondContact OD2-NZ 3.02Å; D334-L369 WeakPolarHBondContact OD1-CD2 3.25Å
335	D	98.6	Very high	97.3	Very high	66 Å²	66	65.5 Å²	65.5	35%	0.353	30%	0.303	S	S	.	.	H	α-helix	trans	-63.4	-41.1	174.1	-73.6	-7.5	0	0	0	110.9	P331 I337 K338 M339	P331-D335 WeakPolarHBondContact CB-OD2 3.48Å; P331-D335 PolarHBondContact O-N 2.6Å; D335-I337 PolarHBondContact O-N 2.56Å; D335-K338 PolarHBondContact O-N 3.32Å; D335-M339 HydrophobicContact CB-CE 4.47Å; D335-M339 WeakPolarHBondContact O-CB 3.24Å; D335-M339 WeakPolarHBondContact O-CE 3.34Å; D335-M339 VanDerWaalsContact O-CG 3.29Å; D335-M339 WeakPolarHBondContact O-CG 3.43Å; D335-M339 PolarHBondContact O-N 3.06Å
336	A	98.8	Very high	97.7	Very high	8 Å²	8	58.3 Å²	58.3	7%	0.066	27%	0.272	C	S	.	.	H	α-helix	trans	-61.7	-42.5	177.2	0	0	0	0	0	112.4	L300 I303 F332 I333 A340	L300-A336 HydrophobicContact CD2-CB 3.68Å; I303-A336 HydrophobicContact CB-CB 4.47Å; I303-A336 HydrophobicContact CD1-CB 4.21Å; I303-A336 HydrophobicContact CG2-CB 4.08Å; I303-A336 WeakPolarHBondContact CG2-O 3.34Å; F332-A336 WeakPolarHBondContact O-CB 3.4Å; F332-A336 PolarHBondContact O-N 3.09Å; F332-A336 VanDerWaalsContact O-N 3.13Å; I333-A336 PolarHBondContact O-N 2.87Å; A336-A340 WeakPolarHBondContact O-CB 3.05Å; A336-A340 PolarHBondContact O-N 2.83Å
337	I	98.8	Very high	98	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.2	-51.4	173.6	-70.4	164.9	0	0	0	109.8	I303 Y317 I333 D334 D335 M339 A340 V341 V348 M350 L369 I381 W420	I303-I337 HydrophobicContact CD1-CG1 4.35Å; Y317-I337 HydrophobicContact CE2-CD1 4.24Å; I333-I337 HydrophobicContact CG2-CD1 4.02Å; I333-I337 WeakPolarHBondContact O-CG1 3.38Å; I333-I337 PolarHBondContact O-N 2.93Å; D334-I337 PolarHBondContact O-N 3.3Å; D335-I337 PolarHBondContact O-N 2.56Å; I337-M339 PolarHBondContact O-N 3.4Å; I337-A340 WeakPolarHBondContact O-CB 3.24Å; I337-A340 PolarHBondContact O-N 3.32Å; I337-A340 VanDerWaalsContact O-N 3.16Å; I337-V341 WeakPolarHBondContact O-CG2 3.34Å; I337-V341 PolarHBondContact O-N 3.19Å; I337-V341 VanDerWaalsContact O-N 3.08Å; I337-V348 HydrophobicContact CG2-CG1 4.13Å; I337-V348 HydrophobicContact CG2-CG2 4.33Å; I337-M350 HydrophobicContact CD1-CE 3.86Å; I337-M350 HydrophobicContact CD1-SD 3.95Å; I337-L369 HydrophobicContact CG2-CD2 4.31Å; I337-I381 HydrophobicContact CG2-CD1 3.72Å; I337-W420 HydrophobicContact CD1-CZ3 4.29Å
338	K	98.6	Very high	98.2	Very high	46 Å²	46	55.2 Å²	55.2	20%	0.2	25%	0.247	C	C	.	.	H	α-helix	trans	-59.2	-47.4	-179.3	-72.1	168.7	-179.7	175.5	0	112.1	D334 D335 A340 V341 F342 L369 M372	D334-K338 VanDerWaalsContact O-CG 3.28Å; D334-K338 WeakPolarHBondContact O-CG 3.28Å; D334-K338 PolarHBondContact O-N 3.05Å; D334-K338 WeakPolarHBondContact OD2-CE 3.49Å; D334-K338 IonicContact OD2-NZ 2.77Å; D334-K338 PolarHBondContact OD2-NZ 3.02Å; D335-K338 PolarHBondContact O-N 3.32Å; K338-A340 VanDerWaalsContact C-N 3.32Å; K338-A340 PolarHBondContact O-N 2.9Å; K338-V341 PolarHBondContact O-N 3.48Å; K338-F342 WeakPolarHBondContact O-CB 3.33Å; K338-F342 WeakPolarHBondContact O-CD2 3.32Å; K338-F342 PolarHBondContact O-N 3.25Å; K338-L369 HydrophobicContact CG-CD2 4.15Å; K338-M372 HydrophobicContact CD-CE 4.23Å; K338-M372 HydrophobicContact CD-SD 4.21Å; K338-M372 VanDerWaalsContact CE-CE 3.42Å; K338-M372 HydrophobicContact CG-SD 3.93Å
339	M	98.4	Very high	98.3	Very high	83 Å²	83	51.9 Å²	51.9	41%	0.409	23%	0.232	S	C	.	.	H	α-helix	trans	-59.3	-42.5	176	-72.5	-176	-65.2	0	0	111.6	D335 I337 V341 E343	D335-M339 HydrophobicContact CB-CE 4.47Å; D335-M339 WeakPolarHBondContact O-CB 3.24Å; D335-M339 WeakPolarHBondContact O-CE 3.34Å; D335-M339 VanDerWaalsContact O-CG 3.29Å; D335-M339 WeakPolarHBondContact O-CG 3.43Å; D335-M339 PolarHBondContact O-N 3.06Å; I337-M339 PolarHBondContact O-N 3.4Å; M339-V341 VanDerWaalsContact C-N 3.34Å; M339-V341 PolarHBondContact O-N 3.28Å; M339-E343 VanDerWaalsContact O-CB 3.29Å; M339-E343 WeakPolarHBondContact O-CB 3.33Å; M339-E343 PolarHBondContact O-N 2.9Å
340	A	98.6	Very high	98.4	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-58.9	-45	177.8	0	0	0	0	0	112.3	I303 A336 I337 K338 R344 K345 V346	I303-A340 HydrophobicContact CG2-CB 3.93Å; A336-A340 WeakPolarHBondContact O-CB 3.05Å; A336-A340 PolarHBondContact O-N 2.83Å; I337-A340 WeakPolarHBondContact O-CB 3.24Å; I337-A340 PolarHBondContact O-N 3.32Å; I337-A340 VanDerWaalsContact O-N 3.16Å; K338-A340 VanDerWaalsContact C-N 3.32Å; K338-A340 PolarHBondContact O-N 2.9Å; A340-R344 VanDerWaalsContact CA-NH2 3.27Å; A340-R344 VanDerWaalsContact CB-NH2 3.31Å; A340-R344 CarbonylContact O-C 3.34Å; A340-R344 WeakPolarHBondContact O-CB 3.49Å; A340-R344 PolarHBondContact O-N 3Å; A340-K345 PolarHBondContact O-N 3.32Å; A340-V346 HydrophobicContact CB-CB 4.1Å; A340-V346 HydrophobicContact CB-CG1 4.48Å; A340-V346 HydrophobicContact CB-CG2 4.45Å; A340-V346 WeakPolarHBondContact O-CB 3.46Å; A340-V346 PolarHBondContact O-N 3.38Å
341	V	98.2	Very high	98.4	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.012	20%	0.202	C	C	.	.	H	α-helix	trans	-74.2	-45.4	-178.3	-173	0	0	0	0	111.5	I337 K338 M339 K345 V348 I379 I381	I337-V341 WeakPolarHBondContact O-CG2 3.34Å; I337-V341 PolarHBondContact O-N 3.19Å; I337-V341 VanDerWaalsContact O-N 3.08Å; K338-V341 PolarHBondContact O-N 3.48Å; M339-V341 VanDerWaalsContact C-N 3.34Å; M339-V341 PolarHBondContact O-N 3.28Å; V341-K345 WeakPolarHBondContact O-CA 3.45Å; V341-K345 PolarHBondContact O-N 3.17Å; V341-V348 HydrophobicContact CG2-CB 3.98Å; V341-V348 HydrophobicContact CG2-CG2 3.39Å; V341-I379 HydrophobicContact CG1-CB 4.15Å; V341-I379 HydrophobicContact CG1-CG2 3.42Å; V341-I379 VanDerWaalsContact CG1-CG2 3.42Å; V341-I381 HydrophobicContact CG2-CB 4.35Å
342	F	98.1	Very high	98.5	Very high	94 Å²	94	43 Å²	43	41%	0.412	19%	0.193	S	C	.	.	H	α-helix	trans	-79.2	-45.3	-172.3	-83.4	-96.8	0	0	0	113.3	K338 K345 M372 I379	K338-F342 WeakPolarHBondContact O-CB 3.33Å; K338-F342 WeakPolarHBondContact O-CD2 3.32Å; K338-F342 PolarHBondContact O-N 3.25Å; F342-K345 WeakPolarHBondContact O-CE 3.39Å; F342-K345 PolarHBondContact O-NZ 3.49Å; F342-M372 HydrophobicContact CE2-CB 4.11Å; F342-M372 HydrophobicContact CE2-CG 4.49Å; F342-M372 HydrophobicContact CE2-SD 4.02Å; F342-M372 HydrophobicContact CZ-CB 4.27Å; F342-I379 HydrophobicContact CD1-CD1 3.8Å; F342-I379 HydrophobicContact CD1-CG1 4.46Å; F342-I379 HydrophobicContact CE1-CD1 3.47Å; F342-I379 VanDerWaalsContact CE1-CD1 3.47Å; F342-I379 HydrophobicContact CE1-CG1 4.43Å; F342-I379 HydrophobicContact CE2-CG2 4.13Å; F342-I379 HydrophobicContact CZ-CD1 3.98Å; F342-I379 HydrophobicContact CZ-CG2 4.16Å
343	E	97.6	Very high	98.5	Very high	137 Å²	137	37.9 Å²	37.9	64%	0.64	17%	0.171	S	C	*	.	H	α-helix	trans	-89.3	-35.8	-172	-56.1	179.3	177.7	0	0	112	M339	M339-E343 VanDerWaalsContact O-CB 3.29Å; M339-E343 WeakPolarHBondContact O-CB 3.33Å; M339-E343 PolarHBondContact O-N 2.9Å
344	R	97.4	Very high	98.4	Very high	85 Å²	85	37.7 Å²	37.7	32%	0.321	17%	0.17	S	C	.	.	H	α-helix	trans	-111	-4.1	-173.7	-60.6	-171	-61.5	-72.8	2.2	114.2	I303 S304 A340 V346	I303-R344 PolarHBondContact O-NH2 3.04Å; S304-R344 PolarHBondContact O-NE 3.16Å; A340-R344 VanDerWaalsContact CA-NH2 3.27Å; A340-R344 VanDerWaalsContact CB-NH2 3.31Å; A340-R344 CarbonylContact O-C 3.34Å; A340-R344 WeakPolarHBondContact O-CB 3.49Å; A340-R344 PolarHBondContact O-N 3Å; R344-V346 HydrophobicContact CB-CG2 3.87Å; R344-V346 PolarHBondContact O-N 3.29Å; R344-V346 VanDerWaalsContact O-N 3.16Å
345	K	97.9	Very high	98.2	Very high	98 Å²	98	37.5 Å²	37.5	43%	0.426	17%	0.169	S	C	.	.			trans	56.3	28.3	-179.5	-49.2	-53.7	-177.3	-168.6	0	113.3	A340 V341 F342 H378	A340-K345 PolarHBondContact O-N 3.32Å; V341-K345 WeakPolarHBondContact O-CA 3.45Å; V341-K345 PolarHBondContact O-N 3.17Å; F342-K345 WeakPolarHBondContact O-CE 3.39Å; F342-K345 PolarHBondContact O-NZ 3.49Å; K345-H378 HydrophobicContact CD-CB 4.37Å
346	V	98.6	Very high	98	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	18%	0.175	C	C	.	.			trans	-69.8	132.3	174.6	175.6	0	0	0	0	108.6	A306 V310 A340 R344	A306-V346 HydrophobicContact CB-CG1 4.25Å; A306-V346 VanDerWaalsContact O-CG2 3.3Å; A306-V346 WeakPolarHBondContact O-CG2 3.27Å; V310-V346 HydrophobicContact CB-CG1 4.43Å; V310-V346 HydrophobicContact CG2-CG1 3.79Å; A340-V346 HydrophobicContact CB-CB 4.1Å; A340-V346 HydrophobicContact CB-CG1 4.48Å; A340-V346 HydrophobicContact CB-CG2 4.45Å; A340-V346 WeakPolarHBondContact O-CB 3.46Å; A340-V346 PolarHBondContact O-N 3.38Å; R344-V346 HydrophobicContact CB-CG2 3.87Å; R344-V346 PolarHBondContact O-N 3.29Å; R344-V346 VanDerWaalsContact O-N 3.16Å
347	K	98.7	Very high	97.6	Very high	133 Å²	133	45.1 Å²	45.1	58%	0.578	20%	0.2	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78.1	125.6	176.7	-61.6	-177	179.4	-178.2	0	110.1	R308 F309 V310	R308-K347 PolarHBondContact O-N 3.28Å; R308-K347 VanDerWaalsContact O-N 3.08Å; F309-K347 CarbonylContact C-O 3.59Å; F309-K347 WeakPolarHBondContact CA-O 3.45Å; F309-K347 HydrophobicContact CB-CB 4.42Å; V310-K347 PolarHBondContact N-O 2.76Å
348	V	98.8	Very high	97.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	131.6	179	177	0	0	0	0	110.7	V310 I337 V341 M350 S380 I381 Q382	V310-V348 HydrophobicContact CB-CG2 4.23Å; V310-V348 CarbonylContact O-C 3.58Å; V310-V348 VanDerWaalsContact O-CA 3.3Å; V310-V348 WeakPolarHBondContact O-CA 3.38Å; I337-V348 HydrophobicContact CG2-CG1 4.13Å; I337-V348 HydrophobicContact CG2-CG2 4.33Å; V341-V348 HydrophobicContact CG2-CB 3.98Å; V341-V348 HydrophobicContact CG2-CG2 3.39Å; V348-M350 HydrophobicContact CG1-CG 3.91Å; V348-M350 HydrophobicContact CG1-SD 4.44Å; V348-S380 PolarHBondContact N-O 2.93Å; V348-I381 HydrophobicContact CB-CG1 4.3Å; V348-I381 HydrophobicContact CG1-CG1 4.29Å; V348-I381 WeakPolarHBondContact O-CA 3.4Å; V348-Q382 PolarHBondContact O-N 3.38Å
349	R	98.8	Very high	97.3	Very high	34 Å²	34	46.2 Å²	46.2	13%	0.128	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	129.2	167.8	-60.4	-173.5	-65.3	170.9	0.9	109.8	V310 D311 V312 Q382 F457 N458 W461	V310-R349 PolarHBondContact O-N 3.24Å; D311-R349 CarbonylContact C-O 3.55Å; D311-R349 WeakPolarHBondContact CA-O 3.33Å; D311-R349 VanDerWaalsContact CG-NH2 3.31Å; D311-R349 WeakPolarHBondContact OD1-CB 3.33Å; D311-R349 IonicContact OD1-CZ 3.85Å; D311-R349 IonicContact OD1-NE 3.78Å; D311-R349 PolarHBondContact OD1-NE 3.08Å; D311-R349 IonicContact OD1-NH2 3.98Å; D311-R349 PolarHBondContact OD1-NH2 3.33Å; D311-R349 IonicContact OD2-CZ 2.87Å; D311-R349 IonicContact OD2-NE 3.31Å; D311-R349 IonicContact OD2-NH2 2.86Å; D311-R349 PolarHBondContact OD2-NH2 2.87Å; V312-R349 PolarHBondContact N-O 3.05Å; R349-Q382 CarbonylContact C-O 3.51Å; R349-Q382 VanDerWaalsContact CA-O 3.3Å; R349-Q382 WeakPolarHBondContact CA-O 3.27Å; R349-Q382 HydrophobicContact CG-CB 4.43Å; R349-F457 HydrophobicContact CB-CE1 4Å; R349-F457 HydrophobicContact CB-CZ 3.81Å; R349-F457 VanDerWaalsContact CZ-CE1 3.49Å; R349-N458 PolarHBondContact NH1-OD1 2.88Å; R349-N458 PolarHBondContact NH2-OD1 3.18Å; R349-W461 HydrophobicContact CB-CE3 4.14Å; R349-W461 HydrophobicContact CB-CH2 3.74Å; R349-W461 HydrophobicContact CB-CZ2 4.15Å; R349-W461 HydrophobicContact CB-CZ3 3.74Å; R349-W461 HydrophobicContact CG-CH2 4.05Å; R349-W461 HydrophobicContact CG-CZ2 3.98Å; R349-W461 HydrophobicContact CG-CZ3 4.47Å
350	M	98.8	Very high	97.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	124.9	177.8	-55.6	177.9	74.5	0	0	110.3	V312 Y317 I337 V348 I352 L369 Q382 I383 K384	V312-M350 HydrophobicContact CB-CG 4.3Å; V312-M350 CarbonylContact O-C 3.59Å; V312-M350 WeakPolarHBondContact O-CA 3.3Å; Y317-M350 HydrophobicContact CD2-CE 3.75Å; Y317-M350 HydrophobicContact CE2-CE 3.87Å; Y317-M350 HydrophobicContact CG-CE 4.15Å; I337-M350 HydrophobicContact CD1-CE 3.86Å; I337-M350 HydrophobicContact CD1-SD 3.95Å; V348-M350 HydrophobicContact CG1-CG 3.91Å; V348-M350 HydrophobicContact CG1-SD 4.44Å; M350-I352 HydrophobicContact CB-CD1 4.18Å; M350-I352 HydrophobicContact CB-CG1 4.44Å; M350-I352 HydrophobicContact CE-CD1 4.27Å; M350-L369 HydrophobicContact SD-CD1 4.03Å; M350-Q382 PolarHBondContact N-O 2.88Å; M350-I383 HydrophobicContact CB-CG1 4.17Å; M350-I383 HydrophobicContact CB-CG2 4.41Å; M350-I383 WeakPolarHBondContact O-CA 3.44Å; M350-I383 HydrophobicContact SD-CD1 4.16Å; M350-I383 HydrophobicContact SD-CG1 4.41Å; M350-K384 PolarHBondContact O-N 2.89Å
351	L	98.8	Very high	97	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	106	177.4	-169.7	62.4	0	0	0	108.6	V312 A313 V314 K384 Y386 F457 D460 W461 A466	V312-L351 PolarHBondContact O-N 3.17Å; A313-L351 WeakPolarHBondContact CA-O 3.47Å; A313-L351 HydrophobicContact CB-CB 4.33Å; V314-L351 PolarHBondContact N-O 3.49Å; L351-K384 WeakPolarHBondContact CA-O 3.49Å; L351-K384 HydrophobicContact CD1-CB 3.83Å; L351-Y386 HydrophobicContact CD1-CD2 4.01Å; L351-Y386 HydrophobicContact CD1-CG 4.49Å; L351-Y386 HydrophobicContact CD2-CD2 3.75Å; L351-Y386 HydrophobicContact CD2-CE2 4.49Å; L351-Y386 HydrophobicContact CD2-CG 4.49Å; L351-Y386 HydrophobicContact CG-CD2 4.05Å; L351-Y386 HydrophobicContact CG-CG 4.43Å; L351-F457 HydrophobicContact CB-CE2 3.99Å; L351-F457 HydrophobicContact CB-CZ 4.35Å; L351-D460 HydrophobicContact CD2-CB 3.67Å; L351-W461 HydrophobicContact CB-CE3 4.33Å; L351-W461 HydrophobicContact CD1-CE3 4.28Å; L351-A466 HydrophobicContact CD1-CB 3.81Å
352	I	98.7	Very high	96.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	131	-170.4	-51.4	-60.3	0	0	0	109.9	V314 M350 M362 L366 I383 K384 L385 Y386	V314-I352 HydrophobicContact CG2-CD1 3.47Å; V314-I352 VanDerWaalsContact CG2-CD1 3.47Å; V314-I352 WeakPolarHBondContact O-CA 3.43Å; M350-I352 HydrophobicContact CB-CD1 4.18Å; M350-I352 HydrophobicContact CB-CG1 4.44Å; M350-I352 HydrophobicContact CE-CD1 4.27Å; I352-M362 HydrophobicContact CG2-CE 3.5Å; I352-M362 VanDerWaalsContact CG2-CE 3.5Å; I352-M362 HydrophobicContact CG2-SD 3.68Å; I352-L366 HydrophobicContact CB-CD1 4.3Å; I352-L366 HydrophobicContact CD1-CD2 4.46Å; I352-L366 HydrophobicContact CG1-CD1 4.31Å; I352-L366 HydrophobicContact CG1-CD2 3.87Å; I352-L366 HydrophobicContact CG2-CD1 4.09Å; I352-I383 HydrophobicContact CG1-CG2 4.15Å; I352-K384 PolarHBondContact N-O 2.96Å; I352-L385 HydrophobicContact CB-CD2 4.11Å; I352-L385 CarbonylContact O-C 3.56Å; I352-L385 VanDerWaalsContact O-CA 3.25Å; I352-L385 WeakPolarHBondContact O-CA 3.4Å; I352-Y386 PolarHBondContact O-N 3.35Å
353	S	98.3	Very high	96.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	139.9	177.4	-171	0	0	0	0	111.8	V314 N402	V314-S353 PolarHBondContact O-N 3.4Å; V314-S353 VanDerWaalsContact O-N 3.16Å; S353-N402 WeakPolarHBondContact CB-O 3.42Å; S353-N402 PolarHBondContact OG-N 2.93Å; S353-N402 PolarHBondContact OG-O 2.98Å
354	C	97.4	Very high	96.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.216	C	C	.	.			trans	-133.9	118.5	164.1	-168.2	0	0	0	0	110.2	L385 Y386 I387 C478	C354-L385 HydrophobicContact CB-CB 4.17Å; C354-L385 HydrophobicContact CB-CD1 4.17Å; C354-Y386 PolarHBondContact N-O 2.93Å; C354-I387 HydrophobicContact CB-CG1 4.16Å; C354-C478 HydrophobicContact CB-CB 3.89Å; C354-C478 WeakPolarHBondContact CB-SG 3.42Å; C354-C478 VanDerWaalsContact SG-C 3.58Å; C354-C478 WeakPolarHBondContact SG-CA 3.47Å; C354-C478 WeakPolarHBondContact SG-CB 3.12Å; C354-C478 CovalentContact SG-SG 2.03Å; C354-C478 PolarHBondContact SG-SG 3.28Å
355	G	95.3	Very high	96.8	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.01	21%	0.212	C	C	.	.			trans	-123.5	-176.4	170.9	0	0	0	0	0	111	D357 S358 D477 A479	G355-D357 PolarHBondContact O-N 3.4Å; G355-S358 PolarHBondContact N-OG 3.45Å; G355-S358 WeakPolarHBondContact O-CB 3.36Å; G355-S358 PolarHBondContact O-N 3.27Å; G355-S358 PolarHBondContact O-OG 2.9Å; G355-D477 CarbonylContact C-O 3.57Å; G355-D477 VanDerWaalsContact CA-O 3.25Å; G355-D477 WeakPolarHBondContact CA-O 3.45Å; G355-A479 WeakPolarHBondContact O-CB 3.25Å; G355-A479 PolarHBondContact O-N 2.93Å
356	R	93.2	Very high	96.8	Very high	125 Å²	125	36.8 Å²	36.8	47%	0.472	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-25.7	178.6	-66.3	-174	179.6	170.3	3.4	114.2	V390 P476 D477 A479	R356-V390 HydrophobicContact CG-CG2 4.41Å; R356-P476 PolarHBondContact NE-O 3.47Å; R356-D477 IonicContact CZ-OD1 3.08Å; R356-D477 VanDerWaalsContact CZ-OD1 3.31Å; R356-D477 PolarHBondContact N-O 2.97Å; R356-D477 IonicContact NE-OD1 3.62Å; R356-D477 PolarHBondContact NE-OD1 2.93Å; R356-D477 VanDerWaalsContact NE-OD1 3.08Å; R356-D477 IonicContact NH2-OD1 2.59Å; R356-D477 PolarHBondContact NH2-OD1 2.67Å; R356-A479 WeakPolarHBondContact O-CB 3.37Å
357	D	91.5	Very high	96.8	Very high	110 Å²	110	40.8 Å²	40.8	59%	0.588	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.8	5.6	179.9	-59.4	-47.6	0	0	0	113.1	G355	G355-D357 PolarHBondContact O-N 3.4Å
358	S	95.4	Very high	96.7	Very high	12 Å²	12	37.1 Å²	37.1	8%	0.084	20%	0.204	C	C	.	.	S	Bend	trans	-65.1	142.4	176.9	-70.9	0	0	0	0	111	G355 P360 A479	G355-S358 PolarHBondContact N-OG 3.45Å; G355-S358 WeakPolarHBondContact O-CB 3.36Å; G355-S358 PolarHBondContact O-N 3.27Å; G355-S358 PolarHBondContact O-OG 2.9Å; S358-P360 VanDerWaalsContact O-CD 3.25Å; S358-P360 WeakPolarHBondContact O-CD 3.3Å; S358-A479 WeakPolarHBondContact O-CB 3.26Å
359	D	95.1	Very high	96.6	Very high	56 Å²	56	37.1 Å²	37.1	30%	0.299	20%	0.204	S	C	.	.			trans	-75.3	117.9	178.8	-169.2	-34.8	0	0	0	111.4	F318 R322 A361 M362	F318-D359 HydrophobicContact CZ-CB 4.1Å; R322-D359 IonicContact CZ-OD2 2.62Å; R322-D359 IonicContact NH1-OD2 2.67Å; R322-D359 IonicContact NH2-OD2 3.76Å; R322-D359 PolarHBondContact NH2-OD2 3.47Å; D359-A361 PolarHBondContact O-N 3.3Å; D359-A361 VanDerWaalsContact O-N 3.14Å; D359-A361 WeakPolarHBondContact OD1-CB 3.42Å; D359-A361 PolarHBondContact OD1-N 2.93Å; D359-M362 VanDerWaalsContact O-CB 3.31Å; D359-M362 WeakPolarHBondContact O-CB 3.4Å; D359-M362 PolarHBondContact O-N 3.24Å; D359-M362 VanDerWaalsContact O-N 3.09Å
360	P	95.2	Very high	96.5	Very high	73 Å²	73	36.9 Å²	36.9	47%	0.474	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-61.8	-20.9	179.9	-21.8	34.3	0	0	0	114.2	S358 M362 L363	S358-P360 VanDerWaalsContact O-CD 3.25Å; S358-P360 WeakPolarHBondContact O-CD 3.3Å; P360-M362 PolarHBondContact O-N 2.87Å; P360-M362 VanDerWaalsContact O-N 3.12Å; P360-L363 WeakPolarHBondContact O-CB 3.39Å; P360-L363 PolarHBondContact O-N 3.1Å; P360-L363 VanDerWaalsContact O-N 3.07Å
361	A	95.3	Very high	96.4	Very high	50 Å²	50	41.4 Å²	41.4	41%	0.413	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-64.6	-12.1	175.9	0	0	0	0	0	113.2	F318 D359 L363 P364 F365	F318-A361 HydrophobicContact CE1-CB 4.22Å; D359-A361 PolarHBondContact O-N 3.3Å; D359-A361 VanDerWaalsContact O-N 3.14Å; D359-A361 WeakPolarHBondContact OD1-CB 3.42Å; D359-A361 PolarHBondContact OD1-N 2.93Å; A361-L363 VanDerWaalsContact C-N 3.34Å; A361-P364 WeakPolarHBondContact O-CD 3.32Å; A361-F365 WeakPolarHBondContact O-CD2 3.21Å; A361-F365 WeakPolarHBondContact O-CE2 3.1Å
362	M	96.7	Very high	96.3	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.01	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-66.7	-35.7	171.3	-172.8	162	63.3	0	0	112.1	E316 Y317 F318 I352 D359 P360 F365 L366 L480	E316-M362 HydrophobicContact CB-SD 4.48Å; Y317-M362 PolarHBondContact N-SD 2.93Å; Y317-M362 VanDerWaalsContact N-SD 3.38Å; Y317-M362 WeakPolarHBondContact O-CG 3.3Å; F318-M362 HydrophobicContact CE1-CB 4.08Å; F318-M362 HydrophobicContact CE2-CB 3.85Å; F318-M362 HydrophobicContact CE2-CG 4.08Å; F318-M362 HydrophobicContact CE2-SD 4.07Å; F318-M362 HydrophobicContact CZ-CB 3.46Å; F318-M362 VanDerWaalsContact CZ-CB 3.46Å; F318-M362 HydrophobicContact CZ-CG 4.16Å; I352-M362 HydrophobicContact CG2-CE 3.5Å; I352-M362 VanDerWaalsContact CG2-CE 3.5Å; I352-M362 HydrophobicContact CG2-SD 3.68Å; D359-M362 VanDerWaalsContact O-CB 3.31Å; D359-M362 WeakPolarHBondContact O-CB 3.4Å; D359-M362 PolarHBondContact O-N 3.24Å; D359-M362 VanDerWaalsContact O-N 3.09Å; P360-M362 PolarHBondContact O-N 2.87Å; P360-M362 VanDerWaalsContact O-N 3.12Å; M362-F365 PolarHBondContact O-N 2.92Å; M362-F365 VanDerWaalsContact O-N 3.15Å; M362-L366 HydrophobicContact CE-CD1 4.31Å; M362-L366 HydrophobicContact CG-CD1 3.9Å; M362-L366 HydrophobicContact CG-CD2 4.46Å; M362-L366 HydrophobicContact CG-CG 3.98Å; M362-L366 PolarHBondContact O-N 2.83Å; M362-L366 HydrophobicContact SD-CD1 4.45Å; M362-L480 HydrophobicContact CB-CD2 4.3Å; M362-L480 HydrophobicContact CE-CD1 4.13Å; M362-L480 HydrophobicContact CE-CD2 3.66Å
363	L	96.6	Very high	96.2	Very high	39 Å²	39	46.3 Å²	46.3	20%	0.204	27%	0.266	C	S	.	.	H	α-helix	trans	-57.9	-45.8	-168.7	179.3	66.4	0	0	0	113.9	P360 A361 F365 L366 L367 L469 L480	P360-L363 WeakPolarHBondContact O-CB 3.39Å; P360-L363 PolarHBondContact O-N 3.1Å; P360-L363 VanDerWaalsContact O-N 3.07Å; A361-L363 VanDerWaalsContact C-N 3.34Å; L363-F365 VanDerWaalsContact C-N 3.26Å; L363-F365 PolarHBondContact O-N 3.26Å; L363-L366 PolarHBondContact O-N 2.78Å; L363-L366 VanDerWaalsContact O-N 3.16Å; L363-L367 HydrophobicContact CD1-CD1 4.12Å; L363-L367 HydrophobicContact CD1-CD2 4.47Å; L363-L367 HydrophobicContact CD1-CG 3.99Å; L363-L367 HydrophobicContact CD2-CD1 4.32Å; L363-L367 HydrophobicContact CG-CD1 3.81Å; L363-L367 HydrophobicContact CG-CG 4.15Å; L363-L367 WeakPolarHBondContact O-CG 3.3Å; L363-L367 PolarHBondContact O-N 3.03Å; L363-L469 HydrophobicContact CD1-CD2 4.04Å; L363-L480 HydrophobicContact CB-CB 4.45Å; L363-L480 HydrophobicContact CB-CD2 4.11Å; L363-L480 HydrophobicContact CB-CG 4.08Å; L363-L480 HydrophobicContact CD1-CB 4.49Å; L363-L480 HydrophobicContact CD1-CD2 4.38Å; L363-L480 WeakPolarHBondContact CD2-O 3.44Å
364	P	96.4	Very high	96.1	Very high	80 Å²	80	51.7 Å²	51.7	52%	0.519	29%	0.287	S	S	.	.	H	α-helix	trans	-57.9	-35.5	178.7	-26.7	36.5	0	0	0	114	A361 S368	A361-P364 WeakPolarHBondContact O-CD 3.32Å; P364-S368 WeakPolarHBondContact O-CB 3.18Å; P364-S368 PolarHBondContact O-N 3.05Å
365	F	97.6	Very high	96	Very high	58 Å²	58	55.8 Å²	55.8	25%	0.254	31%	0.314	S	S	.	.	H	α-helix	trans	-70	-40.8	177.6	-59.5	-65.3	0	0	0	111.7	F318 P319 T320 A361 M362 L363 S368 L369	F318-F365 HydrophobicContact CD1-CD2 4.04Å; F318-F365 AromaticContact CD1-CE2 3.88Å; F318-F365 HydrophobicContact CD1-CE2 3.88Å; F318-F365 HydrophobicContact CE1-CD2 4.45Å; F318-F365 HydrophobicContact CE1-CE2 4.35Å; P319-F365 VanDerWaalsContact CD-CG 3.46Å; P319-F365 HydrophobicContact CG-CB 4.16Å; P319-F365 HydrophobicContact CG-CD1 3.32Å; P319-F365 HydrophobicContact CG-CE1 3.76Å; P319-F365 HydrophobicContact CG-CG 3.77Å; T320-F365 HydrophobicContact CG2-CE1 4.02Å; T320-F365 HydrophobicContact CG2-CE2 4.32Å; T320-F365 HydrophobicContact CG2-CZ 3.57Å; A361-F365 WeakPolarHBondContact O-CD2 3.21Å; A361-F365 WeakPolarHBondContact O-CE2 3.1Å; M362-F365 PolarHBondContact O-N 2.92Å; M362-F365 VanDerWaalsContact O-N 3.15Å; L363-F365 VanDerWaalsContact C-N 3.26Å; L363-F365 PolarHBondContact O-N 3.26Å; F365-S368 WeakPolarHBondContact O-CB 3.42Å; F365-S368 PolarHBondContact O-N 2.92Å; F365-L369 PolarHBondContact O-N 2.9Å; F365-L369 VanDerWaalsContact O-N 3.16Å
366	L	98.1	Very high	96.1	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-64.5	-43.2	175.1	-59.6	-177.7	0	0	0	111.6	Y317 I352 M362 L363 S368 L369 A370 I383 L385 L469 L480	Y317-L366 HydrophobicContact CD1-CD2 3.83Å; Y317-L366 HydrophobicContact CG-CD2 4.35Å; I352-L366 HydrophobicContact CB-CD1 4.3Å; I352-L366 HydrophobicContact CD1-CD2 4.46Å; I352-L366 HydrophobicContact CG1-CD1 4.31Å; I352-L366 HydrophobicContact CG1-CD2 3.87Å; I352-L366 HydrophobicContact CG2-CD1 4.09Å; M362-L366 HydrophobicContact CE-CD1 4.31Å; M362-L366 HydrophobicContact CG-CD1 3.9Å; M362-L366 HydrophobicContact CG-CD2 4.46Å; M362-L366 HydrophobicContact CG-CG 3.98Å; M362-L366 PolarHBondContact O-N 2.83Å; M362-L366 HydrophobicContact SD-CD1 4.45Å; L363-L366 PolarHBondContact O-N 2.78Å; L363-L366 VanDerWaalsContact O-N 3.16Å; L366-S368 VanDerWaalsContact C-N 3.34Å; L366-S368 PolarHBondContact O-N 3.01Å; L366-L369 PolarHBondContact O-N 3.18Å; L366-A370 VanDerWaalsContact O-CB 3.3Å; L366-A370 WeakPolarHBondContact O-CB 3.48Å; L366-A370 PolarHBondContact O-N 3.16Å; L366-I383 HydrophobicContact CD2-CG2 4.37Å; L366-I383 WeakPolarHBondContact O-CD1 3.35Å; L366-L385 HydrophobicContact CD1-CD2 3.8Å; L366-L469 HydrophobicContact CB-CD1 4.04Å; L366-L469 HydrophobicContact CB-CD2 4.45Å; L366-L469 HydrophobicContact CD1-CD2 4.5Å; L366-L480 HydrophobicContact CD1-CD2 4.01Å
367	L	97.2	Very high	96.2	Very high	84 Å²	84	61.5 Å²	61.5	44%	0.44	35%	0.349	S	S	.	.	H	α-helix	trans	-63.1	-41.1	176.4	-71.2	172.7	0	0	0	111.7	L363 A370 S371 L469	L363-L367 HydrophobicContact CD1-CD1 4.12Å; L363-L367 HydrophobicContact CD1-CD2 4.47Å; L363-L367 HydrophobicContact CD1-CG 3.99Å; L363-L367 HydrophobicContact CD2-CD1 4.32Å; L363-L367 HydrophobicContact CG-CD1 3.81Å; L363-L367 HydrophobicContact CG-CG 4.15Å; L363-L367 WeakPolarHBondContact O-CG 3.3Å; L363-L367 PolarHBondContact O-N 3.03Å; L367-A370 PolarHBondContact O-N 2.83Å; L367-S371 WeakPolarHBondContact O-CB 3.39Å; L367-S371 PolarHBondContact O-N 3.32Å; L367-L469 HydrophobicContact CD2-CB 4.46Å; L367-L469 HydrophobicContact CD2-CD1 4.44Å
368	S	97.2	Very high	96.3	Very high	56 Å²	56	63.1 Å²	63.1	39%	0.392	35%	0.353	S	S	.	.	H	α-helix	trans	-57.3	-50.6	176.3	-178	0	0	0	0	111.9	P364 F365 L366 S371	P364-S368 WeakPolarHBondContact O-CB 3.18Å; P364-S368 PolarHBondContact O-N 3.05Å; F365-S368 WeakPolarHBondContact O-CB 3.42Å; F365-S368 PolarHBondContact O-N 2.92Å; L366-S368 VanDerWaalsContact C-N 3.34Å; L366-S368 PolarHBondContact O-N 3.01Å; S368-S371 PolarHBondContact O-N 3.08Å; S368-S371 PolarHBondContact O-OG 3.29Å
369	L	97.2	Very high	96.5	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-63.6	-46.3	175.7	-79.9	177.6	0	0	0	112.5	Y317 D334 I337 K338 M350 F365 L366 S371 M372 I381 I383	Y317-L369 HydrophobicContact CE1-CD1 3.57Å; D334-L369 WeakPolarHBondContact OD1-CD2 3.25Å; I337-L369 HydrophobicContact CG2-CD2 4.31Å; K338-L369 HydrophobicContact CG-CD2 4.15Å; M350-L369 HydrophobicContact SD-CD1 4.03Å; F365-L369 PolarHBondContact O-N 2.9Å; F365-L369 VanDerWaalsContact O-N 3.16Å; L366-L369 PolarHBondContact O-N 3.18Å; L369-S371 PolarHBondContact O-N 2.92Å; L369-M372 WeakPolarHBondContact O-CB 3.26Å; L369-M372 PolarHBondContact O-N 2.81Å; L369-M372 VanDerWaalsContact O-N 3.1Å; L369-I381 HydrophobicContact CB-CD1 3.85Å; L369-I381 HydrophobicContact CD2-CD1 3.89Å; L369-I381 HydrophobicContact CG-CD1 4.32Å; L369-I381 WeakPolarHBondContact O-CG2 3.5Å; L369-I383 HydrophobicContact CB-CD1 3.61Å; L369-I383 HydrophobicContact CD1-CD1 4.29Å
370	A	96.6	Very high	96.6	Very high	29 Å²	29	61.7 Å²	61.7	24%	0.24	35%	0.347	C	S	.	.	H	α-helix	trans	-62.3	-31.6	-179.4	0	0	0	0	0	112.5	L366 L367 M372 D373 I383 L469	L366-A370 VanDerWaalsContact O-CB 3.3Å; L366-A370 WeakPolarHBondContact O-CB 3.48Å; L366-A370 PolarHBondContact O-N 3.16Å; L367-A370 PolarHBondContact O-N 2.83Å; A370-M372 PolarHBondContact O-N 2.93Å; A370-M372 VanDerWaalsContact O-N 3.16Å; A370-D373 PolarHBondContact O-N 2.88Å; A370-I383 HydrophobicContact CB-CB 4.5Å; A370-I383 HydrophobicContact CB-CD1 4.25Å; A370-I383 HydrophobicContact CB-CG1 4.41Å; A370-L469 HydrophobicContact CB-CD1 3.78Å
371	S	96.4	Very high	96.7	Very high	95 Å²	95	58.5 Å²	58.5	66%	0.664	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-15.9	177.3	79.2	0	0	0	0	114.1	L367 S368 L369 D373	L367-S371 WeakPolarHBondContact O-CB 3.39Å; L367-S371 PolarHBondContact O-N 3.32Å; S368-S371 PolarHBondContact O-N 3.08Å; S368-S371 PolarHBondContact O-OG 3.29Å; L369-S371 PolarHBondContact O-N 2.92Å; S371-D373 VanDerWaalsContact C-N 3.34Å
372	M	96.3	Very high	96.9	Very high	47 Å²	47	59.6 Å²	59.6	23%	0.232	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-10.4	179.8	-57.5	-174.8	-179.1	0	0	112.8	K338 F342 L369 A370 Y374 I379 I381	K338-M372 HydrophobicContact CD-CE 4.23Å; K338-M372 HydrophobicContact CD-SD 4.21Å; K338-M372 VanDerWaalsContact CE-CE 3.42Å; K338-M372 HydrophobicContact CG-SD 3.93Å; F342-M372 HydrophobicContact CE2-CB 4.11Å; F342-M372 HydrophobicContact CE2-CG 4.49Å; F342-M372 HydrophobicContact CE2-SD 4.02Å; F342-M372 HydrophobicContact CZ-CB 4.27Å; L369-M372 WeakPolarHBondContact O-CB 3.26Å; L369-M372 PolarHBondContact O-N 2.81Å; L369-M372 VanDerWaalsContact O-N 3.1Å; A370-M372 PolarHBondContact O-N 2.93Å; A370-M372 VanDerWaalsContact O-N 3.16Å; M372-Y374 PolarHBondContact O-N 2.92Å; M372-Y374 VanDerWaalsContact O-N 3.14Å; M372-I379 WeakPolarHBondContact O-CG2 3.49Å; M372-I381 HydrophobicContact CB-CG2 4.06Å
373	D	97.3	Very high	96.9	Very high	55 Å²	55	59.9 Å²	59.9	29%	0.294	32%	0.323	S	S	.	.			trans	-60.4	117	177.8	-165.7	60.8	0	0	0	110.4	A370 S371 S380 I381	A370-D373 PolarHBondContact O-N 2.88Å; S371-D373 VanDerWaalsContact C-N 3.34Å; D373-S380 VanDerWaalsContact OD1-CA 3.28Å; D373-S380 WeakPolarHBondContact OD1-CA 3.41Å; D373-I381 HydrophobicContact CB-CG2 4.03Å; D373-I381 WeakPolarHBondContact CB-O 3.48Å; D373-I381 PolarHBondContact OD1-N 2.87Å
374	Y	97.1	Very high	97	Very high	113 Å²	113	59 Å²	59	44%	0.443	32%	0.318	S	S	.	.	B	Isolated β-bridge	trans	-145.8	81	-177.7	-164.3	-130.9	0	0	0	111	M372 L376 H377 I379	M372-Y374 PolarHBondContact O-N 2.92Å; M372-Y374 VanDerWaalsContact O-N 3.14Å; Y374-L376 HydrophobicContact CE1-CB 4.3Å; Y374-L376 HydrophobicContact CE2-CB 4.35Å; Y374-L376 HydrophobicContact CE2-CD1 4.05Å; Y374-L376 PolarHBondContact O-N 3.26Å; Y374-L376 VanDerWaalsContact O-N 3.1Å; Y374-H377 HydrophobicContact CD1-CB 3.87Å; Y374-H377 AromaticContact CD1-CD2 3.42Å; Y374-H377 VanDerWaalsContact CD1-CD2 3.42Å; Y374-H377 WeakPolarHBondContact CD1-CD2 3.45Å; Y374-H377 AromaticContact CD1-CG 3.78Å; Y374-H377 HydrophobicContact CE1-CB 4.37Å; Y374-H377 AromaticContact CE1-CD2 3Å; Y374-H377 WeakPolarHBondContact CE1-CD2 3.36Å; Y374-H377 AromaticContact CE1-CG 3.79Å; Y374-H377 AromaticContact CE1-NE2 3.49Å; Y374-H377 WeakPolarHBondContact CE1-NE2 3.49Å; Y374-H377 AromaticContact CZ-CD2 3.98Å; Y374-H377 PolarHBondContact O-N 3.24Å; Y374-I379 CarbonylContact C-O 3.56Å; Y374-I379 PolarHBondContact N-O 3.47Å; Y374-I379 PolarHBondContact O-N 2.82Å
375	P	95.2	Very high	97.1	Very high	86 Å²	86	55.2 Å²	55.2	56%	0.558	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-57.4	-29	-173.3	-29.4	36.5	0	0	0	114.8	H377 H378	P375-H377 PolarHBondContact O-N 3.08Å; P375-H378 PolarHBondContact O-N 2.85Å
376	L	95.7	Very high	97.2	Very high	137 Å²	137	52.4 Å²	52.4	72%	0.717	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-59.7	-26.3	177	-70.2	175.3	0	0	0	113.1	Y374	Y374-L376 HydrophobicContact CE1-CB 4.3Å; Y374-L376 HydrophobicContact CE2-CB 4.35Å; Y374-L376 HydrophobicContact CE2-CD1 4.05Å; Y374-L376 PolarHBondContact O-N 3.26Å; Y374-L376 VanDerWaalsContact O-N 3.1Å
377	H	95.3	Very high	97.1	Very high	110 Å²	110	52.8 Å²	52.8	51%	0.509	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-108.9	18.5	176.2	-74.4	-117.8	0	0	0	112.5	Y374 P375 I379	Y374-H377 HydrophobicContact CD1-CB 3.87Å; Y374-H377 AromaticContact CD1-CD2 3.42Å; Y374-H377 VanDerWaalsContact CD1-CD2 3.42Å; Y374-H377 WeakPolarHBondContact CD1-CD2 3.45Å; Y374-H377 AromaticContact CD1-CG 3.78Å; Y374-H377 HydrophobicContact CE1-CB 4.37Å; Y374-H377 AromaticContact CE1-CD2 3Å; Y374-H377 WeakPolarHBondContact CE1-CD2 3.36Å; Y374-H377 AromaticContact CE1-CG 3.79Å; Y374-H377 AromaticContact CE1-NE2 3.49Å; Y374-H377 WeakPolarHBondContact CE1-NE2 3.49Å; Y374-H377 AromaticContact CZ-CD2 3.98Å; Y374-H377 PolarHBondContact O-N 3.24Å; P375-H377 PolarHBondContact O-N 3.08Å; H377-I379 HydrophobicContact CB-CD1 3.97Å; H377-I379 HydrophobicContact CB-CG1 4.21Å; H377-I379 PolarHBondContact O-N 2.82Å
378	H	95.6	Very high	97.1	Very high	143 Å²	143	48.8 Å²	48.8	66%	0.662	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	29.3	-176.3	-50.8	-65.8	0	0	0	113.5	K345 P375	K345-H378 HydrophobicContact CD-CB 4.37Å; P375-H378 PolarHBondContact O-N 2.85Å
379	I	97.9	Very high	96.9	Very high	12 Å²	12	48.6 Å²	48.6	6%	0.062	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-94.1	116.5	174.2	-63.2	167.8	0	0	0	106.4	V341 F342 M372 Y374 H377	V341-I379 HydrophobicContact CG1-CB 4.15Å; V341-I379 HydrophobicContact CG1-CG2 3.42Å; V341-I379 VanDerWaalsContact CG1-CG2 3.42Å; F342-I379 HydrophobicContact CD1-CD1 3.8Å; F342-I379 HydrophobicContact CD1-CG1 4.46Å; F342-I379 HydrophobicContact CE1-CD1 3.47Å; F342-I379 VanDerWaalsContact CE1-CD1 3.47Å; F342-I379 HydrophobicContact CE1-CG1 4.43Å; F342-I379 HydrophobicContact CE2-CG2 4.13Å; F342-I379 HydrophobicContact CZ-CD1 3.98Å; F342-I379 HydrophobicContact CZ-CG2 4.16Å; M372-I379 WeakPolarHBondContact O-CG2 3.49Å; Y374-I379 CarbonylContact C-O 3.56Å; Y374-I379 PolarHBondContact N-O 3.47Å; Y374-I379 PolarHBondContact O-N 2.82Å; H377-I379 HydrophobicContact CB-CD1 3.97Å; H377-I379 HydrophobicContact CB-CG1 4.21Å; H377-I379 PolarHBondContact O-N 2.82Å
380	S	98	Very high	96.6	Very high	27 Å²	27	49.1 Å²	49.1	19%	0.189	26%	0.263	C	S	.	.			trans	-128.5	107.5	-175.8	-173	0	0	0	0	111.3	V348 D373	V348-S380 PolarHBondContact N-O 2.93Å; D373-S380 VanDerWaalsContact OD1-CA 3.28Å; D373-S380 WeakPolarHBondContact OD1-CA 3.41Å
381	I	97.7	Very high	96	Very high	5 Å²	5	50.4 Å²	50.4	3%	0.026	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	112.4	174	-177.8	164	0	0	0	109.4	I337 V341 V348 L369 M372 D373	I337-I381 HydrophobicContact CG2-CD1 3.72Å; V341-I381 HydrophobicContact CG2-CB 4.35Å; V348-I381 HydrophobicContact CB-CG1 4.3Å; V348-I381 HydrophobicContact CG1-CG1 4.29Å; V348-I381 WeakPolarHBondContact O-CA 3.4Å; L369-I381 HydrophobicContact CB-CD1 3.85Å; L369-I381 HydrophobicContact CD2-CD1 3.89Å; L369-I381 HydrophobicContact CG-CD1 4.32Å; L369-I381 WeakPolarHBondContact O-CG2 3.5Å; M372-I381 HydrophobicContact CB-CG2 4.06Å; D373-I381 HydrophobicContact CB-CG2 4.03Å; D373-I381 WeakPolarHBondContact CB-O 3.48Å; D373-I381 PolarHBondContact OD1-N 2.87Å
382	Q	98.1	Very high	95.2	Very high	74 Å²	74	53.5 Å²	53.5	35%	0.346	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	132.2	-177.7	-62.5	-175.5	-18	0	0	110	V348 R349 M350 W461	V348-Q382 PolarHBondContact O-N 3.38Å; R349-Q382 CarbonylContact C-O 3.51Å; R349-Q382 VanDerWaalsContact CA-O 3.3Å; R349-Q382 WeakPolarHBondContact CA-O 3.27Å; R349-Q382 HydrophobicContact CG-CB 4.43Å; M350-Q382 PolarHBondContact N-O 2.88Å; Q382-W461 HydrophobicContact CB-CH2 3.73Å; Q382-W461 HydrophobicContact CB-CZ2 3.82Å
383	I	98.4	Very high	94.5	Very high	8 Å²	8	53.1 Å²	53.1	4%	0.041	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	130.2	178.6	-53.3	-175	0	0	0	109	M350 I352 L366 L369 A370 L469	M350-I383 HydrophobicContact CB-CG1 4.17Å; M350-I383 HydrophobicContact CB-CG2 4.41Å; M350-I383 WeakPolarHBondContact O-CA 3.44Å; M350-I383 HydrophobicContact SD-CD1 4.16Å; M350-I383 HydrophobicContact SD-CG1 4.41Å; I352-I383 HydrophobicContact CG1-CG2 4.15Å; L366-I383 HydrophobicContact CD2-CG2 4.37Å; L366-I383 WeakPolarHBondContact O-CD1 3.35Å; L369-I383 HydrophobicContact CB-CD1 3.61Å; L369-I383 HydrophobicContact CD1-CD1 4.29Å; A370-I383 HydrophobicContact CB-CB 4.5Å; A370-I383 HydrophobicContact CB-CD1 4.25Å; A370-I383 HydrophobicContact CB-CG1 4.41Å; I383-L469 HydrophobicContact CB-CD1 3.82Å; I383-L469 HydrophobicContact CB-CG 4.5Å; I383-L469 HydrophobicContact CG2-CD1 3.83Å; I383-L469 HydrophobicContact CG2-CG 4.31Å
384	K	98.6	Very high	93.5	Very high	19 Å²	19	53.7 Å²	53.7	8%	0.083	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	146.2	172.2	-71.8	-172.9	170.1	-160.3	0	110	M350 L351 I352 W461 A466 V467 H468	M350-K384 PolarHBondContact O-N 2.89Å; L351-K384 WeakPolarHBondContact CA-O 3.49Å; L351-K384 HydrophobicContact CD1-CB 3.83Å; I352-K384 PolarHBondContact N-O 2.96Å; K384-W461 HydrophobicContact CB-CE3 4.46Å; K384-W461 HydrophobicContact CB-CH2 4.24Å; K384-W461 HydrophobicContact CB-CZ3 3.97Å; K384-W461 HydrophobicContact CD-CD2 4.01Å; K384-W461 HydrophobicContact CD-CE3 4.09Å; K384-W461 HydrophobicContact CD-CH2 4.02Å; K384-W461 HydrophobicContact CD-CZ2 3.94Å; K384-W461 HydrophobicContact CD-CZ3 4.08Å; K384-W461 HydrophobicContact CG-CE3 4.42Å; K384-W461 HydrophobicContact CG-CH2 3.73Å; K384-W461 HydrophobicContact CG-CZ2 4.05Å; K384-W461 HydrophobicContact CG-CZ3 3.93Å; K384-W461 PolarHBondContact NZ-O 3.06Å; K384-A466 HydrophobicContact CB-CB 4.46Å; K384-A466 HydrophobicContact CD-CB 3.8Å; K384-A466 PolarHBondContact NZ-O 2.76Å; K384-V467 CarbonylContact C-O 3.5Å; K384-V467 VanDerWaalsContact CA-O 3.26Å; K384-V467 WeakPolarHBondContact CA-O 3.25Å; K384-V467 WeakPolarHBondContact CB-O 3.13Å; K384-H468 WeakPolarHBondContact CE-CE1 3.5Å; K384-H468 WeakPolarHBondContact CE-NE2 3.48Å
385	L	98.6	Very high	92.9	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.005	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	131.6	166.6	-59.8	-175.4	0	0	0	109.1	I352 C354 L366 I387 A466 V467 L469 L472 L480	I352-L385 HydrophobicContact CB-CD2 4.11Å; I352-L385 CarbonylContact O-C 3.56Å; I352-L385 VanDerWaalsContact O-CA 3.25Å; I352-L385 WeakPolarHBondContact O-CA 3.4Å; C354-L385 HydrophobicContact CB-CB 4.17Å; C354-L385 HydrophobicContact CB-CD1 4.17Å; L366-L385 HydrophobicContact CD1-CD2 3.8Å; L385-I387 HydrophobicContact CB-CG1 4.36Å; L385-A466 CarbonylContact O-C 3.26Å; L385-A466 WeakPolarHBondContact O-CA 3.2Å; L385-V467 PolarHBondContact N-O 3.19Å; L385-V467 PolarHBondContact O-N 2.99Å; L385-L469 HydrophobicContact CD1-CD2 3.97Å; L385-L469 HydrophobicContact CD2-CD2 3.91Å; L385-L469 HydrophobicContact CG-CD2 3.74Å; L385-L472 HydrophobicContact CD1-CD1 3.91Å; L385-L472 HydrophobicContact CD1-CD2 3.63Å; L385-L472 HydrophobicContact CD1-CG 4.38Å; L385-L480 HydrophobicContact CD1-CB 4.16Å; L385-L480 HydrophobicContact CD1-CD2 4.25Å; L385-L480 HydrophobicContact CD2-CD2 4.16Å
386	Y	98.1	Very high	92.7	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	110.6	171.8	-164.1	-79.7	0	0	0	109.1	Y83 K216 L351 I352 C354 V388 N402 D460 F465 A466	Y83-Y386 PolarHBondContact OH-OH 2.84Å; K216-Y386 HydrophobicContact CD-CE1 4.16Å; L351-Y386 HydrophobicContact CD1-CD2 4.01Å; L351-Y386 HydrophobicContact CD1-CG 4.49Å; L351-Y386 HydrophobicContact CD2-CD2 3.75Å; L351-Y386 HydrophobicContact CD2-CE2 4.49Å; L351-Y386 HydrophobicContact CD2-CG 4.49Å; L351-Y386 HydrophobicContact CG-CD2 4.05Å; L351-Y386 HydrophobicContact CG-CG 4.43Å; I352-Y386 PolarHBondContact O-N 3.35Å; C354-Y386 PolarHBondContact N-O 2.93Å; Y386-V388 HydrophobicContact CD1-CG2 4.06Å; Y386-V388 HydrophobicContact CE1-CG2 3.77Å; Y386-N402 HydrophobicContact CD1-CB 3.6Å; Y386-N402 HydrophobicContact CE1-CB 4.32Å; Y386-N402 HydrophobicContact CG-CB 4.12Å; Y386-D460 HydrophobicContact CD2-CB 4.35Å; Y386-D460 HydrophobicContact CE2-CB 3.83Å; Y386-F465 CarbonylContact C-O 3.52Å; Y386-F465 WeakPolarHBondContact CA-O 3.34Å; Y386-F465 HydrophobicContact CD2-CB 4.36Å; Y386-F465 HydrophobicContact CE1-CB 3.97Å; Y386-F465 HydrophobicContact CE2-CB 3.82Å; Y386-F465 VanDerWaalsContact OH-CD2 3.31Å; Y386-F465 WeakPolarHBondContact OH-CD2 3.23Å; Y386-A466 HydrophobicContact CD2-CB 4.41Å
387	I	97.4	Very high	92.4	Very high	8 Å²	8	47 Å²	47	4%	0.041	26%	0.264	C	S	.	.			trans	-110.5	115.1	-175.4	-56	173.2	0	0	0	107.8	C354 L385 P389 F465 V467 L472 N475 D477 C478	C354-I387 HydrophobicContact CB-CG1 4.16Å; L385-I387 HydrophobicContact CB-CG1 4.36Å; I387-P389 WeakPolarHBondContact O-CD 3.43Å; I387-F465 PolarHBondContact N-O 2.86Å; I387-V467 HydrophobicContact CD1-CB 4.34Å; I387-V467 HydrophobicContact CD1-CG2 4.05Å; I387-L472 HydrophobicContact CD1-CD1 3.77Å; I387-N475 WeakPolarHBondContact CD1-ND2 3.26Å; I387-D477 HydrophobicContact CG2-CB 4.02Å; I387-C478 HydrophobicContact CD1-CB 3.68Å; I387-C478 HydrophobicContact CG1-CB 4.01Å; I387-C478 HydrophobicContact CG2-CB 4.4Å
388	V	95.9	Very high	92	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.268	C	S	.	.			trans	-86.6	115.5	172	-177.6	0	0	0	0	107.1	P78 L81 Y386 V390 R400	P78-V388 HydrophobicContact CB-CG1 4.03Å; P78-V388 HydrophobicContact CG-CG1 3.99Å; P78-V388 HydrophobicContact CG-CG2 4.47Å; L81-V388 HydrophobicContact CD1-CG1 4.27Å; Y386-V388 HydrophobicContact CD1-CG2 4.06Å; Y386-V388 HydrophobicContact CE1-CG2 3.77Å; V388-V390 PolarHBondContact O-N 2.86Å; V388-R400 HydrophobicContact CB-CB 4.14Å; V388-R400 WeakPolarHBondContact CB-O 3.38Å; V388-R400 HydrophobicContact CG1-CB 4.03Å; V388-R400 VanDerWaalsContact CG1-CZ 3.47Å
389	P	93.3	Very high	91.8	Very high	52 Å²	52	42.7 Å²	42.7	34%	0.338	24%	0.241	S	C	.	.			trans	-60.1	137.1	-178.8	-23.1	33.9	0	0	0	110.6	I387 R400 F465	I387-P389 WeakPolarHBondContact O-CD 3.43Å; P389-R400 PolarHBondContact O-NE 3.34Å; P389-R400 PolarHBondContact O-NH2 2.92Å; P389-F465 HydrophobicContact CG-CD1 4.01Å; P389-F465 HydrophobicContact CG-CE1 4Å
390	V	91.1	Very high	91.7	Very high	11 Å²	11	42.7 Å²	42.7	7%	0.067	24%	0.24	C	C	.	.			trans	-74	-39.6	-179	174.4	0	0	0	0	111.3	R356 V388 N392 Q393 R400 D477	R356-V390 HydrophobicContact CG-CG2 4.41Å; V388-V390 PolarHBondContact O-N 2.86Å; V390-N392 PolarHBondContact O-N 2.79Å; V390-Q393 WeakPolarHBondContact O-CB 3.44Å; V390-Q393 PolarHBondContact O-N 2.7Å; V390-R400 HydrophobicContact CB-CG 4.44Å; V390-R400 HydrophobicContact CG2-CB 4.08Å; V390-R400 HydrophobicContact CG2-CG 4.08Å; V390-D477 HydrophobicContact CG2-CB 4.19Å; V390-D477 WeakPolarHBondContact CG2-OD1 3.33Å; V390-D477 PolarHBondContact N-OD2 2.8Å
391	G	84.2	Confident	91.5	Very high	56 Å²	56	42.1 Å²	42.1	58%	0.577	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	-134.2	-178.6	0	0	0	0	0	111.7	Q393	G391-Q393 PolarHBondContact O-N 3.33Å
392	N	80.3	Confident	91.5	Very high	159 Å²	159	41.9 Å²	41.9	85%	0.85	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	9.9	179.7	-63.6	-6.9	0	0	0	113.9	V390	V390-N392 PolarHBondContact O-N 2.79Å
393	Q	80.4	Confident	91.5	Very high	40 Å²	40	39.3 Å²	39.3	19%	0.187	22%	0.222	C	C	.	.			trans	-99.4	26.3	-178.2	-56.4	-65.3	-46.7	0	0	112.1	Q214 V390 G391 D395 I396	Q214-Q393 VanDerWaalsContact NE2-OE1 3.14Å; V390-Q393 WeakPolarHBondContact O-CB 3.44Å; V390-Q393 PolarHBondContact O-N 2.7Å; G391-Q393 PolarHBondContact O-N 3.33Å; Q393-D395 PolarHBondContact O-N 2.86Å; Q393-I396 VanDerWaalsContact OE1-CD1 3.32Å
394	S	76.6	Confident	91.5	Very high	66 Å²	66	38.9 Å²	38.9	46%	0.462	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-23.9	-174.8	51.9	0	0	0	0	114.8	I396	S394-I396 VanDerWaalsContact C-N 3.28Å; S394-I396 PolarHBondContact O-N 3.41Å
395	D	84.8	Confident	91.4	Very high	135 Å²	135	38.1 Å²	38.1	72%	0.722	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-0.6	-168.7	-55.7	-13.5	0	0	0	112.4	Q393	Q393-D395 PolarHBondContact O-N 2.86Å
396	I	89.8	Confident	91.4	Very high	10 Å²	10	38.1 Å²	38.1	5%	0.051	22%	0.216	C	C	.	.	S	Bend	trans	-107	106.7	-179.6	-48.8	166.1	0	0	0	108.9	V124 W209 R210 Q214 Q393 S394 T399	V124-I396 HydrophobicContact CG1-CG1 4.2Å; W209-I396 HydrophobicContact CH2-CB 4.48Å; W209-I396 HydrophobicContact CH2-CD1 3.91Å; W209-I396 HydrophobicContact CH2-CG1 4.24Å; W209-I396 HydrophobicContact CH2-CG2 3.43Å; W209-I396 VanDerWaalsContact CH2-CG2 3.43Å; W209-I396 HydrophobicContact CZ2-CG2 3.73Å; W209-I396 HydrophobicContact CZ3-CD1 4.49Å; W209-I396 HydrophobicContact CZ3-CG2 4.42Å; R210-I396 HydrophobicContact CG-CG2 3.99Å; Q214-I396 HydrophobicContact CG-CD1 4.21Å; Q393-I396 VanDerWaalsContact OE1-CD1 3.32Å; S394-I396 VanDerWaalsContact C-N 3.28Å; S394-I396 PolarHBondContact O-N 3.41Å; I396-T399 HydrophobicContact CB-CG2 3.94Å; I396-T399 HydrophobicContact CG2-CG2 3.4Å; I396-T399 PolarHBondContact O-OG1 3.43Å
397	P	89.6	Confident	91.5	Very high	52 Å²	52	38.1 Å²	38.1	34%	0.338	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	155.4	-173.2	30.1	-36.5	0	0	0	112.4	R210 T399	R210-P397 PolarHBondContact NH1-O 3.31Å; P397-T399 VanDerWaalsContact C-N 3.26Å; P397-T399 PolarHBondContact O-N 2.75Å
398	Y	88.5	Confident	91.5	Very high	146 Å²	146	37.8 Å²	37.8	57%	0.573	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.1	40.4	178	-46.8	-75.8	0	0	0	113.7
399	T	91.5	Very high	91.6	Very high	16 Å²	16	37.8 Å²	37.8	10%	0.098	22%	0.215	C	C	.	.			trans	-117	-175	176.3	59.8	0	0	0	0	110.7	R210 Q214 I396 P397 V401	R210-T399 HydrophobicContact CB-CG2 4.01Å; R210-T399 VanDerWaalsContact CD-CG2 3.46Å; R210-T399 HydrophobicContact CG-CG2 3.69Å; Q214-T399 HydrophobicContact CB-CG2 3.55Å; Q214-T399 HydrophobicContact CG-CG2 4.15Å; I396-T399 HydrophobicContact CB-CG2 3.94Å; I396-T399 HydrophobicContact CG2-CG2 3.4Å; I396-T399 PolarHBondContact O-OG1 3.43Å; P397-T399 VanDerWaalsContact C-N 3.26Å; P397-T399 PolarHBondContact O-N 2.75Å; T399-V401 VanDerWaalsContact C-N 3.3Å; T399-V401 PolarHBondContact O-N 3.12Å
400	R	94.1	Very high	91.7	Very high	11 Å²	11	36.9 Å²	36.9	4%	0.042	21%	0.207	C	C	.	.	S	Bend	trans	57.9	46.2	173.1	-43.7	-55.3	-63	178	1.5	111.5	P78 L79 Q214 V388 P389 V390	P78-R400 VanDerWaalsContact CB-NH1 3.3Å; L79-R400 PolarHBondContact O-NH1 2.82Å; L79-R400 PolarHBondContact O-NH2 3.3Å; Q214-R400 PolarHBondContact O-N 3.23Å; Q214-R400 VanDerWaalsContact O-N 3.14Å; V388-R400 HydrophobicContact CB-CB 4.14Å; V388-R400 WeakPolarHBondContact CB-O 3.38Å; V388-R400 HydrophobicContact CG1-CB 4.03Å; V388-R400 VanDerWaalsContact CG1-CZ 3.47Å; P389-R400 PolarHBondContact O-NE 3.34Å; P389-R400 PolarHBondContact O-NH2 2.92Å; V390-R400 HydrophobicContact CB-CG 4.44Å; V390-R400 HydrophobicContact CG2-CB 4.08Å; V390-R400 HydrophobicContact CG2-CG 4.08Å
401	V	95	Very high	91.8	Very high	16 Å²	16	40.1 Å²	40.1	10%	0.097	22%	0.22	C	C	.	.			trans	-128.4	152.6	175.3	-67.6	0	0	0	0	110	V215 K216 T399 H403	V215-V401 HydrophobicContact CG1-CG2 3.96Å; V215-V401 HydrophobicContact CG2-CG2 4.23Å; K216-V401 PolarHBondContact N-O 2.93Å; T399-V401 VanDerWaalsContact C-N 3.3Å; T399-V401 PolarHBondContact O-N 3.12Å; V401-H403 HydrophobicContact CG2-CB 4.46Å; V401-H403 PolarHBondContact O-N 3.21Å
402	N	97.5	Very high	92.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-88.5	97.2	166.3	-177.1	-8.6	0	0	0	108.5	S353 Y386 N404	S353-N402 WeakPolarHBondContact CB-O 3.42Å; S353-N402 PolarHBondContact OG-N 2.93Å; S353-N402 PolarHBondContact OG-O 2.98Å; Y386-N402 HydrophobicContact CD1-CB 3.6Å; Y386-N402 HydrophobicContact CE1-CB 4.32Å; Y386-N402 HydrophobicContact CG-CB 4.12Å; N402-N404 PolarHBondContact O-N 3.49Å; N402-N404 WeakPolarHBondContact OD1-CB 3.29Å; N402-N404 PolarHBondContact OD1-N 3.38Å; N402-N404 PolarHBondContact OD1-ND2 3.1Å
403	H	98	Very high	93.2	Very high	19 Å²	19	30.2 Å²	30.2	9%	0.088	16%	0.155	C	C	.	.			trans	-88.6	17.3	-174.3	-168.3	-111.6	0	0	0	112.7	S204 V215 K216 E217 M315 V401 K405	S204-H403 WeakPolarHBondContact CB-O 3.42Å; S204-H403 PolarHBondContact O-CE1 2.94Å; S204-H403 PolarHBondContact O-ND1 2.97Å; S204-H403 PolarHBondContact OG-O 3.29Å; V215-H403 HydrophobicContact CG1-CB 3.39Å; K216-H403 PolarHBondContact O-N 2.99Å; E217-H403 VanDerWaalsContact CD-ND1 3.35Å; E217-H403 IonicContact OE1-CG 3.75Å; E217-H403 IonicContact OE1-ND1 3.07Å; E217-H403 PolarHBondContact OE1-ND1 2.89Å; E217-H403 WeakPolarHBondContact OE2-CB 3.42Å; E217-H403 IonicContact OE2-CG 3.67Å; E217-H403 IonicContact OE2-ND1 2.91Å; E217-H403 PolarHBondContact OE2-ND1 3.42Å; M315-H403 PolarHBondContact SD-CD2 2.87Å; V401-H403 HydrophobicContact CG2-CB 4.46Å; V401-H403 PolarHBondContact O-N 3.21Å; H403-K405 PolarHBondContact CD2-NZ 3.27Å; H403-K405 PolarHBondContact NE2-NZ 3.08Å; H403-K405 WeakPolarHBondContact O-CD 3.29Å; H403-K405 WeakPolarHBondContact O-CE 3.39Å; H403-K405 PolarHBondContact O-NZ 3.23Å
404	N	97.3	Very high	94.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.146	C	C	.	.			trans	-63.3	155.2	179.4	-68.9	-10.7	0	0	0	113.5	K216 L218 A313 V314 M315 N402 Y406	K216-N404 PolarHBondContact O-OD1 3.2Å; L218-N404 VanDerWaalsContact CB-OD1 3.25Å; L218-N404 WeakPolarHBondContact CB-OD1 3.21Å; L218-N404 PolarHBondContact N-OD1 3Å; L218-N404 VanDerWaalsContact N-OD1 3.14Å; A313-N404 HydrophobicContact CB-CB 4.44Å; A313-N404 CarbonylContact O-C 2.98Å; V314-N404 CarbonylContact C-O 3.49Å; V314-N404 VanDerWaalsContact CA-O 3.28Å; V314-N404 WeakPolarHBondContact CA-O 3.5Å; M315-N404 PolarHBondContact N-O 3.07Å; M315-N404 VanDerWaalsContact N-O 3.08Å; N402-N404 PolarHBondContact O-N 3.49Å; N402-N404 WeakPolarHBondContact OD1-CB 3.29Å; N402-N404 PolarHBondContact OD1-N 3.38Å; N402-N404 PolarHBondContact OD1-ND2 3.1Å; N404-Y406 HydrophobicContact CB-CD1 3.92Å; N404-Y406 HydrophobicContact CB-CE1 4.08Å
405	K	98.1	Very high	95.1	Very high	3 Å²	3	25.3 Å²	25.3	1%	0.013	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	76.6	167.7	-56.3	94.4	175.4	74.8	0	109.8	A313 H403 G416 T417 S418 N419	A313-K405 WeakPolarHBondContact O-CA 3.31Å; H403-K405 PolarHBondContact CD2-NZ 3.27Å; H403-K405 PolarHBondContact NE2-NZ 3.08Å; H403-K405 WeakPolarHBondContact O-CD 3.29Å; H403-K405 WeakPolarHBondContact O-CE 3.39Å; H403-K405 PolarHBondContact O-NZ 3.23Å; K405-G416 PolarHBondContact O-N 2.95Å; K405-T417 WeakPolarHBondContact CE-O 3.34Å; K405-S418 WeakPolarHBondContact CG-O 3.25Å; K405-N419 WeakPolarHBondContact CE-OD1 3.27Å; K405-N419 PolarHBondContact NZ-OD1 3.42Å
406	Y	98.6	Very high	95.8	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	160.4	179.7	76.7	-100.2	0	0	0	112.4	L218 A313 N404 Y414 L453 F457	L218-Y406 HydrophobicContact CD1-CD1 3.84Å; L218-Y406 HydrophobicContact CD1-CE1 3.71Å; L218-Y406 HydrophobicContact CD2-CD1 3.93Å; L218-Y406 HydrophobicContact CD2-CG 4.32Å; L218-Y406 HydrophobicContact CG-CD1 4.33Å; A313-Y406 HydrophobicContact CB-CD1 3.92Å; A313-Y406 HydrophobicContact CB-CD2 4.48Å; A313-Y406 HydrophobicContact CB-CE1 3.41Å; A313-Y406 VanDerWaalsContact CB-CE1 3.41Å; A313-Y406 HydrophobicContact CB-CE2 4.03Å; A313-Y406 HydrophobicContact CB-CG 4.42Å; A313-Y406 VanDerWaalsContact CB-CZ 3.47Å; A313-Y406 PolarHBondContact N-O 3.16Å; A313-Y406 PolarHBondContact O-N 3.4Å; N404-Y406 HydrophobicContact CB-CD1 3.92Å; N404-Y406 HydrophobicContact CB-CE1 4.08Å; Y406-Y414 CarbonylContact C-O 3.58Å; Y406-Y414 WeakPolarHBondContact CA-O 3.3Å; Y406-Y414 WeakPolarHBondContact CB-O 3.06Å; Y406-L453 HydrophobicContact CD1-CD1 4.17Å; Y406-L453 HydrophobicContact CD2-CD1 3.55Å; Y406-L453 HydrophobicContact CD2-CD2 3.88Å; Y406-L453 HydrophobicContact CD2-CG 3.74Å; Y406-L453 HydrophobicContact CE1-CD1 4.37Å; Y406-L453 HydrophobicContact CE2-CD1 3.8Å; Y406-L453 HydrophobicContact CE2-CG 3.98Å; Y406-L453 HydrophobicContact CG-CD1 3.76Å; Y406-L453 HydrophobicContact CG-CD2 4.42Å; Y406-L453 HydrophobicContact CG-CG 4.4Å; Y406-F457 HydrophobicContact CE2-CB 4.03Å; Y406-F457 AromaticContact CE2-CD2 3.87Å; Y406-F457 HydrophobicContact CE2-CD2 3.87Å; Y406-F457 HydrophobicContact CE2-CG 4.43Å; Y406-F457 AromaticContact CZ-CD2 3.99Å; Y406-F457 WeakPolarHBondContact OH-CA 3.11Å; Y406-F457 WeakPolarHBondContact OH-CB 3.41Å; Y406-F457 WeakPolarHBondContact OH-CD2 3.37Å; Y406-F457 PolarHBondContact OH-N 2.89Å
407	M	98.6	Very high	96.2	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.005	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	141.2	172.5	172.9	179.1	63.7	0	0	109.5	I303 V310 D311 V312 T409 Y414 W420	I303-M407 HydrophobicContact CD1-SD 4.28Å; I303-M407 HydrophobicContact CG1-CE 4.14Å; I303-M407 HydrophobicContact CG1-SD 3.61Å; V310-M407 HydrophobicContact CG1-CG 4.04Å; V310-M407 HydrophobicContact CG1-SD 3.64Å; D311-M407 CarbonylContact O-C 3.52Å; D311-M407 WeakPolarHBondContact O-CA 3.34Å; D311-M407 WeakPolarHBondContact O-CG 3.39Å; V312-M407 HydrophobicContact CG2-CB 4.33Å; V312-M407 HydrophobicContact CG2-CG 4Å; V312-M407 HydrophobicContact CG2-SD 4.17Å; M407-T409 HydrophobicContact CE-CG2 4.48Å; M407-T409 HydrophobicContact CG-CG2 4.18Å; M407-T409 HydrophobicContact SD-CG2 4.23Å; M407-Y414 HydrophobicContact CB-CD1 4.5Å; M407-Y414 PolarHBondContact N-O 2.86Å; M407-Y414 PolarHBondContact O-N 3.03Å; M407-W420 HydrophobicContact CB-CZ2 4.33Å; M407-W420 HydrophobicContact SD-CH2 3.97Å; M407-W420 HydrophobicContact SD-CZ2 4.39Å
408	V	98.1	Very high	96.5	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	127.9	171	61.7	0	0	0	0	109.3	F309 D311 V412 Y450 L453 K454 F457	F309-V408 HydrophobicContact CE2-CG1 4.4Å; F309-V408 HydrophobicContact CE2-CG2 4.41Å; F309-V408 VanDerWaalsContact CE2-O 3.3Å; F309-V408 WeakPolarHBondContact CE2-O 3.31Å; D311-V408 HydrophobicContact CB-CG1 3.71Å; D311-V408 PolarHBondContact N-O 2.82Å; D311-V408 PolarHBondContact O-N 3.44Å; V408-V412 WeakPolarHBondContact CA-O 3.26Å; V408-Y450 HydrophobicContact CG2-CD2 4.07Å; V408-Y450 HydrophobicContact CG2-CE2 3.76Å; V408-L453 HydrophobicContact CB-CD2 4.23Å; V408-L453 HydrophobicContact CB-CG 4.43Å; V408-K454 HydrophobicContact CG1-CD 3.99Å; V408-K454 HydrophobicContact CG2-CB 4.23Å; V408-K454 HydrophobicContact CG2-CD 4.38Å; V408-F457 HydrophobicContact CG1-CB 4.4Å
409	T	98	Very high	97	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	-174.2	174	75	0	0	0	0	109.4	A306 F309 V310 M407 K411 V412 Y450	A306-T409 HydrophobicContact CB-CG2 4.08Å; F309-T409 WeakPolarHBondContact CE2-O 3.39Å; F309-T409 WeakPolarHBondContact CZ-O 3.25Å; F309-T409 VanDerWaalsContact O-CA 3.25Å; F309-T409 WeakPolarHBondContact O-CA 3.36Å; F309-T409 WeakPolarHBondContact O-CB 3.4Å; V310-T409 HydrophobicContact CB-CG2 4.43Å; V310-T409 HydrophobicContact CG1-CG2 4.43Å; V310-T409 HydrophobicContact CG2-CG2 3.89Å; M407-T409 HydrophobicContact CE-CG2 4.48Å; M407-T409 HydrophobicContact CG-CG2 4.18Å; M407-T409 HydrophobicContact SD-CG2 4.23Å; T409-K411 PolarHBondContact O-N 2.95Å; T409-K411 PolarHBondContact OG1-N 3.46Å; T409-K411 VanDerWaalsContact OG1-N 3.12Å; T409-V412 PolarHBondContact N-O 3.13Å; T409-V412 PolarHBondContact OG1-N 3.28Å; T409-Y450 WeakPolarHBondContact O-CE2 3.28Å; T409-Y450 PolarHBondContact O-OH 2.89Å
410	D	94.7	Very high	97.3	Very high	34 Å²	34	8.3 Å²	8.3	18%	0.182	4%	0.04	C	C	.	.	S	Bend	trans	-72.4	-5.8	171	55.1	-66.1	0	0	0	114.3	A306 D307 R308 F309 Y450	A306-D410 WeakPolarHBondContact CA-OD1 3.14Å; D307-D410 WeakPolarHBondContact CB-OD2 3.39Å; D307-D410 PolarHBondContact N-OD1 3.27Å; D307-D410 PolarHBondContact N-OD2 3.28Å; R308-D410 HydrophobicContact CB-CB 4Å; R308-D410 HydrophobicContact CG-CB 4.35Å; R308-D410 PolarHBondContact N-OD1 3.49Å; F309-D410 HydrophobicContact CD1-CB 4.03Å; F309-D410 HydrophobicContact CE1-CB 3.73Å; F309-D410 HydrophobicContact CZ-CB 4.36Å; F309-D410 PolarHBondContact N-OD1 3.21Å; D410-Y450 WeakPolarHBondContact CA-OH 3.28Å
411	K	94.4	Very high	97.5	Very high	78 Å²	78	7.8 Å²	7.8	34%	0.339	4%	0.038	S	C	.	.	S	Bend	trans	-126.9	-25.6	-176.4	-61.6	-174.1	-173.8	163.4	0	114.6	Q305 D307 T409 S436	Q305-K411 HydrophobicContact CB-CD 4.5Å; Q305-K411 VanDerWaalsContact O-CD 3.24Å; Q305-K411 WeakPolarHBondContact O-CD 3.34Å; Q305-K411 VanDerWaalsContact O-CE 3.23Å; Q305-K411 WeakPolarHBondContact O-CE 3.33Å; Q305-K411 PolarHBondContact O-NZ 3.36Å; D307-K411 VanDerWaalsContact CG-CE 3.49Å; D307-K411 IonicContact OD1-NZ 2.76Å; D307-K411 PolarHBondContact OD1-NZ 2.97Å; D307-K411 WeakPolarHBondContact OD2-CE 3.2Å; D307-K411 IonicContact OD2-NZ 3.6Å; D307-K411 PolarHBondContact OD2-NZ 2.81Å; T409-K411 PolarHBondContact O-N 2.95Å; T409-K411 PolarHBondContact OG1-N 3.46Å; T409-K411 VanDerWaalsContact OG1-N 3.12Å; K411-S436 WeakPolarHBondContact O-CB 2.97Å
412	V	96.4	Very high	97.7	Very high	7 Å²	7	7 Å²	7	4%	0.042	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	138.2	-167.8	175.5	0	0	0	0	111	V408 T409 V434 I435	V408-V412 WeakPolarHBondContact CA-O 3.26Å; T409-V412 PolarHBondContact N-O 3.13Å; T409-V412 PolarHBondContact OG1-N 3.28Å; V412-V434 HydrophobicContact CG1-CG1 3.5Å; V412-I435 WeakPolarHBondContact CA-O 3.46Å
413	A	97.3	Very high	97.6	Very high	1 Å²	1	7.3 Å²	7.3	1%	0.008	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	124.9	159.3	0	0	0	0	0	109.1	I435 Y450 L453	A413-I435 HydrophobicContact CB-CB 4.48Å; A413-I435 PolarHBondContact N-O 3.08Å; A413-I435 PolarHBondContact O-N 2.72Å; A413-Y450 HydrophobicContact CB-CD2 4.27Å; A413-L453 HydrophobicContact CB-CD2 3.78Å
414	Y	98.6	Very high	97.6	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	127.5	177.6	170	-79.5	0	0	0	108.7	D295 A298 I299 Y406 M407 S432 V434	D295-Y414 VanDerWaalsContact CG-OH 3.26Å; D295-Y414 WeakPolarHBondContact OD1-CE2 3.36Å; D295-Y414 PolarHBondContact OD1-OH 2.96Å; D295-Y414 PolarHBondContact OD2-OH 2.65Å; A298-Y414 HydrophobicContact CB-CE2 4.29Å; I299-Y414 HydrophobicContact CD1-CE1 4.36Å; I299-Y414 HydrophobicContact CD1-CE2 4.33Å; I299-Y414 HydrophobicContact CG1-CD2 4.24Å; I299-Y414 HydrophobicContact CG1-CE1 4.19Å; I299-Y414 HydrophobicContact CG1-CE2 3.68Å; Y406-Y414 CarbonylContact C-O 3.58Å; Y406-Y414 WeakPolarHBondContact CA-O 3.3Å; Y406-Y414 WeakPolarHBondContact CB-O 3.06Å; M407-Y414 HydrophobicContact CB-CD1 4.5Å; M407-Y414 PolarHBondContact N-O 2.86Å; M407-Y414 PolarHBondContact O-N 3.03Å; Y414-S432 WeakPolarHBondContact CE2-OG 3.42Å; Y414-S432 WeakPolarHBondContact OH-CB 3.42Å; Y414-V434 HydrophobicContact CD2-CG2 3.96Å
415	V	98.8	Very high	97.7	Very high	2 Å²	2	7.5 Å²	7.5	1%	0.012	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	122.9	172.7	179.1	0	0	0	0	108.6	L218 V220 S432 L433 L453	L218-V415 HydrophobicContact CD2-CG1 3.96Å; L218-V415 HydrophobicContact CD2-CG2 4.02Å; V220-V415 HydrophobicContact CG2-CB 4.13Å; V220-V415 HydrophobicContact CG2-CG1 4.25Å; V220-V415 HydrophobicContact CG2-CG2 3.83Å; V415-S432 CarbonylContact O-C 3.05Å; V415-S432 VanDerWaalsContact O-CA 3.24Å; V415-S432 WeakPolarHBondContact O-CA 3Å; V415-S432 WeakPolarHBondContact O-CB 3.46Å; V415-L433 PolarHBondContact N-O 2.98Å; V415-L433 PolarHBondContact O-N 3.33Å; V415-L453 HydrophobicContact CG2-CD1 4.48Å; V415-L453 HydrophobicContact CG2-CD2 4.08Å
416	G	98.1	Very high	97.7	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	-176	-174.1	0	0	0	0	0	114.3	K405 V431	K405-G416 PolarHBondContact O-N 2.95Å; G416-V431 WeakPolarHBondContact CA-O 3.32Å
417	T	98.3	Very high	97.6	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.063	C	C	.	.	S	Bend	trans	-108.8	-10.2	178.9	60	0	0	0	0	113	H189 K191 G203 K405 G430 V431	H189-T417 PolarHBondContact CE1-O 2.84Å; H189-T417 PolarHBondContact ND1-O 3.16Å; H189-T417 WeakPolarHBondContact O-CB 3.45Å; K191-T417 HydrophobicContact CD-CG2 4.01Å; G203-T417 WeakPolarHBondContact O-CG2 3.35Å; K405-T417 WeakPolarHBondContact CE-O 3.34Å; T417-G430 VanDerWaalsContact OG1-CA 3.23Å; T417-G430 WeakPolarHBondContact OG1-CA 3.35Å; T417-V431 HydrophobicContact CG2-CG2 3.89Å; T417-V431 WeakPolarHBondContact CG2-O 3.49Å; T417-V431 PolarHBondContact N-O 3.07Å; T417-V431 VanDerWaalsContact N-O 3.1Å; T417-V431 PolarHBondContact OG1-N 2.03Å; T417-V431 PolarHBondContact OG1-O 3.49Å
418	S	97.6	Very high	97.6	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.064	C	C	.	.			trans	-101.3	126.5	-162.7	-61.1	0	0	0	0	112.2	D295 K405	D295-S418 PolarHBondContact OD2-OG 3.4Å; K405-S418 WeakPolarHBondContact CG-O 3.25Å
419	N	97.8	Very high	97.6	Very high	2 Å²	2	12.7 Å²	12.7	1%	0.011	6%	0.064	C	C	.	.			trans	-66.9	158.2	167.2	-71.6	-22.3	0	0	0	109.8	E316 K405 A421 Y424	E316-N419 HydrophobicContact CB-CB 4.08Å; E316-N419 PolarHBondContact OE2-ND2 3.17Å; K405-N419 WeakPolarHBondContact CE-OD1 3.27Å; K405-N419 PolarHBondContact NZ-OD1 3.42Å; N419-A421 VanDerWaalsContact C-N 3.33Å; N419-A421 PolarHBondContact O-N 3.17Å; N419-Y424 HydrophobicContact CB-CD1 4.44Å; N419-Y424 HydrophobicContact CB-CD2 3.9Å; N419-Y424 HydrophobicContact CB-CE1 4.2Å; N419-Y424 HydrophobicContact CB-CE2 3.64Å; N419-Y424 HydrophobicContact CB-CG 4.29Å; N419-Y424 PolarHBondContact ND2-OH 3.23Å; N419-Y424 VanDerWaalsContact O-CB 3.3Å; N419-Y424 WeakPolarHBondContact O-CB 3.32Å
420	W	98.3	Very high	97.6	Very high	1 Å²	1	12.7 Å²	12.7	0%	0.004	6%	0.064	C	C	.	.	B	Isolated β-bridge	trans	-89.4	74.7	-173.5	-75.6	18.9	0	0	0	110.8	I299 I303 V312 V314 E316 Y317 F318 I333 I337 M407	I299-W420 HydrophobicContact CD1-CZ2 4.42Å; I299-W420 HydrophobicContact CG1-CZ2 4.46Å; I299-W420 HydrophobicContact CG2-CH2 4.06Å; I299-W420 HydrophobicContact CG2-CZ2 3.9Å; I303-W420 HydrophobicContact CD1-CH2 4.36Å; V312-W420 HydrophobicContact CB-CH2 4.09Å; V312-W420 HydrophobicContact CB-CZ3 4.25Å; V312-W420 HydrophobicContact CG1-CD2 4.26Å; V312-W420 HydrophobicContact CG1-CE3 3.92Å; V312-W420 HydrophobicContact CG1-CH2 3.45Å; V312-W420 VanDerWaalsContact CG1-CH2 3.45Å; V312-W420 HydrophobicContact CG1-CZ2 3.76Å; V312-W420 HydrophobicContact CG1-CZ3 3.53Å; V312-W420 HydrophobicContact CG2-CH2 3.42Å; V312-W420 VanDerWaalsContact CG2-CH2 3.42Å; V312-W420 HydrophobicContact CG2-CZ2 4.32Å; V312-W420 HydrophobicContact CG2-CZ3 3.74Å; V314-W420 HydrophobicContact CG1-CD2 3.91Å; V314-W420 HydrophobicContact CG1-CG 3.85Å; V314-W420 HydrophobicContact CG2-CG 4.49Å; E316-W420 PolarHBondContact O-N 2.99Å; Y317-W420 WeakPolarHBondContact CA-O 3.4Å; Y317-W420 HydrophobicContact CD2-CB 3.97Å; Y317-W420 HydrophobicContact CD2-CE3 4.09Å; Y317-W420 HydrophobicContact CE2-CE3 4.23Å; F318-W420 PolarHBondContact N-O 3.27Å; I333-W420 HydrophobicContact CD1-CB 4.3Å; I333-W420 HydrophobicContact CD1-CD2 4.16Å; I333-W420 HydrophobicContact CD1-CE3 4.4Å; I333-W420 HydrophobicContact CD1-CG 4.14Å; I333-W420 HydrophobicContact CG2-CD2 4.23Å; I333-W420 HydrophobicContact CG2-CE3 3.44Å; I333-W420 VanDerWaalsContact CG2-CE3 3.44Å; I333-W420 HydrophobicContact CG2-CH2 4.4Å; I333-W420 HydrophobicContact CG2-CZ3 3.52Å; I337-W420 HydrophobicContact CD1-CZ3 4.29Å; M407-W420 HydrophobicContact CB-CZ2 4.33Å; M407-W420 HydrophobicContact SD-CH2 3.97Å; M407-W420 HydrophobicContact SD-CZ2 4.39Å
421	A	98.1	Very high	97.7	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.055	C	C	.	.	S	Bend	trans	-148.2	158.4	173.3	0	0	0	0	0	111.2	F318 R322 N419 D423 Y424 F425	F318-A421 HydrophobicContact CB-CB 3.88Å; F318-A421 WeakPolarHBondContact O-CA 3.34Å; R322-A421 HydrophobicContact CG-CB 3.5Å; R322-A421 VanDerWaalsContact CG-CB 3.5Å; N419-A421 VanDerWaalsContact C-N 3.33Å; N419-A421 PolarHBondContact O-N 3.17Å; A421-D423 PolarHBondContact O-N 2.96Å; A421-Y424 HydrophobicContact CB-CD2 4.21Å; A421-Y424 PolarHBondContact O-N 3.15Å; A421-F425 VanDerWaalsContact O-CD2 3.25Å; A421-F425 WeakPolarHBondContact O-CD2 3.34Å
422	A	98.2	Very high	97.9	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-53.9	-48.2	-167.1	0	0	0	0	0	113.9	T320 T321 W330 Y424 F425 L426	T320-A422 WeakPolarHBondContact O-CB 3.41Å; T320-A422 PolarHBondContact O-N 2.87Å; T321-A422 HydrophobicContact CG2-CB 3.79Å; W330-A422 HydrophobicContact CB-CB 3.73Å; W330-A422 HydrophobicContact CD2-CB 3.44Å; W330-A422 VanDerWaalsContact CD2-CB 3.44Å; W330-A422 HydrophobicContact CE3-CB 3.86Å; W330-A422 HydrophobicContact CG-CB 3.38Å; A422-Y424 PolarHBondContact O-N 3.21Å; A422-Y424 VanDerWaalsContact O-N 3.15Å; A422-F425 PolarHBondContact O-N 3.27Å; A422-L426 HydrophobicContact CB-CD1 3.99Å; A422-L426 VanDerWaalsContact O-CG 3.3Å; A422-L426 WeakPolarHBondContact O-CG 3.49Å; A422-L426 PolarHBondContact O-N 2.83Å
423	D	97.3	Very high	98.1	Very high	6 Å²	6	7 Å²	7	3%	0.032	4%	0.037	C	C	.	.	H	α-helix	trans	-60.9	-29.9	-173.8	-48.4	-114.5	0	0	0	112.7	T321 R322 F323 E324 A421 F425 L426 T427 T428	T321-D423 VanDerWaalsContact CA-OD2 3.29Å; T321-D423 WeakPolarHBondContact CA-OD2 3.04Å; R322-D423 PolarHBondContact N-OD2 3.32Å; F323-D423 HydrophobicContact CD2-CB 3.58Å; F323-D423 HydrophobicContact CE2-CB 4.18Å; F323-D423 PolarHBondContact N-OD1 3.19Å; F323-D423 PolarHBondContact N-OD2 3.19Å; E324-D423 PolarHBondContact N-OD1 3.38Å; A421-D423 PolarHBondContact O-N 2.96Å; D423-F425 PolarHBondContact O-N 2.74Å; D423-L426 PolarHBondContact O-N 3.28Å; D423-T427 PolarHBondContact O-N 3.22Å; D423-T427 PolarHBondContact O-OG1 3.04Å; D423-T428 WeakPolarHBondContact O-CB 3.25Å; D423-T428 PolarHBondContact O-N 2.96Å
424	Y	97.9	Very high	98.1	Very high	18 Å²	18	7.1 Å²	7.1	7%	0.071	4%	0.038	C	C	.	.	H	α-helix	trans	-65.6	-21.9	176.6	-74.6	-86.1	0	0	0	113.5	H189 S283 F323 N419 A421 A422 T428	H189-Y424 AromaticContact CE1-CE1 3.89Å; H189-Y424 AromaticContact CG-CE1 3.99Å; H189-Y424 AromaticContact ND1-CE1 3.75Å; S283-Y424 PolarHBondContact OG-O 3.13Å; S283-Y424 VanDerWaalsContact OG-O 3.08Å; F323-Y424 HydrophobicContact CE2-CD2 4.45Å; F323-Y424 AromaticContact CE2-CE2 3.77Å; F323-Y424 HydrophobicContact CE2-CE2 3.77Å; F323-Y424 HydrophobicContact CZ-CE2 4.04Å; N419-Y424 HydrophobicContact CB-CD1 4.44Å; N419-Y424 HydrophobicContact CB-CD2 3.9Å; N419-Y424 HydrophobicContact CB-CE1 4.2Å; N419-Y424 HydrophobicContact CB-CE2 3.64Å; N419-Y424 HydrophobicContact CB-CG 4.29Å; N419-Y424 PolarHBondContact ND2-OH 3.23Å; N419-Y424 VanDerWaalsContact O-CB 3.3Å; N419-Y424 WeakPolarHBondContact O-CB 3.32Å; A421-Y424 HydrophobicContact CB-CD2 4.21Å; A421-Y424 PolarHBondContact O-N 3.15Å; A422-Y424 PolarHBondContact O-N 3.21Å; A422-Y424 VanDerWaalsContact O-N 3.15Å; Y424-T428 HydrophobicContact CD1-CG2 4Å; Y424-T428 HydrophobicContact CE1-CG2 4.44Å
425	F	98.3	Very high	98	Very high	5 Å²	5	7.2 Å²	7.2	2%	0.022	4%	0.038	C	C	.	.	H	α-helix	trans	-108.2	-19.5	179	-54.5	-67.9	0	0	0	113.1	P285 D295 L296 I299 W330 I333 A421 A422 D423	P285-F425 WeakPolarHBondContact CD-O 3.39Å; D295-F425 HydrophobicContact CB-CD1 4.27Å; L296-F425 HydrophobicContact CB-CB 4.12Å; L296-F425 HydrophobicContact CB-CD1 4.11Å; L296-F425 HydrophobicContact CB-CG 4.16Å; L296-F425 HydrophobicContact CD1-CD2 4.38Å; L296-F425 HydrophobicContact CD1-CG 4.32Å; I299-F425 HydrophobicContact CD1-CE1 3.5Å; I299-F425 VanDerWaalsContact CD1-CE1 3.5Å; I299-F425 HydrophobicContact CD1-CZ 3.53Å; W330-F425 AromaticContact CH2-CD2 3.38Å; W330-F425 HydrophobicContact CH2-CD2 3.38Å; W330-F425 AromaticContact CH2-CE2 3.86Å; W330-F425 HydrophobicContact CH2-CE2 3.86Å; W330-F425 HydrophobicContact CH2-CG 4.26Å; W330-F425 HydrophobicContact CZ2-CB 4.39Å; W330-F425 AromaticContact CZ2-CD2 3.96Å; W330-F425 HydrophobicContact CZ2-CD2 3.96Å; W330-F425 HydrophobicContact CZ3-CD2 4.12Å; W330-F425 HydrophobicContact CZ3-CE2 4.33Å; I333-F425 HydrophobicContact CD1-CD2 4.47Å; I333-F425 HydrophobicContact CD1-CE2 3.63Å; I333-F425 HydrophobicContact CD1-CZ 3.92Å; A421-F425 VanDerWaalsContact O-CD2 3.25Å; A421-F425 WeakPolarHBondContact O-CD2 3.34Å; A422-F425 PolarHBondContact O-N 3.27Å; D423-F425 PolarHBondContact O-N 2.74Å
426	L	97.6	Very high	97.7	Very high	76 Å²	76	8.7 Å²	8.7	40%	0.398	5%	0.049	S	C	.	.	H	α-helix	trans	-100.3	-40.9	-174.4	-64	178.9	0	0	0	113.7	P284 A422 D423	P284-L426 WeakPolarHBondContact CB-O 3.19Å; A422-L426 HydrophobicContact CB-CD1 3.99Å; A422-L426 VanDerWaalsContact O-CG 3.3Å; A422-L426 WeakPolarHBondContact O-CG 3.49Å; A422-L426 PolarHBondContact O-N 2.83Å; D423-L426 PolarHBondContact O-N 3.28Å
427	T	97.3	Very high	96.9	Very high	33 Å²	33	9.9 Å²	9.9	20%	0.202	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.8	-26.4	-170.4	57.2	0	0	0	0	113.3	T184 D423	T184-T427 VanDerWaalsContact CB-O 3.25Å; T184-T427 WeakPolarHBondContact CB-O 3.48Å; T184-T427 WeakPolarHBondContact O-CB 3.24Å; T184-T427 WeakPolarHBondContact O-CG2 3.06Å; T184-T427 PolarHBondContact OG1-O 3.36Å; D423-T427 PolarHBondContact O-N 3.22Å; D423-T427 PolarHBondContact O-OG1 3.04Å
428	T	97.8	Very high	95.3	Very high	3 Å²	3	15.9 Å²	15.9	2%	0.018	9%	0.086	C	C	.	.	S	Bend	trans	-91.9	137.7	-178.8	-69.2	0	0	0	0	111.1	V187 H189 S283 P284 D423 Y424	V187-T428 HydrophobicContact CG2-CG2 3.72Å; V187-T428 CarbonylContact O-C 3.47Å; V187-T428 WeakPolarHBondContact O-CA 3.47Å; V187-T428 WeakPolarHBondContact O-CG2 3.29Å; H189-T428 HydrophobicContact CB-CG2 3.38Å; S283-T428 PolarHBondContact OG-O 3Å; S283-T428 VanDerWaalsContact OG-O 3.05Å; P284-T428 WeakPolarHBondContact CD-O 3.03Å; D423-T428 WeakPolarHBondContact O-CB 3.25Å; D423-T428 PolarHBondContact O-N 2.96Å; Y424-T428 HydrophobicContact CD1-CG2 4Å; Y424-T428 HydrophobicContact CE1-CG2 4.44Å
429	A	98	Very high	93.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-79	130.2	175.9	0	0	0	0	0	112	F180 V187 H189 S190 Y239 S283 P284	F180-A429 HydrophobicContact CD1-CB 4.09Å; F180-A429 HydrophobicContact CE1-CB 3.26Å; F180-A429 HydrophobicContact CZ-CB 3.54Å; V187-A429 PolarHBondContact O-N 2.87Å; H189-A429 CarbonylContact C-O 3.45Å; H189-A429 VanDerWaalsContact C-O 3.25Å; H189-A429 WeakPolarHBondContact CA-O 3.45Å; H189-A429 VanDerWaalsContact CB-O 3.27Å; H189-A429 WeakPolarHBondContact CB-O 3.32Å; H189-A429 PolarHBondContact N-O 3.25Å; S190-A429 PolarHBondContact N-O 3.21Å; Y239-A429 HydrophobicContact CE1-CB 4.12Å; S283-A429 WeakPolarHBondContact O-CA 3.47Å; P284-A429 VanDerWaalsContact CD-CA 3.46Å
430	G	98.1	Very high	91.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	164.1	176.3	0	0	0	0	0	110.4	S190 G282 S283 T417	S190-G430 VanDerWaalsContact OG-CA 3.32Å; S190-G430 WeakPolarHBondContact OG-CA 3.25Å; S190-G430 PolarHBondContact OG-N 2.94Å; G282-G430 WeakPolarHBondContact CA-O 3.33Å; S283-G430 PolarHBondContact N-O 3.3Å; S283-G430 PolarHBondContact O-N 2.79Å; S283-G430 WeakPolarHBondContact OG-CA 3.41Å; S283-G430 PolarHBondContact OG-N 2.86Å; T417-G430 VanDerWaalsContact OG1-CA 3.23Å; T417-G430 WeakPolarHBondContact OG1-CA 3.35Å
431	V	98.5	Very high	88.7	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	153.2	172.3	-65	0	0	0	0	109.9	F192 I202 I235 A281 G416 T417	F192-V431 HydrophobicContact CD1-CG1 4.33Å; F192-V431 HydrophobicContact CD1-CG2 3.74Å; F192-V431 HydrophobicContact CE1-CG1 4.18Å; F192-V431 HydrophobicContact CE1-CG2 4.4Å; I202-V431 HydrophobicContact CG2-CG2 4.1Å; I235-V431 HydrophobicContact CD1-CG1 3.98Å; I235-V431 HydrophobicContact CG2-CG1 3.94Å; A281-V431 WeakPolarHBondContact O-CA 3.46Å; G416-V431 WeakPolarHBondContact CA-O 3.32Å; T417-V431 HydrophobicContact CG2-CG2 3.89Å; T417-V431 WeakPolarHBondContact CG2-O 3.49Å; T417-V431 PolarHBondContact N-O 3.07Å; T417-V431 VanDerWaalsContact N-O 3.1Å; T417-V431 PolarHBondContact OG1-N 2.03Å; T417-V431 PolarHBondContact OG1-O 3.49Å
432	S	98.7	Very high	86.1	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	152.6	170.6	61.6	0	0	0	0	111.9	I280 A281 D295 Y414 V415	I280-S432 CarbonylContact C-O 3.6Å; I280-S432 VanDerWaalsContact CA-O 3.27Å; I280-S432 WeakPolarHBondContact CA-O 3.45Å; I280-S432 WeakPolarHBondContact CG2-O 3.28Å; A281-S432 PolarHBondContact N-O 2.92Å; A281-S432 PolarHBondContact O-N 2.99Å; D295-S432 WeakPolarHBondContact OD1-CB 3.07Å; D295-S432 PolarHBondContact OD1-OG 3.27Å; Y414-S432 WeakPolarHBondContact CE2-OG 3.42Å; Y414-S432 WeakPolarHBondContact OH-CB 3.42Å; V415-S432 CarbonylContact O-C 3.05Å; V415-S432 VanDerWaalsContact O-CA 3.24Å; V415-S432 WeakPolarHBondContact O-CA 3Å; V415-S432 WeakPolarHBondContact O-CB 3.46Å
433	L	98.8	Very high	83.5	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	125.7	170.5	-179.4	62.7	0	0	0	108.3	I202 V220 V222 L228 L278 I280 V415 I435	I202-L433 HydrophobicContact CD1-CB 4.21Å; V220-L433 HydrophobicContact CB-CD2 4.17Å; V220-L433 HydrophobicContact CG1-CD2 4Å; V220-L433 HydrophobicContact CG2-CD2 4.48Å; V222-L433 HydrophobicContact CG2-CD2 4.14Å; L228-L433 HydrophobicContact CD1-CD1 4.19Å; L228-L433 HydrophobicContact CD2-CD1 4.39Å; L278-L433 HydrophobicContact CB-CD1 4.33Å; I280-L433 HydrophobicContact CG1-CD1 4.4Å; V415-L433 PolarHBondContact N-O 2.98Å; V415-L433 PolarHBondContact O-N 3.33Å; L433-I435 HydrophobicContact CD2-CD1 3.73Å; L433-I435 HydrophobicContact CD2-CG1 4.24Å; L433-I435 HydrophobicContact CG-CD1 3.81Å; L433-I435 HydrophobicContact CG-CG1 4.02Å
434	V	98.4	Very high	81.3	Confident	3 Å²	3	48.8 Å²	48.8	2%	0.018	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	127.9	173.9	-171.6	0	0	0	0	108.6	L278 Y279 A298 V412 Y414	L278-V434 WeakPolarHBondContact CA-O 3.2Å; L278-V434 WeakPolarHBondContact CB-O 3.4Å; Y279-V434 HydrophobicContact CD1-CB 4.02Å; Y279-V434 HydrophobicContact CD1-CG1 4.4Å; Y279-V434 HydrophobicContact CD2-CB 4.25Å; Y279-V434 HydrophobicContact CD2-CG2 4.23Å; Y279-V434 HydrophobicContact CE1-CB 3.58Å; Y279-V434 HydrophobicContact CE1-CG1 3.59Å; Y279-V434 HydrophobicContact CE1-CG2 4.21Å; Y279-V434 HydrophobicContact CE2-CB 3.82Å; Y279-V434 HydrophobicContact CE2-CG1 4.44Å; Y279-V434 HydrophobicContact CE2-CG2 3.56Å; Y279-V434 HydrophobicContact CG-CB 4.35Å; Y279-V434 VanDerWaalsContact CZ-CB 3.47Å; Y279-V434 PolarHBondContact N-O 2.87Å; Y279-V434 VanDerWaalsContact N-O 3.09Å; Y279-V434 PolarHBondContact O-N 2.99Å; A298-V434 HydrophobicContact CB-CG2 3.94Å; V412-V434 HydrophobicContact CG1-CG1 3.5Å; Y414-V434 HydrophobicContact CD2-CG2 3.96Å
435	I	96.1	Very high	79.1	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	128.4	178.8	-59.7	128.5	0	0	0	108.5	S277 L278 V412 A413 L433 Q437 L449	S277-I435 WeakPolarHBondContact O-CA 3.38Å; L278-I435 HydrophobicContact CB-CG1 4.2Å; V412-I435 WeakPolarHBondContact CA-O 3.46Å; A413-I435 HydrophobicContact CB-CB 4.48Å; A413-I435 PolarHBondContact N-O 3.08Å; A413-I435 PolarHBondContact O-N 2.72Å; L433-I435 HydrophobicContact CD2-CD1 3.73Å; L433-I435 HydrophobicContact CD2-CG1 4.24Å; L433-I435 HydrophobicContact CG-CD1 3.81Å; L433-I435 HydrophobicContact CG-CG1 4.02Å; I435-Q437 HydrophobicContact CG2-CG 4.11Å; I435-L449 HydrophobicContact CD1-CD2 3.35Å; I435-L449 HydrophobicContact CD1-CG 4.32Å; I435-L449 HydrophobicContact CG1-CD2 4.44Å
436	S	92.6	Very high	77.1	Confident	34 Å²	34	56.8 Å²	56.8	24%	0.238	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	144.2	165.3	59.3	0	0	0	0	109.7	S276 S277 K411	S276-S436 CarbonylContact C-O 3.56Å; S276-S436 WeakPolarHBondContact CA-O 3.44Å; S277-S436 WeakPolarHBondContact CB-OG 3.33Å; S277-S436 PolarHBondContact N-O 2.57Å; S277-S436 PolarHBondContact O-N 3.35Å; K411-S436 WeakPolarHBondContact O-CB 2.97Å
437	Q	81.4	Confident	75.7	Confident	24 Å²	24	60.1 Å²	60.1	11%	0.112	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	123.8	-177	-59.3	-163.7	-55.2	0	0	110	S276 I435 T439 T448	S276-Q437 PolarHBondContact OG-NE2 3.12Å; I435-Q437 HydrophobicContact CG2-CG 4.11Å; Q437-T439 VanDerWaalsContact C-N 3.32Å; Q437-T439 PolarHBondContact O-N 3.11Å; Q437-T439 VanDerWaalsContact O-N 3.13Å; Q437-T448 PolarHBondContact OE1-OG1 3.47Å
438	N	65.1	Low	75.2	Confident	127 Å²	127	58.6 Å²	58.6	68%	0.679	33%	0.33	S	S	*	.			trans	-85.7	79.7	171.7	-71.6	-19.2	0	0	0	107.9
439	T	57.3	Low	74.8	Confident	57 Å²	57	58.5 Å²	58.5	35%	0.35	33%	0.33	S	S	.	.			trans	-102	124.1	170.8	41.5	0	0	0	0	110	I274 Q437	I274-T439 HydrophobicContact CG2-CG2 4Å; Q437-T439 VanDerWaalsContact C-N 3.32Å; Q437-T439 PolarHBondContact O-N 3.11Å; Q437-T439 VanDerWaalsContact O-N 3.13Å
440	P	49.8	Very low	74.4	Confident	105 Å²	105	59.9 Å²	59.9	68%	0.682	34%	0.335	S	S	*	.			trans	-56	138.4	160.5	-18.2	30.3	0	0	0	108.5	S442	P440-S442 PolarHBondContact O-N 3.45Å
441	H	47.2	Very low	74	Confident	192 Å²	192	62.8 Å²	62.8	89%	0.889	35%	0.349	S	S	*	.	S	Bend	trans	-63	30.9	-176.3	-71.6	-65.3	0	0	0	115.7
442	S	42.9	Very low	73.7	Confident	95 Å²	95	64.4 Å²	64.4	66%	0.664	36%	0.356	S	S	*	.			trans	-96.6	104.9	176.6	59.6	0	0	0	0	111.5	P440 L444	P440-S442 PolarHBondContact O-N 3.45Å; S442-L444 PolarHBondContact O-N 2.92Å
443	A	45.3	Very low	73.5	Confident	99 Å²	99	64.5 Å²	64.5	82%	0.818	36%	0.356	S	S	*	.	S	Bend	trans	-8.9	87.2	156.1	0	0	0	0	0	117.4
444	L	49.4	Very low	73.3	Confident	151 Å²	151	66 Å²	66	79%	0.791	36%	0.363	S	S	*	.			trans	-179.5	135.4	140.2	-127.7	73.7	0	0	0	104.5	S442	S442-L444 PolarHBondContact O-N 2.92Å
445	N	53.3	Low	73.1	Confident	60 Å²	60	68 Å²	68	32%	0.321	37%	0.374	S	S	.	.			trans	145.3	70.2	150.5	-68.2	-25.4	0	0	0	112.9	I274 K447 T448 H451	I274-N445 HydrophobicContact CD1-CB 4.24Å; I274-N445 VanDerWaalsContact CD1-ND2 3.26Å; I274-N445 WeakPolarHBondContact CD1-ND2 3.43Å; N445-K447 PolarHBondContact O-N 3.36Å; N445-T448 HydrophobicContact CB-CG2 4.18Å; N445-T448 PolarHBondContact O-N 2.94Å; N445-H451 PolarHBondContact O-ND1 3.29Å
446	N	55.6	Low	73.1	Confident	131 Å²	131	68 Å²	68	70%	0.701	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	6.8	156	-64.7	9.1	0	0	0	113.1
447	K	68.9	Low	73.4	Confident	146 Å²	146	66.3 Å²	66.3	64%	0.635	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-22.9	-178.2	-67.4	-170.5	174.4	-171.6	0	113.4	N445 Q452	N445-K447 PolarHBondContact O-N 3.36Å; K447-Q452 PolarHBondContact O-NE2 3.41Å
448	T	85.8	Confident	74.2	Confident	2 Å²	2	67.2 Å²	67.2	1%	0.012	37%	0.368	C	S	.	.	S	Bend	trans	-75.5	146.5	-176	78.2	0	0	0	0	112	I274 Q437 N445 Y450 H451 Q452	I274-T448 HydrophobicContact CD1-CG2 3.42Å; I274-T448 VanDerWaalsContact CD1-CG2 3.42Å; I274-T448 HydrophobicContact CG2-CG2 4.01Å; Q437-T448 PolarHBondContact OE1-OG1 3.47Å; N445-T448 HydrophobicContact CB-CG2 4.18Å; N445-T448 PolarHBondContact O-N 2.94Å; T448-Y450 PolarHBondContact O-N 3.31Å; T448-H451 PolarHBondContact O-N 3.04Å; T448-H451 PolarHBondContact OG1-N 3.47Å; T448-H451 PolarHBondContact OG1-ND1 2.87Å; T448-Q452 WeakPolarHBondContact O-CG 3.3Å; T448-Q452 PolarHBondContact O-N 2.97Å
449	L	88.8	Confident	75.7	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.005	34%	0.34	C	S	.	.	H	α-helix	trans	-56.5	-35.7	177.3	-179.4	60.6	0	0	0	112.9	M71 L73 V220 I435 Q452 L453	M71-L449 HydrophobicContact CB-CB 4.35Å; M71-L449 HydrophobicContact CB-CD2 4.06Å; M71-L449 HydrophobicContact SD-CD2 4.32Å; L73-L449 HydrophobicContact CB-CD1 3.87Å; L73-L449 HydrophobicContact CD1-CD1 3.96Å; V220-L449 HydrophobicContact CB-CD2 4.3Å; V220-L449 HydrophobicContact CG1-CD1 4.39Å; V220-L449 HydrophobicContact CG1-CD2 3.44Å; V220-L449 VanDerWaalsContact CG1-CD2 3.44Å; V220-L449 HydrophobicContact CG2-CD1 4.18Å; V220-L449 HydrophobicContact CG2-CD2 3.82Å; I435-L449 HydrophobicContact CD1-CD2 3.35Å; I435-L449 HydrophobicContact CD1-CG 4.32Å; I435-L449 HydrophobicContact CG1-CD2 4.44Å; L449-Q452 PolarHBondContact O-N 3.49Å; L449-L453 WeakPolarHBondContact O-CB 3.36Å; L449-L453 PolarHBondContact O-N 3.01Å
450	Y	90.6	Very high	77.6	Confident	29 Å²	29	59.7 Å²	59.7	11%	0.114	32%	0.323	C	S	.	.	H	α-helix	trans	-57.8	-50.9	172.9	169.9	-90.3	0	0	0	112	V408 T409 D410 A413 T448 L453 K454	V408-Y450 HydrophobicContact CG2-CD2 4.07Å; V408-Y450 HydrophobicContact CG2-CE2 3.76Å; T409-Y450 WeakPolarHBondContact O-CE2 3.28Å; T409-Y450 PolarHBondContact O-OH 2.89Å; D410-Y450 WeakPolarHBondContact CA-OH 3.28Å; A413-Y450 HydrophobicContact CB-CD2 4.27Å; T448-Y450 PolarHBondContact O-N 3.31Å; Y450-L453 PolarHBondContact O-N 3.48Å; Y450-K454 PolarHBondContact O-N 3.29Å
451	H	88.9	Confident	79.9	Confident	61 Å²	61	55.2 Å²	55.2	28%	0.282	29%	0.293	S	S	.	.	H	α-helix	trans	-67.2	-41.3	179.5	-70.9	103.5	0	0	0	111.1	N445 T448 L453 K454 D455	N445-H451 PolarHBondContact O-ND1 3.29Å; T448-H451 PolarHBondContact O-N 3.04Å; T448-H451 PolarHBondContact OG1-N 3.47Å; T448-H451 PolarHBondContact OG1-ND1 2.87Å; H451-L453 VanDerWaalsContact C-N 3.3Å; H451-L453 PolarHBondContact O-N 2.78Å; H451-K454 PolarHBondContact O-N 3.1Å; H451-K454 VanDerWaalsContact O-N 3.16Å; H451-D455 WeakPolarHBondContact O-CB 3.49Å; H451-D455 VanDerWaalsContact O-CG 3.23Å; H451-D455 PolarHBondContact O-N 2.69Å
452	Q	92.3	Very high	82.3	Confident	34 Å²	34	52.3 Å²	52.3	16%	0.159	28%	0.279	C	S	.	.	H	α-helix	trans	-55.5	-45.4	174.1	-67.4	174.6	39	0	0	111.6	L73 K447 T448 L449 D455 V456	L73-Q452 HydrophobicContact CB-CB 4.17Å; L73-Q452 VanDerWaalsContact CB-OE1 3.22Å; L73-Q452 HydrophobicContact CD2-CB 4.28Å; L73-Q452 VanDerWaalsContact N-OE1 3.12Å; K447-Q452 PolarHBondContact O-NE2 3.41Å; T448-Q452 WeakPolarHBondContact O-CG 3.3Å; T448-Q452 PolarHBondContact O-N 2.97Å; L449-Q452 PolarHBondContact O-N 3.49Å; Q452-D455 PolarHBondContact O-N 3.42Å; Q452-V456 PolarHBondContact O-N 2.95Å
453	L	94.8	Very high	84.9	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-66.8	-40.5	178.7	-169.4	64.2	0	0	0	111.9	L73 L218 Y406 V408 A413 V415 L449 Y450 H451 V456 F457	L73-L453 HydrophobicContact CD1-CD1 3.85Å; L218-L453 HydrophobicContact CD1-CD1 3.85Å; L218-L453 HydrophobicContact CD2-CD1 3.83Å; L218-L453 HydrophobicContact CG-CD1 4.48Å; Y406-L453 HydrophobicContact CD1-CD1 4.17Å; Y406-L453 HydrophobicContact CD2-CD1 3.55Å; Y406-L453 HydrophobicContact CD2-CD2 3.88Å; Y406-L453 HydrophobicContact CD2-CG 3.74Å; Y406-L453 HydrophobicContact CE1-CD1 4.37Å; Y406-L453 HydrophobicContact CE2-CD1 3.8Å; Y406-L453 HydrophobicContact CE2-CG 3.98Å; Y406-L453 HydrophobicContact CG-CD1 3.76Å; Y406-L453 HydrophobicContact CG-CD2 4.42Å; Y406-L453 HydrophobicContact CG-CG 4.4Å; V408-L453 HydrophobicContact CB-CD2 4.23Å; V408-L453 HydrophobicContact CB-CG 4.43Å; A413-L453 HydrophobicContact CB-CD2 3.78Å; V415-L453 HydrophobicContact CG2-CD1 4.48Å; V415-L453 HydrophobicContact CG2-CD2 4.08Å; L449-L453 WeakPolarHBondContact O-CB 3.36Å; L449-L453 PolarHBondContact O-N 3.01Å; Y450-L453 PolarHBondContact O-N 3.48Å; H451-L453 VanDerWaalsContact C-N 3.3Å; H451-L453 PolarHBondContact O-N 2.78Å; L453-V456 PolarHBondContact O-N 3.14Å; L453-F457 PolarHBondContact O-N 3.22Å
454	K	94.9	Very high	87.3	Confident	32 Å²	32	51.4 Å²	51.4	14%	0.139	25%	0.25	C	C	.	.	H	α-helix	trans	-63.3	-41.3	175.3	-177	64.9	-179.3	-165.3	0	112	F309 D311 V408 Y450 H451 F457 N458	F309-K454 HydrophobicContact CE2-CD 3.91Å; F309-K454 HydrophobicContact CZ-CD 3.88Å; D311-K454 IonicContact OD2-NZ 3.38Å; D311-K454 PolarHBondContact OD2-NZ 3.28Å; V408-K454 HydrophobicContact CG1-CD 3.99Å; V408-K454 HydrophobicContact CG2-CB 4.23Å; V408-K454 HydrophobicContact CG2-CD 4.38Å; Y450-K454 PolarHBondContact O-N 3.29Å; H451-K454 PolarHBondContact O-N 3.1Å; H451-K454 VanDerWaalsContact O-N 3.16Å; K454-F457 PolarHBondContact O-N 3.16Å; K454-N458 WeakPolarHBondContact O-CB 3.43Å; K454-N458 PolarHBondContact O-N 2.93Å; K454-N458 PolarHBondContact O-ND2 2.89Å
455	D	94.9	Very high	89.5	Confident	46 Å²	46	45 Å²	45	25%	0.246	22%	0.215	C	C	.	.	H	α-helix	trans	-68.3	-41.2	179.2	-70.7	-19.2	0	0	0	111.1	T88 H451 Q452 N458 R459	T88-D455 HydrophobicContact CG2-CB 4.32Å; H451-D455 WeakPolarHBondContact O-CB 3.49Å; H451-D455 VanDerWaalsContact O-CG 3.23Å; H451-D455 PolarHBondContact O-N 2.69Å; Q452-D455 PolarHBondContact O-N 3.42Å; D455-N458 PolarHBondContact O-N 3.44Å; D455-R459 WeakPolarHBondContact O-CB 3.48Å; D455-R459 PolarHBondContact O-N 2.59Å
456	V	96.1	Very high	91.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-62.6	-44	172.3	163.4	0	0	0	0	111.7	L73 L218 Q452 L453 N458 R459 D460	L73-V456 HydrophobicContact CD2-CB 4.07Å; L73-V456 HydrophobicContact CD2-CG2 3.43Å; L73-V456 VanDerWaalsContact CD2-CG2 3.43Å; L218-V456 HydrophobicContact CD1-CG1 3.93Å; Q452-V456 PolarHBondContact O-N 2.95Å; L453-V456 PolarHBondContact O-N 3.14Å; V456-N458 VanDerWaalsContact C-N 3.33Å; V456-N458 PolarHBondContact O-N 3.16Å; V456-R459 PolarHBondContact O-N 2.91Å; V456-D460 WeakPolarHBondContact O-CB 3.29Å; V456-D460 VanDerWaalsContact O-CG 3.22Å; V456-D460 PolarHBondContact O-N 3.15Å
457	F	97.9	Very high	93.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-58.6	-47.1	174.2	-174.9	-86.4	0	0	0	111.4	D311 V312 A313 R349 L351 Y406 V408 L453 K454 D460 W461	D311-F457 HydrophobicContact CB-CD1 3.7Å; D311-F457 HydrophobicContact CB-CD2 3.87Å; D311-F457 HydrophobicContact CB-CE1 3.62Å; D311-F457 HydrophobicContact CB-CE2 3.78Å; D311-F457 HydrophobicContact CB-CG 3.84Å; D311-F457 HydrophobicContact CB-CZ 3.65Å; D311-F457 VanDerWaalsContact CG-CE1 3.45Å; D311-F457 WeakPolarHBondContact OD2-CD1 3.25Å; V312-F457 WeakPolarHBondContact O-CE2 3.31Å; A313-F457 HydrophobicContact CB-CD2 4.28Å; A313-F457 HydrophobicContact CB-CE2 4.35Å; R349-F457 HydrophobicContact CB-CE1 4Å; R349-F457 HydrophobicContact CB-CZ 3.81Å; R349-F457 VanDerWaalsContact CZ-CE1 3.49Å; L351-F457 HydrophobicContact CB-CE2 3.99Å; L351-F457 HydrophobicContact CB-CZ 4.35Å; Y406-F457 HydrophobicContact CE2-CB 4.03Å; Y406-F457 AromaticContact CE2-CD2 3.87Å; Y406-F457 HydrophobicContact CE2-CD2 3.87Å; Y406-F457 HydrophobicContact CE2-CG 4.43Å; Y406-F457 AromaticContact CZ-CD2 3.99Å; Y406-F457 WeakPolarHBondContact OH-CA 3.11Å; Y406-F457 WeakPolarHBondContact OH-CB 3.41Å; Y406-F457 WeakPolarHBondContact OH-CD2 3.37Å; Y406-F457 PolarHBondContact OH-N 2.89Å; V408-F457 HydrophobicContact CG1-CB 4.4Å; L453-F457 PolarHBondContact O-N 3.22Å; K454-F457 PolarHBondContact O-N 3.16Å; F457-D460 PolarHBondContact O-N 3.2Å; F457-W461 HydrophobicContact CD1-CB 4.27Å; F457-W461 HydrophobicContact CE1-CB 3.99Å; F457-W461 HydrophobicContact CE1-CD2 4.09Å; F457-W461 AromaticContact CE1-CE3 3.87Å; F457-W461 HydrophobicContact CE1-CE3 3.87Å; F457-W461 HydrophobicContact CE1-CG 4.15Å; F457-W461 HydrophobicContact CZ-CD2 4.34Å; F457-W461 AromaticContact CZ-CE3 3.65Å; F457-W461 HydrophobicContact CZ-CE3 3.65Å; F457-W461 HydrophobicContact CZ-CZ3 4.23Å; F457-W461 WeakPolarHBondContact O-CB 3.37Å; F457-W461 PolarHBondContact O-N 3.36Å
458	N	97.5	Very high	94.9	Very high	43 Å²	43	33.8 Å²	33.8	23%	0.23	16%	0.162	C	C	.	.	H	α-helix	trans	-64.1	-41.7	179.7	-76.7	-31.7	0	0	0	112.1	R349 K454 D455 V456 W461 H462	R349-N458 PolarHBondContact NH1-OD1 2.88Å; R349-N458 PolarHBondContact NH2-OD1 3.18Å; K454-N458 WeakPolarHBondContact O-CB 3.43Å; K454-N458 PolarHBondContact O-N 2.93Å; K454-N458 PolarHBondContact O-ND2 2.89Å; D455-N458 PolarHBondContact O-N 3.44Å; V456-N458 VanDerWaalsContact C-N 3.33Å; V456-N458 PolarHBondContact O-N 3.16Å; N458-W461 PolarHBondContact O-N 3.49Å; N458-H462 PolarHBondContact O-N 3.39Å; N458-H462 VanDerWaalsContact O-N 3.1Å; N458-H462 PolarHBondContact O-ND1 3.09Å
459	R	97.3	Very high	95.3	Very high	26 Å²	26	34.6 Å²	34.6	10%	0.098	17%	0.167	C	C	.	.	H	α-helix	trans	-56.9	-52.5	173.8	178.6	-159.8	66	-160.8	3.6	110.3	E75 Y83 A87 T88 D455 V456 W461 H462 S463	E75-R459 IonicContact OE1-CZ 3.77Å; E75-R459 IonicContact OE1-NH1 2.88Å; E75-R459 PolarHBondContact OE1-NH1 3.28Å; E75-R459 IonicContact OE1-NH2 3.54Å; E75-R459 IonicContact OE2-CZ 2.68Å; E75-R459 IonicContact OE2-NH1 2.7Å; E75-R459 PolarHBondContact OE2-NH1 3.25Å; E75-R459 IonicContact OE2-NH2 3.59Å; E75-R459 PolarHBondContact OE2-NH2 2.85Å; Y83-R459 HydrophobicContact CD1-CG 3.63Å; Y83-R459 HydrophobicContact CE1-CG 3.88Å; Y83-R459 HydrophobicContact CG-CG 4.36Å; A87-R459 HydrophobicContact CB-CG 4.04Å; T88-R459 WeakPolarHBondContact O-CD 3.43Å; T88-R459 PolarHBondContact O-NH1 3.07Å; D455-R459 WeakPolarHBondContact O-CB 3.48Å; D455-R459 PolarHBondContact O-N 2.59Å; V456-R459 PolarHBondContact O-N 2.91Å; R459-W461 PolarHBondContact O-N 3.48Å; R459-H462 PolarHBondContact O-N 3.27Å; R459-S463 WeakPolarHBondContact O-CB 3.46Å; R459-S463 PolarHBondContact O-N 3.16Å; R459-S463 VanDerWaalsContact O-N 3.08Å
460	D	97.8	Very high	95.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-65	-42.9	-177.1	-64.7	-6.7	0	0	0	110.8	Y83 K216 L351 Y386 V456 F457 H462 S463 A466	Y83-D460 PolarHBondContact OH-OD1 2.68Å; Y83-D460 VanDerWaalsContact OH-OD1 3.06Å; K216-D460 VanDerWaalsContact CE-CG 3.5Å; K216-D460 WeakPolarHBondContact CE-OD2 3.16Å; K216-D460 IonicContact NZ-OD1 2.87Å; K216-D460 IonicContact NZ-OD2 3.09Å; K216-D460 PolarHBondContact NZ-OD2 3.29Å; K216-D460 VanDerWaalsContact NZ-OD2 3.13Å; L351-D460 HydrophobicContact CD2-CB 3.67Å; Y386-D460 HydrophobicContact CD2-CB 4.35Å; Y386-D460 HydrophobicContact CE2-CB 3.83Å; V456-D460 WeakPolarHBondContact O-CB 3.29Å; V456-D460 VanDerWaalsContact O-CG 3.22Å; V456-D460 PolarHBondContact O-N 3.15Å; F457-D460 PolarHBondContact O-N 3.2Å; D460-H462 PolarHBondContact O-N 3.42Å; D460-S463 WeakPolarHBondContact O-CB 3.44Å; D460-S463 PolarHBondContact O-N 3.12Å; D460-S463 PolarHBondContact O-OG 2.81Å; D460-A466 VanDerWaalsContact O-CB 3.25Å; D460-A466 WeakPolarHBondContact O-CB 3.49Å
461	W	98.3	Very high	95.5	Very high	10 Å²	10	47.5 Å²	47.5	4%	0.038	22%	0.222	C	C	.	.	H	α-helix	trans	-62.1	-36.5	-179.7	-178.8	-92.1	0	0	0	114.5	R349 L351 Q382 K384 F457 N458 R459 A466	R349-W461 HydrophobicContact CB-CE3 4.14Å; R349-W461 HydrophobicContact CB-CH2 3.74Å; R349-W461 HydrophobicContact CB-CZ2 4.15Å; R349-W461 HydrophobicContact CB-CZ3 3.74Å; R349-W461 HydrophobicContact CG-CH2 4.05Å; R349-W461 HydrophobicContact CG-CZ2 3.98Å; R349-W461 HydrophobicContact CG-CZ3 4.47Å; L351-W461 HydrophobicContact CB-CE3 4.33Å; L351-W461 HydrophobicContact CD1-CE3 4.28Å; Q382-W461 HydrophobicContact CB-CH2 3.73Å; Q382-W461 HydrophobicContact CB-CZ2 3.82Å; K384-W461 HydrophobicContact CB-CE3 4.46Å; K384-W461 HydrophobicContact CB-CH2 4.24Å; K384-W461 HydrophobicContact CB-CZ3 3.97Å; K384-W461 HydrophobicContact CD-CD2 4.01Å; K384-W461 HydrophobicContact CD-CE3 4.09Å; K384-W461 HydrophobicContact CD-CH2 4.02Å; K384-W461 HydrophobicContact CD-CZ2 3.94Å; K384-W461 HydrophobicContact CD-CZ3 4.08Å; K384-W461 HydrophobicContact CG-CE3 4.42Å; K384-W461 HydrophobicContact CG-CH2 3.73Å; K384-W461 HydrophobicContact CG-CZ2 4.05Å; K384-W461 HydrophobicContact CG-CZ3 3.93Å; K384-W461 PolarHBondContact NZ-O 3.06Å; F457-W461 HydrophobicContact CD1-CB 4.27Å; F457-W461 HydrophobicContact CE1-CB 3.99Å; F457-W461 HydrophobicContact CE1-CD2 4.09Å; F457-W461 AromaticContact CE1-CE3 3.87Å; F457-W461 HydrophobicContact CE1-CE3 3.87Å; F457-W461 HydrophobicContact CE1-CG 4.15Å; F457-W461 HydrophobicContact CZ-CD2 4.34Å; F457-W461 AromaticContact CZ-CE3 3.65Å; F457-W461 HydrophobicContact CZ-CE3 3.65Å; F457-W461 HydrophobicContact CZ-CZ3 4.23Å; F457-W461 WeakPolarHBondContact O-CB 3.37Å; F457-W461 PolarHBondContact O-N 3.36Å; N458-W461 PolarHBondContact O-N 3.49Å; R459-W461 PolarHBondContact O-N 3.48Å; W461-A466 WeakPolarHBondContact O-CB 3.39Å
462	H	97.4	Very high	95.5	Very high	131 Å²	131	45.2 Å²	45.2	61%	0.606	21%	0.212	S	C	*	.	H	α-helix	trans	-95.5	-1.9	-179.7	-59.8	99.7	0	0	0	113.1	N458 R459 D460	N458-H462 PolarHBondContact O-N 3.39Å; N458-H462 VanDerWaalsContact O-N 3.1Å; N458-H462 PolarHBondContact O-ND1 3.09Å; R459-H462 PolarHBondContact O-N 3.27Å; D460-H462 PolarHBondContact O-N 3.42Å
463	S	96.9	Very high	95.4	Very high	17 Å²	17	45.8 Å²	45.8	12%	0.119	23%	0.227	C	C	.	.	S	Bend	trans	-69.9	160.3	175.3	73.8	0	0	0	0	112.3	R459 D460 F465 A466	R459-S463 WeakPolarHBondContact O-CB 3.46Å; R459-S463 PolarHBondContact O-N 3.16Å; R459-S463 VanDerWaalsContact O-N 3.08Å; D460-S463 WeakPolarHBondContact O-CB 3.44Å; D460-S463 PolarHBondContact O-N 3.12Å; D460-S463 PolarHBondContact O-OG 2.81Å; S463-F465 PolarHBondContact O-N 3.14Å; S463-F465 PolarHBondContact OG-N 2.95Å; S463-A466 PolarHBondContact O-N 2.62Å
464	E	95.1	Very high	95.3	Very high	159 Å²	159	52.1 Å²	52.1	74%	0.743	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-18.8	172.3	65.3	180	135.7	0	0	113.2	A466	E464-A466 VanDerWaalsContact C-N 3.29Å; E464-A466 PolarHBondContact O-N 3.22Å
465	F	96.8	Very high	95.2	Very high	16 Å²	16	52.3 Å²	52.3	7%	0.07	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-12.8	179.8	-48.3	-56.6	0	0	0	113	L81 K82 Y83 Y386 I387 P389 S463	L81-F465 HydrophobicContact CD1-CD1 3.62Å; L81-F465 HydrophobicContact CD1-CD2 3.82Å; L81-F465 HydrophobicContact CD1-CE1 3.33Å; L81-F465 HydrophobicContact CD1-CE2 3.53Å; L81-F465 HydrophobicContact CD1-CG 3.87Å; L81-F465 HydrophobicContact CD1-CZ 3.3Å; L81-F465 HydrophobicContact CD2-CD2 4.37Å; L81-F465 HydrophobicContact CD2-CE2 4.36Å; L81-F465 HydrophobicContact CG-CD2 4.11Å; L81-F465 HydrophobicContact CG-CE1 4.34Å; L81-F465 HydrophobicContact CG-CE2 3.67Å; L81-F465 HydrophobicContact CG-CZ 3.83Å; K82-F465 WeakPolarHBondContact O-CE2 3.42Å; K82-F465 WeakPolarHBondContact O-CZ 3.31Å; Y83-F465 HydrophobicContact CD1-CE2 4.5Å; Y83-F465 HydrophobicContact CE1-CD2 4.24Å; Y83-F465 HydrophobicContact CE1-CE2 4.41Å; Y386-F465 CarbonylContact C-O 3.52Å; Y386-F465 WeakPolarHBondContact CA-O 3.34Å; Y386-F465 HydrophobicContact CD2-CB 4.36Å; Y386-F465 HydrophobicContact CE1-CB 3.97Å; Y386-F465 HydrophobicContact CE2-CB 3.82Å; Y386-F465 VanDerWaalsContact OH-CD2 3.31Å; Y386-F465 WeakPolarHBondContact OH-CD2 3.23Å; I387-F465 PolarHBondContact N-O 2.86Å; P389-F465 HydrophobicContact CG-CD1 4.01Å; P389-F465 HydrophobicContact CG-CE1 4Å; S463-F465 PolarHBondContact O-N 3.14Å; S463-F465 PolarHBondContact OG-N 2.95Å
466	A	97.9	Very high	95.1	Very high	8 Å²	8	54.3 Å²	54.3	7%	0.066	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	96.8	-179.4	0	0	0	0	0	111.2	L351 K384 L385 Y386 D460 W461 S463 E464	L351-A466 HydrophobicContact CD1-CB 3.81Å; K384-A466 HydrophobicContact CB-CB 4.46Å; K384-A466 HydrophobicContact CD-CB 3.8Å; K384-A466 PolarHBondContact NZ-O 2.76Å; L385-A466 CarbonylContact O-C 3.26Å; L385-A466 WeakPolarHBondContact O-CA 3.2Å; Y386-A466 HydrophobicContact CD2-CB 4.41Å; D460-A466 VanDerWaalsContact O-CB 3.25Å; D460-A466 WeakPolarHBondContact O-CB 3.49Å; W461-A466 WeakPolarHBondContact O-CB 3.39Å; S463-A466 PolarHBondContact O-N 2.62Å; E464-A466 VanDerWaalsContact C-N 3.29Å; E464-A466 PolarHBondContact O-N 3.22Å
467	V	97.6	Very high	95	Very high	32 Å²	32	55.3 Å²	55.3	19%	0.194	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	132.1	-174.2	-174.3	0	0	0	0	110.5	K384 L385 I387	K384-V467 CarbonylContact C-O 3.5Å; K384-V467 VanDerWaalsContact CA-O 3.26Å; K384-V467 WeakPolarHBondContact CA-O 3.25Å; K384-V467 WeakPolarHBondContact CB-O 3.13Å; L385-V467 PolarHBondContact N-O 3.19Å; L385-V467 PolarHBondContact O-N 2.99Å; I387-V467 HydrophobicContact CD1-CB 4.34Å; I387-V467 HydrophobicContact CD1-CG2 4.05Å
468	H	95.9	Very high	94.9	Very high	61 Å²	61	55.5 Å²	55.5	28%	0.282	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	145.3	173.6	-71.1	-82.3	0	0	0	111.2	K384 R470 D471 L472	K384-H468 WeakPolarHBondContact CE-CE1 3.5Å; K384-H468 WeakPolarHBondContact CE-NE2 3.48Å; H468-R470 HydrophobicContact CB-CG 4.11Å; H468-R470 PolarHBondContact O-N 3.41Å; H468-D471 HydrophobicContact CB-CB 4.23Å; H468-D471 WeakPolarHBondContact CB-OD2 3.25Å; H468-D471 IonicContact CD2-OD2 2.93Å; H468-D471 IonicContact CG-OD2 3.62Å; H468-D471 CarbonylContact O-C 3.22Å; H468-D471 PolarHBondContact O-N 3.48Å; H468-L472 PolarHBondContact O-N 3.47Å
469	L	93.9	Very high	94.8	Very high	20 Å²	20	54.9 Å²	54.9	11%	0.105	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-54	-39.4	178.6	-71.4	170.8	0	0	0	113.3	L363 L366 L367 A370 I383 L385 D471 L472	L363-L469 HydrophobicContact CD1-CD2 4.04Å; L366-L469 HydrophobicContact CB-CD1 4.04Å; L366-L469 HydrophobicContact CB-CD2 4.45Å; L366-L469 HydrophobicContact CD1-CD2 4.5Å; L367-L469 HydrophobicContact CD2-CB 4.46Å; L367-L469 HydrophobicContact CD2-CD1 4.44Å; A370-L469 HydrophobicContact CB-CD1 3.78Å; I383-L469 HydrophobicContact CB-CD1 3.82Å; I383-L469 HydrophobicContact CB-CG 4.5Å; I383-L469 HydrophobicContact CG2-CD1 3.83Å; I383-L469 HydrophobicContact CG2-CG 4.31Å; L385-L469 HydrophobicContact CD1-CD2 3.97Å; L385-L469 HydrophobicContact CD2-CD2 3.91Å; L385-L469 HydrophobicContact CG-CD2 3.74Å; L469-D471 VanDerWaalsContact C-N 3.27Å; L469-D471 PolarHBondContact O-N 2.85Å; L469-L472 WeakPolarHBondContact O-CB 3.26Å
470	R	90.1	Very high	94.8	Very high	207 Å²	207	53.8 Å²	53.8	78%	0.781	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-69.6	-22.8	178.3	63.5	174	-175.3	-160.5	-1.9	114.1	H468	H468-R470 HydrophobicContact CB-CG 4.11Å; H468-R470 PolarHBondContact O-N 3.41Å
471	D	92.7	Very high	94.5	Very high	93 Å²	93	54.6 Å²	54.6	50%	0.497	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-103.7	6.5	-175	-57.1	-38.3	0	0	0	111.3	H468 L469 G473	H468-D471 HydrophobicContact CB-CB 4.23Å; H468-D471 WeakPolarHBondContact CB-OD2 3.25Å; H468-D471 IonicContact CD2-OD2 2.93Å; H468-D471 IonicContact CG-OD2 3.62Å; H468-D471 CarbonylContact O-C 3.22Å; H468-D471 PolarHBondContact O-N 3.48Å; L469-D471 VanDerWaalsContact C-N 3.27Å; L469-D471 PolarHBondContact O-N 2.85Å; D471-G473 VanDerWaalsContact C-N 3.28Å; D471-G473 PolarHBondContact O-N 2.96Å
472	L	89.5	Confident	93.7	Very high	13 Å²	13	58 Å²	58	7%	0.068	31%	0.307	C	S	.	.			trans	-58.7	-37.8	-172.2	-177.1	55.5	0	0	0	113	L385 I387 H468 L469 C478	L385-L472 HydrophobicContact CD1-CD1 3.91Å; L385-L472 HydrophobicContact CD1-CD2 3.63Å; L385-L472 HydrophobicContact CD1-CG 4.38Å; I387-L472 HydrophobicContact CD1-CD1 3.77Å; H468-L472 PolarHBondContact O-N 3.47Å; L469-L472 WeakPolarHBondContact O-CB 3.26Å; L472-C478 HydrophobicContact CD1-CB 4.49Å
473	G	90.3	Very high	92.5	Very high	46 Å²	46	65.7 Å²	65.7	47%	0.474	33%	0.331	S	S	.	.			trans	52	-161.4	-177.4	0	0	0	0	0	112.7	D471 S481 P482	D471-G473 VanDerWaalsContact C-N 3.28Å; D471-G473 PolarHBondContact O-N 2.96Å; G473-S481 WeakPolarHBondContact O-CB 3.4Å; G473-P482 WeakPolarHBondContact O-CD 3.45Å
474	H	92.5	Very high	92.3	Very high	134 Å²	134	68.2 Å²	68.2	62%	0.62	34%	0.341	S	S	*	.	S	Bend	trans	-77.9	121.7	166.2	-179.9	75.8	0	0	0	109	P482	H474-P482 PolarHBondContact ND1-O 3.02Å
475	N	93.6	Very high	92.2	Very high	37 Å²	37	63.4 Å²	63.4	20%	0.198	32%	0.32	C	S	.	.			trans	-137.9	108.2	177.9	-171.5	-38.5	0	0	0	110.5	I387 D477 C478 S481	I387-N475 WeakPolarHBondContact CD1-ND2 3.26Å; N475-D477 PolarHBondContact O-N 2.83Å; N475-D477 VanDerWaalsContact O-N 3.11Å; N475-D477 PolarHBondContact OD1-N 3.47Å; N475-C478 HydrophobicContact CB-CB 4.36Å; N475-C478 PolarHBondContact O-N 3.25Å; N475-C478 VanDerWaalsContact O-N 3.07Å; N475-C478 VanDerWaalsContact O-O 3.12Å; N475-S481 PolarHBondContact N-OG 3.08Å; N475-S481 PolarHBondContact O-OG 2.96Å
476	P	92.1	Very high	91.9	Very high	87 Å²	87	66 Å²	66	57%	0.565	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-13.6	-174	29.3	-36.6	0	0	0	113.9	R356	R356-P476 PolarHBondContact NE-O 3.47Å
477	D	94.2	Very high	91.5	Very high	22 Å²	22	69.4 Å²	69.4	12%	0.118	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-0.8	178.2	-68	-18.2	0	0	0	112.7	G355 R356 I387 V390 N475	G355-D477 CarbonylContact C-O 3.57Å; G355-D477 VanDerWaalsContact CA-O 3.25Å; G355-D477 WeakPolarHBondContact CA-O 3.45Å; R356-D477 IonicContact CZ-OD1 3.08Å; R356-D477 VanDerWaalsContact CZ-OD1 3.31Å; R356-D477 PolarHBondContact N-O 2.97Å; R356-D477 IonicContact NE-OD1 3.62Å; R356-D477 PolarHBondContact NE-OD1 2.93Å; R356-D477 VanDerWaalsContact NE-OD1 3.08Å; R356-D477 IonicContact NH2-OD1 2.59Å; R356-D477 PolarHBondContact NH2-OD1 2.67Å; I387-D477 HydrophobicContact CG2-CB 4.02Å; V390-D477 HydrophobicContact CG2-CB 4.19Å; V390-D477 WeakPolarHBondContact CG2-OD1 3.33Å; V390-D477 PolarHBondContact N-OD2 2.8Å; N475-D477 PolarHBondContact O-N 2.83Å; N475-D477 VanDerWaalsContact O-N 3.11Å; N475-D477 PolarHBondContact OD1-N 3.47Å
478	C	95.9	Very high	91.2	Very high	3 Å²	3	71.8 Å²	71.8	2%	0.02	36%	0.36	C	S	.	.			trans	-128.2	113.6	178.2	172.7	0	0	0	0	111.6	C354 I387 L472 N475 L480 S481	C354-C478 HydrophobicContact CB-CB 3.89Å; C354-C478 WeakPolarHBondContact CB-SG 3.42Å; C354-C478 VanDerWaalsContact SG-C 3.58Å; C354-C478 WeakPolarHBondContact SG-CA 3.47Å; C354-C478 WeakPolarHBondContact SG-CB 3.12Å; C354-C478 CovalentContact SG-SG 2.03Å; C354-C478 PolarHBondContact SG-SG 3.28Å; I387-C478 HydrophobicContact CD1-CB 3.68Å; I387-C478 HydrophobicContact CG1-CB 4.01Å; I387-C478 HydrophobicContact CG2-CB 4.4Å; L472-C478 HydrophobicContact CD1-CB 4.49Å; N475-C478 HydrophobicContact CB-CB 4.36Å; N475-C478 PolarHBondContact O-N 3.25Å; N475-C478 VanDerWaalsContact O-N 3.07Å; N475-C478 VanDerWaalsContact O-O 3.12Å; C478-L480 PolarHBondContact O-N 3.4Å; C478-S481 WeakPolarHBondContact O-CB 3.44Å; C478-S481 PolarHBondContact O-N 3.39Å; C478-S481 PolarHBondContact O-OG 3.32Å
479	A	95.8	Very high	90.9	Very high	31 Å²	31	72.5 Å²	72.5	26%	0.256	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-15.1	179.8	0	0	0	0	0	114.6	G355 R356 S358 S481	G355-A479 WeakPolarHBondContact O-CB 3.25Å; G355-A479 PolarHBondContact O-N 2.93Å; R356-A479 WeakPolarHBondContact O-CB 3.37Å; S358-A479 WeakPolarHBondContact O-CB 3.26Å; A479-S481 VanDerWaalsContact C-N 3.3Å
480	L	95.8	Very high	90.6	Very high	3 Å²	3	76.2 Å²	76.2	2%	0.016	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-7.3	173.3	-79.4	64.8	0	0	0	112.2	M362 L363 L366 L385 C478	M362-L480 HydrophobicContact CB-CD2 4.3Å; M362-L480 HydrophobicContact CE-CD1 4.13Å; M362-L480 HydrophobicContact CE-CD2 3.66Å; L363-L480 HydrophobicContact CB-CB 4.45Å; L363-L480 HydrophobicContact CB-CD2 4.11Å; L363-L480 HydrophobicContact CB-CG 4.08Å; L363-L480 HydrophobicContact CD1-CB 4.49Å; L363-L480 HydrophobicContact CD1-CD2 4.38Å; L363-L480 WeakPolarHBondContact CD2-O 3.44Å; L366-L480 HydrophobicContact CD1-CD2 4.01Å; L385-L480 HydrophobicContact CD1-CB 4.16Å; L385-L480 HydrophobicContact CD1-CD2 4.25Å; L385-L480 HydrophobicContact CD2-CD2 4.16Å; C478-L480 PolarHBondContact O-N 3.4Å
481	S	91.9	Very high	90.7	Very high	17 Å²	17	66.2 Å²	66.2	12%	0.119	35%	0.353	C	S	.	.	S	Bend	trans	-69.3	143.3	177.5	75.1	0	0	0	0	111.2	G473 N475 C478 A479 R483	G473-S481 WeakPolarHBondContact O-CB 3.4Å; N475-S481 PolarHBondContact N-OG 3.08Å; N475-S481 PolarHBondContact O-OG 2.96Å; C478-S481 WeakPolarHBondContact O-CB 3.44Å; C478-S481 PolarHBondContact O-N 3.39Å; C478-S481 PolarHBondContact O-OG 3.32Å; A479-S481 VanDerWaalsContact C-N 3.3Å; S481-R483 PolarHBondContact O-N 3.3Å
482	P	81.8	Confident	90.5	Very high	82 Å²	82	63.9 Å²	63.9	53%	0.532	34%	0.341	S	S	.	.			trans	-51.2	134.3	168	-26.4	33.6	0	0	0	111.2	G473 H474	G473-P482 WeakPolarHBondContact O-CD 3.45Å; H474-P482 PolarHBondContact ND1-O 3.02Å
483	R	72.9	Confident	90.6	Very high	292 Å²	292	68.5 Å²	68.5	100%	1.102	37%	0.365	S	S	*	.			trans	-70.3	0	176.7	-70.5	-171.9	-177.2	-173.5	0.7	111.9	S481	S481-R483 PolarHBondContact O-N 3.3Å

Retrieved 483 of 483 residues in 247.4 ms (Link to these results)

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