A0A077Z4W0_TRITR Loading...

Propionyl-CoA carboxylase beta chain, mitochondrial

AlphaFold DB , UniProt , Accession A0A077Z4W0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 540 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	38.1	Very low	41.9	Very low	231 Å²	231	151.3 Å²	151.3	100%	1.138	79%	0.79	S	S	*	*				0	107.2	0	-79.4	154	58.9	0	0	106.7
2	V	38.5	Very low	42.3	Very low	122 Å²	122	147.2 Å²	147.2	74%	0.739	78%	0.783	S	S	*	*			cis	98.1	113.5	43.8	169.4	0	0	0	0	111.3
3	L	37.5	Very low	42.6	Very low	131 Å²	131	144.2 Å²	144.2	69%	0.686	78%	0.777	S	S	*	*			trans	61	156	161	-85.9	37.1	0	0	0	118
4	F	41	Very low	42.6	Very low	160 Å²	160	141.5 Å²	141.5	70%	0.702	78%	0.775	S	S	*	*			cis	-121.7	163.2	-1.9	-83.8	-75	0	0	0	109.4
5	E	42.9	Very low	42.5	Very low	144 Å²	144	143.4 Å²	143.4	67%	0.673	78%	0.783	S	S	*	*				73.6	134.2	54.1	-126.3	-175	-115.5	0	0	112
6	L	43.5	Very low	42.5	Very low	151 Å²	151	140.8 Å²	140.8	79%	0.791	79%	0.786	S	S	*	*			cis	-151.6	165.6	38.2	-82.5	148.9	0	0	0	114.5
7	L	37.7	Very low	42.4	Very low	160 Å²	160	139 Å²	139	84%	0.838	79%	0.785	S	S	*	*			trans	-113.7	-163.1	176.7	-86.4	164.8	0	0	0	109.5
8	P	50.3	Low	42.1	Very low	95 Å²	95	137.9 Å²	137.9	62%	0.617	79%	0.788	S	S	*	*			cis	-135.5	-160.5	-45.3	30.2	-7.7	0	0	0	113.5
9	R	43	Very low	42.2	Very low	237 Å²	237	139 Å²	139	89%	0.894	79%	0.79	S	S	*	*			trans	87.8	146.5	159.2	-60.5	171.3	-179.7	-173.2	-0.1	116.6
10	A	46.1	Very low	42.2	Very low	89 Å²	89	144.1 Å²	144.1	74%	0.736	80%	0.796	S	S	*	*			cis	-158	168.7	-18.9	0	0	0	0	0	106.2
11	V	42.8	Very low	42.4	Very low	144 Å²	144	144.9 Å²	144.9	87%	0.873	80%	0.798	S	S	*	*				-169.2	160.6	59.5	169.9	0	0	0	0	108.6
12	S	45.8	Very low	42.8	Very low	102 Å²	102	138.2 Å²	138.2	71%	0.713	78%	0.78	S	S	*	*			trans	-102.9	-166.7	-172.1	57.9	0	0	0	0	113.5
13	P	46.5	Very low	43	Very low	108 Å²	108	141.8 Å²	141.8	70%	0.701	79%	0.786	S	S	*	*			cis	-134.7	-165.3	-45.6	31.4	-10.6	0	0	0	113.9
14	S	42.3	Very low	43.7	Very low	107 Å²	107	140.6 Å²	140.6	75%	0.748	78%	0.784	S	S	*	*			trans	83.6	145.3	165.1	82.9	0	0	0	0	116.4
15	L	42.2	Very low	43.9	Very low	170 Å²	170	136.3 Å²	136.3	89%	0.89	77%	0.772	S	S	*	*			cis	-131.4	174.7	7.1	-104.9	114.5	0	0	0	112.5
16	A	41.3	Very low	44.4	Very low	101 Å²	101	133.2 Å²	133.2	84%	0.835	77%	0.771	S	S	*	*			trans	-74.3	144.5	-169.8	0	0	0	0	0	116.6
17	S	41.4	Very low	44.7	Very low	111 Å²	111	135.9 Å²	135.9	78%	0.776	77%	0.77	S	S	*	*				-158.2	142.2	126.9	66.3	0	0	0	0	110.9
18	S	37.3	Very low	45.2	Very low	119 Å²	119	133 Å²	133	83%	0.832	76%	0.755	S	S	*	*			trans	-90.8	104.2	-173	55.6	0	0	0	0	112.4
19	L	44.4	Very low	45.1	Very low	159 Å²	159	136.1 Å²	136.1	83%	0.832	76%	0.762	S	S	*	*			trans	-97.3	112.8	164.1	-94.1	155.1	0	0	0	109.4	L21	L19-L21 PolarHBondContact O-N 3.35Å
20	R	41.8	Very low	46.1	Very low	240 Å²	240	128.3 Å²	128.3	91%	0.906	74%	0.744	S	S	*	*			trans	-62.2	125.6	178.1	-68.5	178.5	174	-171	-2.7	109.4	A22	R20-A22 PolarHBondContact O-N 3.03Å
21	L	45.3	Very low	47.5	Very low	162 Å²	162	127.5 Å²	127.5	85%	0.848	73%	0.73	S	S	*	*			trans	-55.9	126.4	160.8	-94	80.3	0	0	0	108.1	L19 F23	L19-L21 PolarHBondContact O-N 3.35Å; L21-F23 PolarHBondContact O-N 3.23Å
22	A	46.4	Very low	49.3	Very low	91 Å²	91	126 Å²	126	75%	0.752	72%	0.715	S	S	*	*			trans	-66.5	106	174.4	0	0	0	0	0	109.1	R20 V24	R20-A22 PolarHBondContact O-N 3.03Å; A22-V24 VanDerWaalsContact C-N 3.3Å; A22-V24 PolarHBondContact O-N 2.89Å
23	F	44	Very low	51.2	Low	197 Å²	197	123 Å²	123	86%	0.864	70%	0.701	S	S	*	*			trans	-60.5	95.7	161.9	-108.9	-97.7	0	0	0	107.9	L21 P25	L21-F23 PolarHBondContact O-N 3.23Å; F23-P25 WeakPolarHBondContact O-CD 3.33Å
24	V	51.6	Low	53.2	Low	106 Å²	106	122.4 Å²	122.4	64%	0.642	69%	0.692	S	S	*	*			trans	-64.4	116.6	160.4	179.1	0	0	0	0	105.6	A22 A26 L28	A22-V24 VanDerWaalsContact C-N 3.3Å; A22-V24 PolarHBondContact O-N 2.89Å; V24-A26 PolarHBondContact O-N 2.93Å; V24-L28 HydrophobicContact CG1-CD1 4.38Å
25	P	45.3	Very low	55.5	Low	70 Å²	70	121.7 Å²	121.7	46%	0.455	68%	0.683	S	S	.	*			trans	-68.1	130.1	-173.9	26.7	-33.5	0	0	0	109.4	F23 R27 L28	F23-P25 WeakPolarHBondContact O-CD 3.33Å; P25-R27 PolarHBondContact O-N 3.17Å; P25-L28 HydrophobicContact CG-CD1 4.16Å; P25-L28 PolarHBondContact O-N 3.33Å
26	A	53.1	Low	57.9	Low	78 Å²	78	118.9 Å²	118.9	65%	0.645	67%	0.668	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.5	-19.8	-179.2	0	0	0	0	0	114.2	V24 L28 Q29 S30	V24-A26 PolarHBondContact O-N 2.93Å; A26-L28 PolarHBondContact O-N 2.9Å; A26-Q29 PolarHBondContact O-N 3.26Å; A26-S30 PolarHBondContact O-N 3.27Å
27	R	49.7	Very low	60.3	Low	207 Å²	207	120.2 Å²	120.2	78%	0.781	66%	0.657	S	S	*	*	H	α-helix	trans	-52	-36.6	170	-74.2	-173.2	172.6	-167.1	-2.6	113.7	P25 S30 T31	P25-R27 PolarHBondContact O-N 3.17Å; R27-S30 WeakPolarHBondContact CA-OG 3.46Å; R27-S30 PolarHBondContact O-N 3.1Å; R27-S30 PolarHBondContact O-OG 3.4Å; R27-T31 PolarHBondContact O-N 2.76Å; R27-T31 VanDerWaalsContact O-N 3.1Å; R27-T31 PolarHBondContact O-OG1 2.85Å
28	L	47.7	Very low	62.8	Low	99 Å²	99	117.9 Å²	117.9	52%	0.518	64%	0.635	S	S	.	*	H	α-helix	trans	-70.1	-33.3	-178.2	-90.4	158.5	0	0	0	113.5	V24 P25 A26 T31	V24-L28 HydrophobicContact CG1-CD1 4.38Å; P25-L28 HydrophobicContact CG-CD1 4.16Å; P25-L28 PolarHBondContact O-N 3.33Å; A26-L28 PolarHBondContact O-N 2.9Å; L28-T31 WeakPolarHBondContact CA-OG1 3.38Å; L28-T31 PolarHBondContact O-OG1 3.26Å
29	Q	49.4	Very low	65.5	Low	162 Å²	162	119.3 Å²	119.3	76%	0.757	63%	0.626	S	S	*	*	H	α-helix	trans	-75	-37.1	174.2	-76.3	-179	-33.6	0	0	111.5	A26 T31 G33	A26-Q29 PolarHBondContact O-N 3.26Å; Q29-T31 VanDerWaalsContact C-N 3.33Å; Q29-T31 PolarHBondContact O-N 2.98Å; Q29-G33 PolarHBondContact O-N 3.17Å
30	S	63.5	Low	67.9	Low	73 Å²	73	115.4 Å²	115.4	51%	0.51	61%	0.606	S	S	.	*	H	α-helix	trans	-64.3	-34	174.9	58.8	0	0	0	0	113.5	A26 R27 L34	A26-S30 PolarHBondContact O-N 3.27Å; R27-S30 WeakPolarHBondContact CA-OG 3.46Å; R27-S30 PolarHBondContact O-N 3.1Å; R27-S30 PolarHBondContact O-OG 3.4Å; S30-L34 VanDerWaalsContact O-CB 3.3Å; S30-L34 WeakPolarHBondContact O-CB 3.3Å; S30-L34 PolarHBondContact O-N 2.91Å; S30-L34 VanDerWaalsContact O-N 3.17Å
31	T	74.8	Confident	70.3	Confident	72 Å²	72	111.6 Å²	111.6	44%	0.442	59%	0.592	S	S	.	*	H	α-helix	trans	-68.5	-42.7	-179.9	40.7	0	0	0	0	112.8	R27 L28 Q29 T35	R27-T31 PolarHBondContact O-N 2.76Å; R27-T31 VanDerWaalsContact O-N 3.1Å; R27-T31 PolarHBondContact O-OG1 2.85Å; L28-T31 WeakPolarHBondContact CA-OG1 3.38Å; L28-T31 PolarHBondContact O-OG1 3.26Å; Q29-T31 VanDerWaalsContact C-N 3.33Å; Q29-T31 PolarHBondContact O-N 2.98Å; T31-T35 WeakPolarHBondContact O-CB 3.46Å; T31-T35 PolarHBondContact O-N 3.36Å; T31-T35 PolarHBondContact O-OG1 3.42Å
32	I	82.4	Confident	72.7	Confident	111 Å²	111	107.5 Å²	107.5	57%	0.569	57%	0.57	S	S	*	*	H	α-helix	trans	-69	-43.7	-178.4	-61.9	173.6	0	0	0	110.9	L34 T35 L36	I32-L34 PolarHBondContact O-N 3.02Å; I32-T35 PolarHBondContact O-N 3.24Å; I32-L36 HydrophobicContact CG2-CD1 4.23Å; I32-L36 WeakPolarHBondContact O-CG 3.23Å; I32-L36 PolarHBondContact O-N 3.5Å
33	G	84.5	Confident	75.1	Confident	41 Å²	41	107.4 Å²	107.4	42%	0.423	55%	0.554	S	S	.	*	H	α-helix	trans	-58.6	-48.9	177	0	0	0	0	0	112.2	Q29 T35 L36 E37	Q29-G33 PolarHBondContact O-N 3.17Å; G33-T35 VanDerWaalsContact C-N 3.33Å; G33-T35 PolarHBondContact O-N 2.91Å; G33-L36 PolarHBondContact O-N 3.47Å; G33-E37 PolarHBondContact O-N 3.22Å
34	L	88.5	Confident	77.5	Confident	95 Å²	95	103.7 Å²	103.7	50%	0.497	54%	0.537	S	S	.	.	H	α-helix	trans	-61.5	-38.8	176.4	-177.7	60.7	0	0	0	112.4	S30 I32 E37 I38	S30-L34 VanDerWaalsContact O-CB 3.3Å; S30-L34 WeakPolarHBondContact O-CB 3.3Å; S30-L34 PolarHBondContact O-N 2.91Å; S30-L34 VanDerWaalsContact O-N 3.17Å; I32-L34 PolarHBondContact O-N 3.02Å; L34-E37 PolarHBondContact O-N 3.02Å; L34-I38 HydrophobicContact CD1-CD1 3.95Å; L34-I38 HydrophobicContact CD1-CG1 4.2Å; L34-I38 HydrophobicContact CG-CD1 3.81Å; L34-I38 HydrophobicContact CG-CG1 4.45Å; L34-I38 WeakPolarHBondContact O-CB 3.34Å; L34-I38 VanDerWaalsContact O-CG1 3.23Å; L34-I38 WeakPolarHBondContact O-CG1 3.4Å; L34-I38 PolarHBondContact O-N 3.41Å
35	T	91.6	Very high	79.5	Confident	92 Å²	92	100.6 Å²	100.6	56%	0.564	52%	0.519	S	S	*	.	H	α-helix	trans	-63.4	-40.5	175.8	-61.9	0	0	0	0	112.3	T31 I32 G33 K39	T31-T35 WeakPolarHBondContact O-CB 3.46Å; T31-T35 PolarHBondContact O-N 3.36Å; T31-T35 PolarHBondContact O-OG1 3.42Å; I32-T35 PolarHBondContact O-N 3.24Å; G33-T35 VanDerWaalsContact C-N 3.33Å; G33-T35 PolarHBondContact O-N 2.91Å; T35-K39 WeakPolarHBondContact O-CB 3.45Å; T35-K39 PolarHBondContact O-N 3.35Å
36	L	92.4	Very high	81.9	Confident	110 Å²	110	103.3 Å²	103.3	58%	0.576	52%	0.52	S	S	*	.	H	α-helix	trans	-68	-42.7	177.3	-69.1	172	0	0	0	111.9	I32 G33 K39 D40	I32-L36 HydrophobicContact CG2-CD1 4.23Å; I32-L36 WeakPolarHBondContact O-CG 3.23Å; I32-L36 PolarHBondContact O-N 3.5Å; G33-L36 PolarHBondContact O-N 3.47Å; L36-K39 WeakPolarHBondContact O-CB 3.5Å; L36-K39 PolarHBondContact O-N 2.92Å; L36-D40 PolarHBondContact O-N 2.99Å
37	E	91.1	Very high	83.9	Confident	130 Å²	130	104 Å²	104	61%	0.607	51%	0.51	S	S	*	.	H	α-helix	trans	-62.8	-43.5	175.2	-171.3	-174.1	175.6	0	0	111.7	G33 L34 K39 D40 R41	G33-E37 PolarHBondContact O-N 3.22Å; L34-E37 PolarHBondContact O-N 3.02Å; E37-K39 VanDerWaalsContact C-N 3.33Å; E37-K39 PolarHBondContact O-N 3.4Å; E37-D40 PolarHBondContact O-N 2.96Å; E37-R41 WeakPolarHBondContact O-CB 3.41Å; E37-R41 PolarHBondContact O-N 3.25Å
38	I	93.4	Very high	86	Confident	62 Å²	62	100.6 Å²	100.6	32%	0.318	50%	0.501	S	S	.	.	H	α-helix	trans	-62.1	-40.6	174.4	-72.8	170	0	0	0	110.9	L34 R41 I42	L34-I38 HydrophobicContact CD1-CD1 3.95Å; L34-I38 HydrophobicContact CD1-CG1 4.2Å; L34-I38 HydrophobicContact CG-CD1 3.81Å; L34-I38 HydrophobicContact CG-CG1 4.45Å; L34-I38 WeakPolarHBondContact O-CB 3.34Å; L34-I38 VanDerWaalsContact O-CG1 3.23Å; L34-I38 WeakPolarHBondContact O-CG1 3.4Å; L34-I38 PolarHBondContact O-N 3.41Å; I38-R41 PolarHBondContact O-N 3.45Å; I38-I42 HydrophobicContact CG2-CD1 3.71Å; I38-I42 HydrophobicContact CG2-CG1 4.33Å; I38-I42 VanDerWaalsContact O-CG1 3.25Å; I38-I42 WeakPolarHBondContact O-CG1 3.25Å; I38-I42 PolarHBondContact O-N 2.87Å
39	K	94.5	Very high	88.3	Confident	148 Å²	148	96.1 Å²	96.1	64%	0.643	48%	0.478	S	S	*	.	H	α-helix	trans	-62.4	-47.5	177.3	-176.1	-177.3	176.6	-175.8	0	111.8	T35 L36 E37 R41 I42 E43	T35-K39 WeakPolarHBondContact O-CB 3.45Å; T35-K39 PolarHBondContact O-N 3.35Å; L36-K39 WeakPolarHBondContact O-CB 3.5Å; L36-K39 PolarHBondContact O-N 2.92Å; E37-K39 VanDerWaalsContact C-N 3.33Å; E37-K39 PolarHBondContact O-N 3.4Å; K39-R41 VanDerWaalsContact C-N 3.34Å; K39-R41 PolarHBondContact O-N 3.05Å; K39-I42 PolarHBondContact O-N 3.35Å; K39-E43 PolarHBondContact O-N 2.67Å
40	D	94.4	Very high	90.5	Very high	77 Å²	77	92.1 Å²	92.1	41%	0.412	46%	0.461	S	S	.	.	H	α-helix	trans	-60.8	-41.5	175.3	170.5	73	0	0	0	111.8	L36 E37 E43 K44	L36-D40 PolarHBondContact O-N 2.99Å; E37-D40 PolarHBondContact O-N 2.96Å; D40-E43 PolarHBondContact O-N 3.01Å; D40-K44 WeakPolarHBondContact O-CB 3.48Å; D40-K44 WeakPolarHBondContact O-CG 3.43Å; D40-K44 PolarHBondContact O-N 3.28Å; D40-K44 WeakPolarHBondContact OD1-CE 3.39Å; D40-K44 IonicContact OD1-NZ 3.01Å; D40-K44 PolarHBondContact OD1-NZ 3.1Å; D40-K44 WeakPolarHBondContact OD2-CD 3.5Å; D40-K44 WeakPolarHBondContact OD2-CE 3.34Å; D40-K44 IonicContact OD2-NZ 2.67Å; D40-K44 PolarHBondContact OD2-NZ 3.33Å
41	R	93.7	Very high	92	Very high	160 Å²	160	92.5 Å²	92.5	60%	0.604	46%	0.457	S	S	*	.	H	α-helix	trans	-63.7	-41.4	174.6	-169.8	176.2	69.9	-175.7	2.1	112.7	E37 I38 K39 T45	E37-R41 WeakPolarHBondContact O-CB 3.41Å; E37-R41 PolarHBondContact O-N 3.25Å; I38-R41 PolarHBondContact O-N 3.45Å; K39-R41 VanDerWaalsContact C-N 3.34Å; K39-R41 PolarHBondContact O-N 3.05Å; R41-T45 WeakPolarHBondContact O-CB 3.37Å; R41-T45 PolarHBondContact O-N 2.98Å; R41-T45 PolarHBondContact O-OG1 3.49Å; R41-T45 VanDerWaalsContact O-OG1 3.05Å
42	I	95.6	Very high	93	Very high	76 Å²	76	89.5 Å²	89.5	39%	0.39	44%	0.44	S	S	.	.	H	α-helix	trans	-60.6	-46.3	175.6	-73.2	164.1	0	0	0	110.2	I38 K39 T45 R46 F88	I38-I42 HydrophobicContact CG2-CD1 3.71Å; I38-I42 HydrophobicContact CG2-CG1 4.33Å; I38-I42 VanDerWaalsContact O-CG1 3.25Å; I38-I42 WeakPolarHBondContact O-CG1 3.25Å; I38-I42 PolarHBondContact O-N 2.87Å; K39-I42 PolarHBondContact O-N 3.35Å; I42-T45 PolarHBondContact O-N 3.02Å; I42-R46 WeakPolarHBondContact O-CB 3.34Å; I42-R46 PolarHBondContact O-N 2.92Å; I42-F88 HydrophobicContact CG2-CE2 4.45Å; I42-F88 HydrophobicContact CG2-CZ 4.18Å
43	E	95.4	Very high	93.7	Very high	89 Å²	89	84.9 Å²	84.9	42%	0.416	42%	0.42	S	S	.	.	H	α-helix	trans	-65.5	-46.4	-179.6	-168.3	52.6	-134.5	0	0	111.3	K39 D40 T45 R46 Q47	K39-E43 PolarHBondContact O-N 2.67Å; D40-E43 PolarHBondContact O-N 3.01Å; E43-T45 VanDerWaalsContact C-N 3.32Å; E43-T45 PolarHBondContact O-N 3.09Å; E43-R46 WeakPolarHBondContact O-CB 3.43Å; E43-R46 PolarHBondContact O-N 2.78Å; E43-R46 VanDerWaalsContact O-N 3.1Å; E43-Q47 WeakPolarHBondContact O-CG 3.28Å; E43-Q47 PolarHBondContact O-N 2.79Å; E43-Q47 PolarHBondContact OE1-NE2 2.9Å
44	K	94.9	Very high	94.2	Very high	119 Å²	119	83.8 Å²	83.8	52%	0.517	41%	0.409	S	S	.	.	H	α-helix	trans	-58.6	-40.2	175.4	-75.4	169.8	177.3	163.7	0	112.9	D40 K48	D40-K44 WeakPolarHBondContact O-CB 3.48Å; D40-K44 WeakPolarHBondContact O-CG 3.43Å; D40-K44 PolarHBondContact O-N 3.28Å; D40-K44 WeakPolarHBondContact OD1-CE 3.39Å; D40-K44 IonicContact OD1-NZ 3.01Å; D40-K44 PolarHBondContact OD1-NZ 3.1Å; D40-K44 WeakPolarHBondContact OD2-CD 3.5Å; D40-K44 WeakPolarHBondContact OD2-CE 3.34Å; D40-K44 IonicContact OD2-NZ 2.67Å; D40-K44 PolarHBondContact OD2-NZ 3.33Å; K44-K48 WeakPolarHBondContact O-CG 3.06Å; K44-K48 PolarHBondContact O-N 3.39Å; K44-K48 VanDerWaalsContact O-N 3.09Å
45	T	94.2	Very high	94.6	Very high	42 Å²	42	83.5 Å²	83.5	26%	0.258	41%	0.413	S	S	.	.	H	α-helix	trans	-71.5	-34.4	175.8	-57.9	0	0	0	0	111.9	R41 I42 E43 K48 S49 F88 P104	R41-T45 WeakPolarHBondContact O-CB 3.37Å; R41-T45 PolarHBondContact O-N 2.98Å; R41-T45 PolarHBondContact O-OG1 3.49Å; R41-T45 VanDerWaalsContact O-OG1 3.05Å; I42-T45 PolarHBondContact O-N 3.02Å; E43-T45 VanDerWaalsContact C-N 3.32Å; E43-T45 PolarHBondContact O-N 3.09Å; T45-K48 PolarHBondContact O-N 2.87Å; T45-S49 WeakPolarHBondContact O-CB 3.48Å; T45-S49 PolarHBondContact O-N 2.91Å; T45-F88 HydrophobicContact CG2-CD1 3.62Å; T45-F88 HydrophobicContact CG2-CE1 3.97Å; T45-F88 HydrophobicContact CG2-CG 4.31Å; T45-P104 HydrophobicContact CG2-CB 4.25Å; T45-P104 HydrophobicContact CG2-CG 3.92Å
46	R	95.6	Very high	94.9	Very high	127 Å²	127	88 Å²	88	48%	0.479	43%	0.425	S	S	.	.	H	α-helix	trans	-63.1	-49	173.1	-173.7	179.8	-68.5	-100.6	-0.6	111.4	I42 E43 K48 S49 L50 F88	I42-R46 WeakPolarHBondContact O-CB 3.34Å; I42-R46 PolarHBondContact O-N 2.92Å; E43-R46 WeakPolarHBondContact O-CB 3.43Å; E43-R46 PolarHBondContact O-N 2.78Å; E43-R46 VanDerWaalsContact O-N 3.1Å; R46-K48 VanDerWaalsContact C-N 3.3Å; R46-K48 PolarHBondContact O-N 3.11Å; R46-S49 WeakPolarHBondContact O-CB 3.49Å; R46-S49 PolarHBondContact O-N 3.45Å; R46-S49 VanDerWaalsContact O-N 3.08Å; R46-L50 HydrophobicContact CG-CD1 4.32Å; R46-L50 WeakPolarHBondContact O-CG 3.09Å; R46-L50 PolarHBondContact O-N 2.78Å; R46-F88 HydrophobicContact CB-CE1 4.06Å; R46-F88 HydrophobicContact CB-CZ 4.27Å
47	Q	95	Very high	95.2	Very high	91 Å²	91	88.4 Å²	88.4	43%	0.425	42%	0.419	S	S	.	.	H	α-helix	trans	-60.5	-38.1	175.8	-63.4	-57.3	-33.1	0	0	112.3	E43 L50 L51	E43-Q47 WeakPolarHBondContact O-CG 3.28Å; E43-Q47 PolarHBondContact O-N 2.79Å; E43-Q47 PolarHBondContact OE1-NE2 2.9Å; Q47-L50 PolarHBondContact O-N 3.3Å; Q47-L51 WeakPolarHBondContact O-CG 3.4Å; Q47-L51 PolarHBondContact O-N 2.69Å; Q47-L51 VanDerWaalsContact O-N 3.11Å
48	K	94.1	Very high	95.5	Very high	137 Å²	137	83.9 Å²	83.9	60%	0.596	40%	0.398	S	S	*	.	H	α-helix	trans	-63.4	-41.1	171.6	-74.7	177.2	178.2	-173.5	0	113.3	K44 T45 R46 L50 L51 G52 P104	K44-K48 WeakPolarHBondContact O-CG 3.06Å; K44-K48 PolarHBondContact O-N 3.39Å; K44-K48 VanDerWaalsContact O-N 3.09Å; T45-K48 PolarHBondContact O-N 2.87Å; R46-K48 VanDerWaalsContact C-N 3.3Å; R46-K48 PolarHBondContact O-N 3.11Å; K48-L50 VanDerWaalsContact C-N 3.35Å; K48-L51 PolarHBondContact O-N 3.01Å; K48-G52 PolarHBondContact O-N 3.24Å; K48-P104 HydrophobicContact CB-CG 4.45Å
49	S	94.9	Very high	95.7	Very high	4 Å²	4	85.7 Å²	85.7	3%	0.028	41%	0.406	C	S	.	.	H	α-helix	trans	-66.8	-34	176.8	-172.2	0	0	0	0	112.9	T45 R46 R70 A87	T45-S49 WeakPolarHBondContact O-CB 3.48Å; T45-S49 PolarHBondContact O-N 2.91Å; R46-S49 WeakPolarHBondContact O-CB 3.49Å; R46-S49 PolarHBondContact O-N 3.45Å; R46-S49 VanDerWaalsContact O-N 3.08Å; S49-R70 PolarHBondContact O-NE 3.17Å; S49-R70 PolarHBondContact O-NH2 3.37Å; S49-R70 PolarHBondContact OG-NH2 3.14Å; S49-A87 WeakPolarHBondContact CB-O 3.39Å; S49-A87 PolarHBondContact OG-O 2.82Å
50	L	95.7	Very high	95.9	Very high	78 Å²	78	80.7 Å²	80.7	41%	0.408	39%	0.392	S	S	.	.	H	α-helix	trans	-69.4	-37.6	174.8	-69.4	172.1	0	0	0	112.2	R46 Q47 K48 G52	R46-L50 HydrophobicContact CG-CD1 4.32Å; R46-L50 WeakPolarHBondContact O-CG 3.09Å; R46-L50 PolarHBondContact O-N 2.78Å; Q47-L50 PolarHBondContact O-N 3.3Å; K48-L50 VanDerWaalsContact C-N 3.35Å; L50-G52 VanDerWaalsContact C-N 3.34Å; L50-G52 PolarHBondContact O-N 3.4Å
51	L	96	Very high	96	Very high	81 Å²	81	77.3 Å²	77.3	42%	0.424	37%	0.373	S	S	.	.	H	α-helix	trans	-78	-10.3	179.9	-71.8	172.1	0	0	0	114.9	Q47 K48 G53 G54 P55 I58	Q47-L51 WeakPolarHBondContact O-CG 3.4Å; Q47-L51 PolarHBondContact O-N 2.69Å; Q47-L51 VanDerWaalsContact O-N 3.11Å; K48-L51 PolarHBondContact O-N 3.01Å; L51-G53 PolarHBondContact O-N 2.8Å; L51-G54 WeakPolarHBondContact O-CA 3.42Å; L51-G54 PolarHBondContact O-N 3.23Å; L51-P55 HydrophobicContact CD2-CG 4.35Å; L51-I58 WeakPolarHBondContact O-CD1 3.24Å
52	G	96.1	Very high	96.2	Very high	9 Å²	9	72.8 Å²	72.8	9%	0.093	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	52	-122.3	178.8	0	0	0	0	0	112.8	K48 L50 G54 F103 D126 V129	K48-G52 PolarHBondContact O-N 3.24Å; L50-G52 VanDerWaalsContact C-N 3.34Å; L50-G52 PolarHBondContact O-N 3.4Å; G52-G54 PolarHBondContact O-N 3.21Å; G52-F103 VanDerWaalsContact O-CD1 3.27Å; G52-F103 WeakPolarHBondContact O-CD1 3.43Å; G52-D126 WeakPolarHBondContact CA-OD2 3.42Å; G52-V129 VanDerWaalsContact C-CG2 3.47Å
53	G	95.6	Very high	96.3	Very high	14 Å²	14	76 Å²	76	14%	0.144	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-0.3	176.4	0	0	0	0	0	115.8	L51 R57 T128 V129	L51-G53 PolarHBondContact O-N 2.8Å; G53-R57 WeakPolarHBondContact O-CD 3.41Å; G53-T128 WeakPolarHBondContact CA-O 3.43Å; G53-T128 WeakPolarHBondContact CA-OG1 3.19Å; G53-T128 PolarHBondContact N-OG1 3.11Å; G53-V129 VanDerWaalsContact N-CG2 3.33Å
54	G	96.6	Very high	96.4	Very high	19 Å²	19	77.8 Å²	77.8	20%	0.196	38%	0.379	C	S	.	.			trans	92.7	162.3	176.9	0	0	0	0	0	114.6	L51 G52 K56 R57 I58	L51-G54 WeakPolarHBondContact O-CA 3.42Å; L51-G54 PolarHBondContact O-N 3.23Å; G52-G54 PolarHBondContact O-N 3.21Å; G54-K56 VanDerWaalsContact C-N 3.31Å; G54-K56 PolarHBondContact O-N 2.73Å; G54-K56 VanDerWaalsContact O-N 3.1Å; G54-R57 PolarHBondContact O-N 2.7Å; G54-I58 PolarHBondContact O-N 3.08Å
55	P	97	Very high	96.5	Very high	89 Å²	89	74.8 Å²	74.8	58%	0.578	38%	0.382	S	S	*	.	H	α-helix	trans	-53.8	-39.2	-168.3	-29.5	35.5	0	0	0	115.2	L51 R57 I58 E59	L51-P55 HydrophobicContact CD2-CG 4.35Å; P55-R57 VanDerWaalsContact C-N 3.25Å; P55-R57 PolarHBondContact O-N 3.33Å; P55-I58 PolarHBondContact O-N 3.34Å; P55-E59 WeakPolarHBondContact O-CB 3.36Å; P55-E59 PolarHBondContact O-N 3.32Å
56	K	97.5	Very high	96.7	Very high	187 Å²	187	73.3 Å²	73.3	81%	0.813	37%	0.372	S	S	*	.	H	α-helix	trans	-61.8	-30.9	178.1	-176.9	175.2	179.5	178.4	0	113.1	G54 A60	G54-K56 VanDerWaalsContact C-N 3.31Å; G54-K56 PolarHBondContact O-N 2.73Å; G54-K56 VanDerWaalsContact O-N 3.1Å; K56-A60 WeakPolarHBondContact O-CB 3.41Å; K56-A60 PolarHBondContact O-N 3.41Å
57	R	97.6	Very high	96.8	Very high	118 Å²	118	68.9 Å²	68.9	45%	0.445	36%	0.357	S	S	.	.	H	α-helix	trans	-85.3	-31.2	178.3	-65.6	-169.4	178.8	178.4	0.8	112.4	G53 G54 P55 A60 Q61 T128	G53-R57 WeakPolarHBondContact O-CD 3.41Å; G54-R57 PolarHBondContact O-N 2.7Å; P55-R57 VanDerWaalsContact C-N 3.25Å; P55-R57 PolarHBondContact O-N 3.33Å; R57-A60 PolarHBondContact O-N 3.35Å; R57-Q61 PolarHBondContact O-N 3.11Å; R57-Q61 VanDerWaalsContact O-N 3.12Å; R57-T128 HydrophobicContact CB-CG2 4.07Å; R57-T128 WeakPolarHBondContact CD-O 3.07Å; R57-T128 PolarHBondContact NH1-O 2.93Å
58	I	98.1	Very high	97	Very high	35 Å²	35	65.3 Å²	65.3	18%	0.179	34%	0.342	C	S	.	.	H	α-helix	trans	-62.3	-53.1	170.5	-69	161.2	0	0	0	109.8	L51 G54 P55 A60 Q61 H62 T68 T128	L51-I58 WeakPolarHBondContact O-CD1 3.24Å; G54-I58 PolarHBondContact O-N 3.08Å; P55-I58 PolarHBondContact O-N 3.34Å; I58-A60 VanDerWaalsContact C-N 3.29Å; I58-A60 PolarHBondContact O-N 3.4Å; I58-Q61 WeakPolarHBondContact O-CA 3.19Å; I58-Q61 WeakPolarHBondContact O-CB 3.49Å; I58-Q61 PolarHBondContact O-N 3.39Å; I58-H62 VanDerWaalsContact CG2-CE1 3.41Å; I58-H62 WeakPolarHBondContact CG2-CE1 3.46Å; I58-H62 PolarHBondContact O-N 2.81Å; I58-T68 HydrophobicContact CB-CG2 4.32Å; I58-T68 HydrophobicContact CG1-CG2 4.04Å; I58-T68 HydrophobicContact CG2-CG2 3.74Å; I58-T128 HydrophobicContact CG1-CG2 4.29Å
59	E	97.8	Very high	97.2	Very high	100 Å²	100	58.9 Å²	58.9	47%	0.467	31%	0.314	S	S	.	.	H	α-helix	trans	-54.5	-43.7	175.5	178.1	61.2	-150	0	0	111.8	P55 Q61 H62 Q63	P55-E59 WeakPolarHBondContact O-CB 3.36Å; P55-E59 PolarHBondContact O-N 3.32Å; E59-Q61 VanDerWaalsContact C-N 3.25Å; E59-Q61 PolarHBondContact O-N 3.34Å; E59-H62 PolarHBondContact O-N 3.09Å; E59-Q63 WeakPolarHBondContact O-CB 3.37Å; E59-Q63 VanDerWaalsContact O-CG 3.24Å; E59-Q63 WeakPolarHBondContact O-CG 3.34Å; E59-Q63 PolarHBondContact O-N 3.45Å; E59-Q63 PolarHBondContact OE1-NE2 2.91Å
60	A	97.8	Very high	97.3	Very high	43 Å²	43	60.5 Å²	60.5	36%	0.355	32%	0.32	S	S	.	.	H	α-helix	trans	-71.2	-13.6	177.8	0	0	0	0	0	114.8	K56 R57 I58 K64	K56-A60 WeakPolarHBondContact O-CB 3.41Å; K56-A60 PolarHBondContact O-N 3.41Å; R57-A60 PolarHBondContact O-N 3.35Å; I58-A60 VanDerWaalsContact C-N 3.29Å; I58-A60 PolarHBondContact O-N 3.4Å; A60-K64 WeakPolarHBondContact O-CE 3.1Å; A60-K64 WeakPolarHBondContact O-CG 3.23Å
61	Q	97.7	Very high	97.5	Very high	5 Å²	5	59.8 Å²	59.8	2%	0.023	31%	0.314	C	S	.	.	H	α-helix	trans	-86.1	-46.8	170	174.4	86.4	-18.2	0	0	109.3	R57 I58 E59 Q63 K64 K66 L67 D161	R57-Q61 PolarHBondContact O-N 3.11Å; R57-Q61 VanDerWaalsContact O-N 3.12Å; I58-Q61 WeakPolarHBondContact O-CA 3.19Å; I58-Q61 WeakPolarHBondContact O-CB 3.49Å; I58-Q61 PolarHBondContact O-N 3.39Å; E59-Q61 VanDerWaalsContact C-N 3.25Å; E59-Q61 PolarHBondContact O-N 3.34Å; Q61-Q63 VanDerWaalsContact C-N 3.33Å; Q61-Q63 PolarHBondContact O-N 2.66Å; Q61-K64 WeakPolarHBondContact O-CB 3.36Å; Q61-K64 PolarHBondContact O-N 2.8Å; Q61-K66 CarbonylContact C-O 3.6Å; Q61-K66 HydrophobicContact CG-CB 3.9Å; Q61-K66 PolarHBondContact O-N 2.97Å; Q61-L67 PolarHBondContact NE2-O 2.97Å; Q61-D161 PolarHBondContact NE2-OD2 3.44Å
62	H	98.2	Very high	97.6	Very high	66 Å²	66	56 Å²	56	31%	0.306	29%	0.294	S	S	.	.	H	α-helix	trans	-59.4	-40.2	175.7	-66.7	152.8	0	0	0	112.6	I58 E59 K64 G65 K66 E71	I58-H62 VanDerWaalsContact CG2-CE1 3.41Å; I58-H62 WeakPolarHBondContact CG2-CE1 3.46Å; I58-H62 PolarHBondContact O-N 2.81Å; E59-H62 PolarHBondContact O-N 3.09Å; H62-K64 PolarHBondContact O-N 3.48Å; H62-G65 PolarHBondContact O-N 3.23Å; H62-K66 WeakPolarHBondContact CA-O 3.33Å; H62-K66 PolarHBondContact CD2-O 3.05Å; H62-E71 IonicContact CD2-OE2 3.18Å; H62-E71 IonicContact CE1-OE1 3.38Å; H62-E71 PolarHBondContact CE1-OE1 3.42Å; H62-E71 IonicContact CE1-OE2 2.68Å; H62-E71 VanDerWaalsContact NE2-CD 3.33Å; H62-E71 IonicContact NE2-OE1 2.65Å; H62-E71 PolarHBondContact NE2-OE1 3.02Å; H62-E71 IonicContact NE2-OE2 2.78Å; H62-E71 PolarHBondContact NE2-OE2 3.34Å
63	Q	97.7	Very high	97.7	Very high	143 Å²	143	55.5 Å²	55.5	67%	0.668	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-15.1	173.9	-75.5	175	5.4	0	0	114.4	E59 Q61	E59-Q63 WeakPolarHBondContact O-CB 3.37Å; E59-Q63 VanDerWaalsContact O-CG 3.24Å; E59-Q63 WeakPolarHBondContact O-CG 3.34Å; E59-Q63 PolarHBondContact O-N 3.45Å; E59-Q63 PolarHBondContact OE1-NE2 2.91Å; Q61-Q63 VanDerWaalsContact C-N 3.33Å; Q61-Q63 PolarHBondContact O-N 2.66Å
64	K	96.2	Very high	97.8	Very high	127 Å²	127	60 Å²	60	55%	0.552	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	9.5	174.1	-60.3	175.9	-176.3	-178.3	0	112.9	A60 Q61 H62 K66	A60-K64 WeakPolarHBondContact O-CE 3.1Å; A60-K64 WeakPolarHBondContact O-CG 3.23Å; Q61-K64 WeakPolarHBondContact O-CB 3.36Å; Q61-K64 PolarHBondContact O-N 2.8Å; H62-K64 PolarHBondContact O-N 3.48Å; K64-K66 HydrophobicContact CB-CD 4.29Å; K64-K66 HydrophobicContact CB-CG 4.38Å; K64-K66 PolarHBondContact O-N 3.42Å
65	G	96.8	Very high	97.9	Very high	56 Å²	56	62.5 Å²	62.5	58%	0.577	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.5	13.2	-175	0	0	0	0	0	114.4	H62	H62-G65 PolarHBondContact O-N 3.23Å
66	K	98.5	Very high	98	Very high	10 Å²	10	58.2 Å²	58.2	4%	0.043	29%	0.291	C	S	.	.			trans	-104.7	141.9	-177.5	-63.5	172.7	69.9	-152.8	0	110.7	Q61 H62 K64 D161 M198 T221	Q61-K66 CarbonylContact C-O 3.6Å; Q61-K66 HydrophobicContact CG-CB 3.9Å; Q61-K66 PolarHBondContact O-N 2.97Å; H62-K66 WeakPolarHBondContact CA-O 3.33Å; H62-K66 PolarHBondContact CD2-O 3.05Å; K64-K66 HydrophobicContact CB-CD 4.29Å; K64-K66 HydrophobicContact CB-CG 4.38Å; K64-K66 PolarHBondContact O-N 3.42Å; K66-D161 VanDerWaalsContact CE-OD2 3.27Å; K66-D161 WeakPolarHBondContact CE-OD2 3.42Å; K66-D161 IonicContact NZ-OD1 3.52Å; K66-D161 PolarHBondContact NZ-OD1 3.01Å; K66-D161 IonicContact NZ-OD2 2.75Å; K66-D161 PolarHBondContact NZ-OD2 3.39Å; K66-M198 WeakPolarHBondContact CE-O 3.21Å; K66-T221 HydrophobicContact CG-CG2 4.14Å
67	L	98.4	Very high	98	Very high	34 Å²	34	49.6 Å²	49.6	18%	0.178	25%	0.254	C	S	.	.			trans	-80.1	163.8	169.7	-62.4	179.2	0	0	0	111.4	Q61 E71 R72 L75 D265 V266	Q61-L67 PolarHBondContact NE2-O 2.97Å; L67-E71 HydrophobicContact CB-CB 4.15Å; L67-E71 HydrophobicContact CD2-CB 4.48Å; L67-R72 HydrophobicContact CB-CG 3.74Å; L67-R72 HydrophobicContact CD1-CG 4.36Å; L67-R72 VanDerWaalsContact O-CZ 3.28Å; L67-R72 PolarHBondContact O-NE 3.03Å; L67-R72 PolarHBondContact O-NH2 3.27Å; L67-L75 HydrophobicContact CD1-CD1 3.39Å; L67-D265 HydrophobicContact CB-CB 4.37Å; L67-D265 WeakPolarHBondContact CB-OD2 3.33Å; L67-D265 HydrophobicContact CD1-CB 3.83Å; L67-D265 HydrophobicContact CG-CB 3.89Å; L67-D265 PolarHBondContact N-OD2 2.81Å; L67-V266 HydrophobicContact CD1-CG2 4.24Å
68	T	98.5	Very high	98.1	Very high	17 Å²	17	45.2 Å²	45.2	10%	0.104	24%	0.239	C	C	.	.			trans	-75.4	163.9	168.7	64	0	0	0	0	111.6	I58 R70 E71 R72	I58-T68 HydrophobicContact CB-CG2 4.32Å; I58-T68 HydrophobicContact CG1-CG2 4.04Å; I58-T68 HydrophobicContact CG2-CG2 3.74Å; T68-R70 PolarHBondContact O-N 3.48Å; T68-R70 VanDerWaalsContact O-N 3.16Å; T68-E71 VanDerWaalsContact CB-OE2 3.27Å; T68-E71 WeakPolarHBondContact CB-OE2 3.46Å; T68-E71 VanDerWaalsContact CG2-OE2 3.29Å; T68-E71 WeakPolarHBondContact CG2-OE2 3.33Å; T68-E71 PolarHBondContact N-OE2 2.67Å; T68-E71 PolarHBondContact O-N 2.92Å; T68-E71 VanDerWaalsContact OG1-CG 3.28Å; T68-E71 WeakPolarHBondContact OG1-CG 3.44Å; T68-E71 PolarHBondContact OG1-N 3.44Å; T68-E71 PolarHBondContact OG1-OE2 3.11Å; T68-R72 WeakPolarHBondContact O-CD 2.99Å; T68-R72 VanDerWaalsContact O-CG 3.25Å; T68-R72 WeakPolarHBondContact O-CG 3.23Å; T68-R72 PolarHBondContact O-N 3.32Å
69	A	98.5	Very high	98.1	Very high	2 Å²	2	49 Å²	49	2%	0.017	27%	0.266	C	S	.	.	H	α-helix	trans	-56.8	-30.7	177.3	0	0	0	0	0	114	I73 V109 S124 D126	A69-I73 WeakPolarHBondContact O-CG1 3.27Å; A69-V109 HydrophobicContact CB-CG2 4.19Å; A69-S124 VanDerWaalsContact CA-OG 3.27Å; A69-S124 WeakPolarHBondContact CA-OG 3.44Å; A69-S124 WeakPolarHBondContact CB-OG 3.48Å; A69-S124 WeakPolarHBondContact O-CB 3.44Å; A69-S124 PolarHBondContact O-OG 2.87Å; A69-D126 HydrophobicContact CB-CB 3.87Å
70	R	98.1	Very high	98	Very high	37 Å²	37	52.6 Å²	52.6	14%	0.14	29%	0.288	C	S	.	.	H	α-helix	trans	-83.6	-47.7	-177.7	-65.3	-179.1	176.7	-78	0.6	111.8	S49 T68 R72 I73 D74 E84 V109	S49-R70 PolarHBondContact O-NE 3.17Å; S49-R70 PolarHBondContact O-NH2 3.37Å; S49-R70 PolarHBondContact OG-NH2 3.14Å; T68-R70 PolarHBondContact O-N 3.48Å; T68-R70 VanDerWaalsContact O-N 3.16Å; R70-R72 PolarHBondContact O-N 3.29Å; R70-I73 WeakPolarHBondContact O-CA 3.25Å; R70-I73 WeakPolarHBondContact O-CB 3.29Å; R70-I73 PolarHBondContact O-N 3.08Å; R70-D74 PolarHBondContact O-N 3.05Å; R70-E84 IonicContact CZ-OE1 3.49Å; R70-E84 IonicContact CZ-OE2 3.7Å; R70-E84 VanDerWaalsContact NH1-CD 3.29Å; R70-E84 IonicContact NH1-OE1 3.41Å; R70-E84 PolarHBondContact NH1-OE1 2.92Å; R70-E84 IonicContact NH1-OE2 3.78Å; R70-E84 PolarHBondContact NH1-OE2 2.82Å; R70-E84 IonicContact NH2-OE1 2.7Å; R70-E84 PolarHBondContact NH2-OE1 2.97Å; R70-E84 IonicContact NH2-OE2 3.24Å; R70-E84 PolarHBondContact NH2-OE2 3.5Å; R70-V109 HydrophobicContact CG-CG2 3.93Å
71	E	98.4	Very high	98	Very high	64 Å²	64	52.1 Å²	52.1	30%	0.299	28%	0.281	S	S	.	.	H	α-helix	trans	-55.2	-36.7	174.4	-69.7	160.7	146.9	0	0	112.2	H62 L67 T68 I73 D74 L75	H62-E71 IonicContact CD2-OE2 3.18Å; H62-E71 IonicContact CE1-OE1 3.38Å; H62-E71 PolarHBondContact CE1-OE1 3.42Å; H62-E71 IonicContact CE1-OE2 2.68Å; H62-E71 VanDerWaalsContact NE2-CD 3.33Å; H62-E71 IonicContact NE2-OE1 2.65Å; H62-E71 PolarHBondContact NE2-OE1 3.02Å; H62-E71 IonicContact NE2-OE2 2.78Å; H62-E71 PolarHBondContact NE2-OE2 3.34Å; L67-E71 HydrophobicContact CB-CB 4.15Å; L67-E71 HydrophobicContact CD2-CB 4.48Å; T68-E71 VanDerWaalsContact CB-OE2 3.27Å; T68-E71 WeakPolarHBondContact CB-OE2 3.46Å; T68-E71 VanDerWaalsContact CG2-OE2 3.29Å; T68-E71 WeakPolarHBondContact CG2-OE2 3.33Å; T68-E71 PolarHBondContact N-OE2 2.67Å; T68-E71 PolarHBondContact O-N 2.92Å; T68-E71 VanDerWaalsContact OG1-CG 3.28Å; T68-E71 WeakPolarHBondContact OG1-CG 3.44Å; T68-E71 PolarHBondContact OG1-N 3.44Å; T68-E71 PolarHBondContact OG1-OE2 3.11Å; E71-I73 PolarHBondContact O-N 3.43Å; E71-D74 PolarHBondContact O-N 3.27Å; E71-L75 WeakPolarHBondContact O-CG 3.37Å; E71-L75 PolarHBondContact O-N 3.22Å
72	R	98.7	Very high	98.1	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-64.4	-35.6	174.3	-69.2	168.5	174	168.1	-5.8	113.4	L67 T68 R70 L76 L159 D161 M198 D265 L269	L67-R72 HydrophobicContact CB-CG 3.74Å; L67-R72 HydrophobicContact CD1-CG 4.36Å; L67-R72 VanDerWaalsContact O-CZ 3.28Å; L67-R72 PolarHBondContact O-NE 3.03Å; L67-R72 PolarHBondContact O-NH2 3.27Å; T68-R72 WeakPolarHBondContact O-CD 2.99Å; T68-R72 VanDerWaalsContact O-CG 3.25Å; T68-R72 WeakPolarHBondContact O-CG 3.23Å; T68-R72 PolarHBondContact O-N 3.32Å; R70-R72 PolarHBondContact O-N 3.29Å; R72-L76 VanDerWaalsContact O-CB 3.25Å; R72-L76 WeakPolarHBondContact O-CB 3.31Å; R72-L76 PolarHBondContact O-N 3.37Å; R72-L159 HydrophobicContact CB-CD1 3.88Å; R72-D161 IonicContact CZ-OD2 3.88Å; R72-D161 IonicContact NH1-OD2 3.29Å; R72-D161 PolarHBondContact NH1-OD2 2.87Å; R72-D161 IonicContact NH2-OD2 3.25Å; R72-M198 HydrophobicContact CG-CE 4.14Å; R72-M198 HydrophobicContact CG-SD 4.28Å; R72-M198 VanDerWaalsContact CZ-CB 3.49Å; R72-M198 PolarHBondContact NH2-O 2.88Å; R72-D265 IonicContact CZ-OD2 2.73Å; R72-D265 IonicContact NE-OD2 2.66Å; R72-D265 PolarHBondContact NE-OD2 3.34Å; R72-D265 IonicContact NH2-OD1 3.45Å; R72-D265 IonicContact NH2-OD2 3.54Å; R72-D265 PolarHBondContact NH2-OD2 3.41Å; R72-L269 HydrophobicContact CB-CD1 3.91Å; R72-L269 HydrophobicContact CG-CD1 4.08Å; R72-L269 WeakPolarHBondContact O-CD1 3.39Å
73	I	98.6	Very high	98.1	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-72.1	-43.4	175.5	-69.1	170.1	0	0	0	110	A69 R70 E71 L75 L76 F77 F82 V109 V122	A69-I73 WeakPolarHBondContact O-CG1 3.27Å; R70-I73 WeakPolarHBondContact O-CA 3.25Å; R70-I73 WeakPolarHBondContact O-CB 3.29Å; R70-I73 PolarHBondContact O-N 3.08Å; E71-I73 PolarHBondContact O-N 3.43Å; I73-L75 VanDerWaalsContact C-N 3.28Å; I73-L75 PolarHBondContact O-N 3.43Å; I73-L76 PolarHBondContact O-N 3.44Å; I73-L76 VanDerWaalsContact O-N 3.09Å; I73-F77 HydrophobicContact CG2-CD2 3.65Å; I73-F77 HydrophobicContact CG2-CE2 4.01Å; I73-F77 PolarHBondContact O-N 3.48Å; I73-F82 HydrophobicContact CD1-CE1 4.27Å; I73-F82 HydrophobicContact CD1-CE2 4.4Å; I73-F82 HydrophobicContact CD1-CZ 3.93Å; I73-F82 HydrophobicContact CG2-CB 4.2Å; I73-F82 HydrophobicContact CG2-CD1 3.73Å; I73-F82 HydrophobicContact CG2-CD2 3.66Å; I73-F82 HydrophobicContact CG2-CE1 3.98Å; I73-F82 HydrophobicContact CG2-CE2 3.91Å; I73-F82 HydrophobicContact CG2-CG 3.58Å; I73-F82 HydrophobicContact CG2-CZ 4.07Å; I73-V109 HydrophobicContact CD1-CB 3.9Å; I73-V109 HydrophobicContact CD1-CG1 3.52Å; I73-V122 HydrophobicContact CD1-CG1 4.05Å; I73-V122 HydrophobicContact CG1-CG1 4.03Å; I73-V122 HydrophobicContact CG1-CG2 4.43Å; I73-V122 HydrophobicContact CG2-CG1 4.4Å
74	D	98	Very high	98.1	Very high	107 Å²	107	49.6 Å²	49.6	57%	0.572	27%	0.273	S	S	*	.	H	α-helix	trans	-64.5	-31.5	-178.5	-60.9	-29.9	0	0	0	112.3	R70 E71	R70-D74 PolarHBondContact O-N 3.05Å; E71-D74 PolarHBondContact O-N 3.27Å
75	L	98.1	Very high	98.2	Very high	72 Å²	72	47 Å²	47	38%	0.377	26%	0.26	S	S	.	.	H	α-helix	trans	-78.5	-31	170.7	-71.5	177.6	0	0	0	113.9	L67 E71 I73 V266 L269	L67-L75 HydrophobicContact CD1-CD1 3.39Å; E71-L75 WeakPolarHBondContact O-CG 3.37Å; E71-L75 PolarHBondContact O-N 3.22Å; I73-L75 VanDerWaalsContact C-N 3.28Å; I73-L75 PolarHBondContact O-N 3.43Å; L75-V266 HydrophobicContact CD1-CG2 4.01Å; L75-L269 HydrophobicContact CB-CD1 4.09Å; L75-L269 HydrophobicContact CD1-CD1 4.34Å
76	L	98.5	Very high	98.3	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-75.4	-43.7	-177	179.6	58.7	0	0	0	112	R72 I73 I115 V122 I157 L159 L269 L272 R273	R72-L76 VanDerWaalsContact O-CB 3.25Å; R72-L76 WeakPolarHBondContact O-CB 3.31Å; R72-L76 PolarHBondContact O-N 3.37Å; I73-L76 PolarHBondContact O-N 3.44Å; I73-L76 VanDerWaalsContact O-N 3.09Å; L76-I115 HydrophobicContact CD1-CD1 3.89Å; L76-I115 HydrophobicContact CG-CD1 4.15Å; L76-V122 HydrophobicContact CD2-CG2 4.1Å; L76-I157 HydrophobicContact CD1-CD1 4.27Å; L76-I157 HydrophobicContact CD2-CB 4.44Å; L76-I157 HydrophobicContact CD2-CD1 3.98Å; L76-I157 HydrophobicContact CD2-CG2 3.99Å; L76-L159 HydrophobicContact CD2-CD1 4.23Å; L76-L159 HydrophobicContact CD2-CD2 4.48Å; L76-L269 HydrophobicContact CB-CD2 4.24Å; L76-L269 HydrophobicContact CD1-CD2 4.25Å; L76-L272 HydrophobicContact CD1-CD2 3.87Å; L76-L272 HydrophobicContact CD1-CG 4.12Å; L76-R273 HydrophobicContact CD1-CG 4.26Å; L76-R273 WeakPolarHBondContact O-CD 3.41Å; L76-R273 WeakPolarHBondContact O-CG 3.46Å; L76-R273 PolarHBondContact O-NH1 3Å
77	F	98.7	Very high	98.2	Very high	6 Å²	6	46.9 Å²	46.9	3%	0.026	25%	0.249	C	C	.	.	S	Bend	trans	-91	159.6	-175.8	-71.2	-37.4	0	0	0	113.5	I73 F82 K114 I115 C120 V122 R273	I73-F77 HydrophobicContact CG2-CD2 3.65Å; I73-F77 HydrophobicContact CG2-CE2 4.01Å; I73-F77 PolarHBondContact O-N 3.48Å; F77-F82 HydrophobicContact CD2-CB 4.02Å; F77-F82 AromaticContact CD2-CD2 3.69Å; F77-F82 HydrophobicContact CD2-CD2 3.69Å; F77-F82 HydrophobicContact CD2-CG 4.17Å; F77-F82 AromaticContact CE2-CD2 3.54Å; F77-F82 HydrophobicContact CE2-CD2 3.54Å; F77-F82 HydrophobicContact CE2-CE2 4.09Å; F77-F82 HydrophobicContact CE2-CG 4.45Å; F77-K114 CarbonylContact C-O 3.45Å; F77-K114 VanDerWaalsContact CA-O 3.31Å; F77-K114 WeakPolarHBondContact CA-O 3.29Å; F77-K114 WeakPolarHBondContact CD1-O 3.49Å; F77-I115 HydrophobicContact CD1-CD1 4.34Å; F77-I115 HydrophobicContact CD1-CG1 3.73Å; F77-I115 HydrophobicContact CE1-CD1 4.33Å; F77-I115 HydrophobicContact CE1-CG1 4.08Å; F77-C120 HydrophobicContact CE1-CB 4.01Å; F77-C120 WeakPolarHBondContact CZ-O 3.05Å; F77-V122 HydrophobicContact CE2-CB 4.02Å; F77-V122 HydrophobicContact CE2-CG1 3.39Å; F77-V122 HydrophobicContact CZ-CB 3.73Å; F77-V122 HydrophobicContact CZ-CG1 3.64Å; F77-R273 VanDerWaalsContact C-NH1 3.32Å
78	D	98.6	Very high	98.2	Very high	26 Å²	26	49.7 Å²	49.7	14%	0.139	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-62.9	140.4	170.5	-54.9	-27.1	0	0	0	109.2	T81 K114 Y116 G117 R273	D78-T81 HydrophobicContact CB-CG2 3.85Å; D78-T81 WeakPolarHBondContact O-CB 3.49Å; D78-T81 WeakPolarHBondContact O-CG2 3.21Å; D78-T81 PolarHBondContact O-N 2.53Å; D78-T81 PolarHBondContact O-OG1 2.74Å; D78-K114 HydrophobicContact CB-CB 4.44Å; D78-K114 VanDerWaalsContact CG-O 3.27Å; D78-K114 PolarHBondContact N-O 3.48Å; D78-K114 WeakPolarHBondContact OD2-CB 3.42Å; D78-Y116 PolarHBondContact OD1-N 3.5Å; D78-Y116 PolarHBondContact OD2-N 3.09Å; D78-G117 PolarHBondContact OD2-N 3.05Å; D78-R273 IonicContact OD1-CZ 3.68Å; D78-R273 IonicContact OD1-NH1 3.48Å; D78-R273 PolarHBondContact OD1-NH1 3.27Å; D78-R273 IonicContact OD1-NH2 3.2Å; D78-R273 PolarHBondContact OD1-NH2 2.94Å
79	P	98	Very high	98.1	Very high	113 Å²	113	51 Å²	51	73%	0.734	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	139.7	-177	-30.1	35.7	0	0	0	113.7	T81	P79-T81 PolarHBondContact O-N 2.8Å; P79-T81 VanDerWaalsContact O-N 3.1Å
80	D	96.4	Very high	98	Very high	177 Å²	177	54.7 Å²	54.7	95%	0.947	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	16.2	179.9	-56.4	-48.4	0	0	0	115.9
81	T	98.4	Very high	97.9	Very high	33 Å²	33	53 Å²	53	20%	0.202	28%	0.279	C	S	.	.			trans	-97.3	-16.1	178.7	70.1	0	0	0	0	115.4	D78 P79 T83 K114	D78-T81 HydrophobicContact CB-CG2 3.85Å; D78-T81 WeakPolarHBondContact O-CB 3.49Å; D78-T81 WeakPolarHBondContact O-CG2 3.21Å; D78-T81 PolarHBondContact O-N 2.53Å; D78-T81 PolarHBondContact O-OG1 2.74Å; P79-T81 PolarHBondContact O-N 2.8Å; P79-T81 VanDerWaalsContact O-N 3.1Å; T81-T83 PolarHBondContact O-N 3.04Å; T81-K114 HydrophobicContact CG2-CB 4.11Å; T81-K114 HydrophobicContact CG2-CD 4.11Å; T81-K114 HydrophobicContact CG2-CG 4.39Å; T81-K114 PolarHBondContact OG1-N 2.75Å; T81-K114 VanDerWaalsContact OG1-N 3.07Å
82	F	98.6	Very high	97.7	Very high	51 Å²	51	58 Å²	58	22%	0.224	30%	0.295	C	S	.	.			trans	-71.2	127.5	-176.4	-178.6	-125.3	0	0	0	112.8	I73 F77 E84 V109 W112 V122	I73-F82 HydrophobicContact CD1-CE1 4.27Å; I73-F82 HydrophobicContact CD1-CE2 4.4Å; I73-F82 HydrophobicContact CD1-CZ 3.93Å; I73-F82 HydrophobicContact CG2-CB 4.2Å; I73-F82 HydrophobicContact CG2-CD1 3.73Å; I73-F82 HydrophobicContact CG2-CD2 3.66Å; I73-F82 HydrophobicContact CG2-CE1 3.98Å; I73-F82 HydrophobicContact CG2-CE2 3.91Å; I73-F82 HydrophobicContact CG2-CG 3.58Å; I73-F82 HydrophobicContact CG2-CZ 4.07Å; F77-F82 HydrophobicContact CD2-CB 4.02Å; F77-F82 AromaticContact CD2-CD2 3.69Å; F77-F82 HydrophobicContact CD2-CD2 3.69Å; F77-F82 HydrophobicContact CD2-CG 4.17Å; F77-F82 AromaticContact CE2-CD2 3.54Å; F77-F82 HydrophobicContact CE2-CD2 3.54Å; F77-F82 HydrophobicContact CE2-CE2 4.09Å; F77-F82 HydrophobicContact CE2-CG 4.45Å; F82-E84 HydrophobicContact CE1-CB 3.71Å; F82-E84 HydrophobicContact CE1-CG 4.29Å; F82-E84 HydrophobicContact CZ-CB 3.88Å; F82-E84 HydrophobicContact CZ-CG 4.26Å; F82-V109 HydrophobicContact CE1-CG1 4.11Å; F82-V109 HydrophobicContact CZ-CG1 3.95Å; F82-W112 WeakPolarHBondContact CD2-O 3.44Å; F82-V122 HydrophobicContact CE2-CG1 3.94Å
83	T	98.4	Very high	97.6	Very high	58 Å²	58	58.9 Å²	58.9	36%	0.356	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	105.8	173	-59.3	0	0	0	0	109.7	T81 Y85 G111 W112	T81-T83 PolarHBondContact O-N 3.04Å; T83-Y85 HydrophobicContact CG2-CD1 4.41Å; T83-Y85 HydrophobicContact CG2-CE1 3.81Å; T83-G111 VanDerWaalsContact O-CA 3.24Å; T83-G111 WeakPolarHBondContact O-CA 3.36Å; T83-W112 PolarHBondContact N-O 3.24Å; T83-W112 PolarHBondContact O-N 3.05Å
84	E	98.4	Very high	97.4	Very high	51 Å²	51	62.7 Å²	62.7	24%	0.238	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	138.1	177.7	-171	178.2	-179.1	0	0	112.5	R70 F82 A87 V109	R70-E84 IonicContact CZ-OE1 3.49Å; R70-E84 IonicContact CZ-OE2 3.7Å; R70-E84 VanDerWaalsContact NH1-CD 3.29Å; R70-E84 IonicContact NH1-OE1 3.41Å; R70-E84 PolarHBondContact NH1-OE1 2.92Å; R70-E84 IonicContact NH1-OE2 3.78Å; R70-E84 PolarHBondContact NH1-OE2 2.82Å; R70-E84 IonicContact NH2-OE1 2.7Å; R70-E84 PolarHBondContact NH2-OE1 2.97Å; R70-E84 IonicContact NH2-OE2 3.24Å; R70-E84 PolarHBondContact NH2-OE2 3.5Å; F82-E84 HydrophobicContact CE1-CB 3.71Å; F82-E84 HydrophobicContact CE1-CG 4.29Å; F82-E84 HydrophobicContact CZ-CB 3.88Å; F82-E84 HydrophobicContact CZ-CG 4.26Å; E84-A87 HydrophobicContact CG-CB 4.14Å; E84-A87 WeakPolarHBondContact OE1-CB 3.46Å; E84-V109 HydrophobicContact CG-CG1 4.21Å
85	Y	98.3	Very high	97.3	Very high	72 Å²	72	62.3 Å²	62.3	28%	0.282	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	149.1	169.6	-61.3	-30.9	0	0	0	111.5	T83 A87 T110 W112 F121 I145	T83-Y85 HydrophobicContact CG2-CD1 4.41Å; T83-Y85 HydrophobicContact CG2-CE1 3.81Å; Y85-A87 VanDerWaalsContact C-N 3.27Å; Y85-A87 PolarHBondContact O-N 3.39Å; Y85-T110 PolarHBondContact N-O 2.72Å; Y85-T110 PolarHBondContact O-OG1 2.97Å; Y85-W112 AromaticContact CE2-CD1 3.89Å; Y85-W112 AromaticContact CZ-CD1 3.63Å; Y85-W112 AromaticContact CZ-NE1 3.91Å; Y85-W112 VanDerWaalsContact OH-CD1 3.27Å; Y85-W112 PolarHBondContact OH-NE1 3.23Å; Y85-F121 HydrophobicContact CE2-CE1 4.5Å; Y85-I145 HydrophobicContact CD2-CG2 4.16Å
86	D	97.7	Very high	97.2	Very high	43 Å²	43	67.2 Å²	67.2	23%	0.23	34%	0.344	C	S	.	.			trans	55.8	35.6	174.6	-58	-32.8	0	0	0	114.4	F88 V89 K141 K144	D86-F88 PolarHBondContact O-N 3.17Å; D86-F88 VanDerWaalsContact O-N 3.17Å; D86-V89 HydrophobicContact CB-CG1 3.76Å; D86-V89 HydrophobicContact CB-CG2 4.04Å; D86-V89 WeakPolarHBondContact O-CG2 3.41Å; D86-V89 PolarHBondContact O-N 2.94Å; D86-K141 HydrophobicContact CB-CD 3.95Å; D86-K141 HydrophobicContact CB-CG 3.84Å; D86-K141 PolarHBondContact O-NZ 3.04Å; D86-K144 IonicContact OD1-NZ 2.79Å; D86-K144 PolarHBondContact OD1-NZ 3.05Å; D86-K144 WeakPolarHBondContact OD2-CD 3.28Å; D86-K144 VanDerWaalsContact OD2-CE 3.28Å; D86-K144 WeakPolarHBondContact OD2-CE 3.27Å; D86-K144 IonicContact OD2-NZ 2.69Å; D86-K144 PolarHBondContact OD2-NZ 3.31Å
87	A	97.3	Very high	96.9	Very high	21 Å²	21	68.5 Å²	68.5	17%	0.174	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-19.9	176.7	0	0	0	0	0	113.9	S49 E84 Y85 P104 G105	S49-A87 WeakPolarHBondContact CB-O 3.39Å; S49-A87 PolarHBondContact OG-O 2.82Å; E84-A87 HydrophobicContact CG-CB 4.14Å; E84-A87 WeakPolarHBondContact OE1-CB 3.46Å; Y85-A87 VanDerWaalsContact C-N 3.27Å; Y85-A87 PolarHBondContact O-N 3.39Å; A87-P104 CarbonylContact O-C 3.48Å; A87-P104 WeakPolarHBondContact O-CB 3.32Å; A87-G105 PolarHBondContact O-N 3.15Å
88	F	97.1	Very high	96.7	Very high	93 Å²	93	68.9 Å²	68.9	41%	0.408	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	0.8	-174.8	-59.6	-31.8	0	0	0	114.8	I42 T45 R46 D86	I42-F88 HydrophobicContact CG2-CE2 4.45Å; I42-F88 HydrophobicContact CG2-CZ 4.18Å; T45-F88 HydrophobicContact CG2-CD1 3.62Å; T45-F88 HydrophobicContact CG2-CE1 3.97Å; T45-F88 HydrophobicContact CG2-CG 4.31Å; R46-F88 HydrophobicContact CB-CE1 4.06Å; R46-F88 HydrophobicContact CB-CZ 4.27Å; D86-F88 PolarHBondContact O-N 3.17Å; D86-F88 VanDerWaalsContact O-N 3.17Å
89	V	96.8	Very high	96.5	Very high	46 Å²	46	71.2 Å²	71.2	28%	0.279	37%	0.369	S	S	.	.			trans	-74	150.3	179.4	-53.9	0	0	0	0	110.6	D86 P104 G105 V137 K141	D86-V89 HydrophobicContact CB-CG1 3.76Å; D86-V89 HydrophobicContact CB-CG2 4.04Å; D86-V89 WeakPolarHBondContact O-CG2 3.41Å; D86-V89 PolarHBondContact O-N 2.94Å; V89-P104 CarbonylContact O-C 3.58Å; V89-G105 PolarHBondContact O-N 2.95Å; V89-V137 HydrophobicContact CB-CG1 4.03Å; V89-V137 HydrophobicContact CG2-CG1 3.55Å; V89-K141 HydrophobicContact CG2-CD 3.65Å; V89-K141 HydrophobicContact CG2-CG 4.05Å
90	E	96.6	Very high	96.3	Very high	79 Å²	79	73.9 Å²	73.9	37%	0.369	37%	0.369	S	S	.	.			trans	-130.9	156.4	178	-58.6	180	146.3	0	0	109.1	K102	E90-K102 HydrophobicContact CB-CB 4.44Å; E90-K102 HydrophobicContact CB-CD 4.08Å; E90-K102 HydrophobicContact CG-CB 4.32Å; E90-K102 HydrophobicContact CG-CD 4.46Å; E90-K102 WeakPolarHBondContact OE2-CD 3.38Å; E90-K102 IonicContact OE2-NZ 3.94Å
91	H	96.4	Very high	96.2	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	34%	0.344	C	S	.	.			trans	-63.5	158.4	172	68.4	82.8	0	0	0	111.9	C93 M98 T101 K102 D106 F130	H91-C93 PolarHBondContact ND1-O 3.04Å; H91-M98 PolarHBondContact CE1-O 2.99Å; H91-M98 VanDerWaalsContact CE1-O 3.24Å; H91-T101 PolarHBondContact NE2-O 3.31Å; H91-K102 PolarHBondContact O-NZ 2.65Å; H91-K102 VanDerWaalsContact O-NZ 3.11Å; H91-D106 IonicContact CD2-OD1 2.82Å; H91-F130 AromaticContact CD2-CE2 3.93Å; H91-F130 AromaticContact NE2-CZ 3.98Å
92	R	95	Very high	96	Very high	171 Å²	171	71.2 Å²	71.2	65%	0.645	35%	0.352	S	S	*	.			trans	-108.7	-3.8	-178.4	-68.9	173.9	-76.9	154.1	-0.7	113.6
93	C	95.4	Very high	95.9	Very high	18 Å²	18	70.7 Å²	70.7	12%	0.122	35%	0.35	C	S	.	.			trans	-62.3	135.8	175.8	-179.4	0	0	0	0	112.5	H91 D95 M98 Q168 E169	H91-C93 PolarHBondContact ND1-O 3.04Å; C93-D95 PolarHBondContact SG-N 3.26Å; C93-M98 HydrophobicContact CB-CB 4.26Å; C93-Q168 PolarHBondContact SG-O 3.07Å; C93-Q168 VanDerWaalsContact SG-O 3.37Å; C93-E169 HydrophobicContact CB-CG 3.73Å
94	S	94.9	Very high	95.8	Very high	80 Å²	80	68.7 Å²	68.7	56%	0.559	34%	0.338	S	S	*	.			trans	-120.2	3.4	173.4	55.5	0	0	0	0	113.2
95	D	95.3	Very high	95.7	Very high	99 Å²	99	66.5 Å²	66.5	53%	0.529	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-80.9	155.5	176.6	-62.2	-46.3	0	0	0	110.3	C93 G97 M98	C93-D95 PolarHBondContact SG-N 3.26Å; D95-G97 PolarHBondContact O-N 3.49Å; D95-M98 WeakPolarHBondContact O-CB 3.4Å; D95-M98 VanDerWaalsContact O-CG 3.23Å; D95-M98 WeakPolarHBondContact O-CG 3.44Å; D95-M98 PolarHBondContact O-N 2.84Å
96	F	95.6	Very high	95.6	Very high	175 Å²	175	63 Å²	63	77%	0.768	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	54.2	20.4	178.2	-51.1	-78.9	0	0	0	115.7	Q168	F96-Q168 HydrophobicContact CB-CB 4.43Å; F96-Q168 HydrophobicContact CB-CG 4.1Å; F96-Q168 HydrophobicContact CD2-CB 3.95Å; F96-Q168 HydrophobicContact CD2-CG 4.25Å; F96-Q168 HydrophobicContact CG-CG 4.39Å
97	G	93.6	Very high	95.6	Very high	26 Å²	26	61.1 Å²	61.1	27%	0.268	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	82.5	10.4	-179.7	0	0	0	0	0	114.7	D95 E99 K100	D95-G97 PolarHBondContact O-N 3.49Å; G97-E99 WeakPolarHBondContact CA-OE2 3.5Å; G97-E99 PolarHBondContact O-N 3.19Å; G97-K100 PolarHBondContact O-N 3.07Å
98	M	94.8	Very high	95.6	Very high	15 Å²	15	60.3 Å²	60.3	7%	0.074	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-56.8	-32.3	-179.7	-73.6	-66.4	-61.8	0	0	112.6	H91 C93 D95 K100 T101 F130 Q168	H91-M98 PolarHBondContact CE1-O 2.99Å; H91-M98 VanDerWaalsContact CE1-O 3.24Å; C93-M98 HydrophobicContact CB-CB 4.26Å; D95-M98 WeakPolarHBondContact O-CB 3.4Å; D95-M98 VanDerWaalsContact O-CG 3.23Å; D95-M98 WeakPolarHBondContact O-CG 3.44Å; D95-M98 PolarHBondContact O-N 2.84Å; M98-K100 PolarHBondContact O-N 3.1Å; M98-T101 PolarHBondContact O-N 2.69Å; M98-F130 HydrophobicContact CE-CD1 4.3Å; M98-F130 HydrophobicContact CE-CE1 3.73Å; M98-F130 HydrophobicContact CE-CE2 4.02Å; M98-F130 HydrophobicContact CE-CZ 3.56Å; M98-F130 HydrophobicContact SD-CE1 4.19Å; M98-Q168 HydrophobicContact CG-CB 3.76Å; M98-Q168 HydrophobicContact CG-CG 4.18Å; M98-Q168 HydrophobicContact SD-CB 3.99Å; M98-Q168 HydrophobicContact SD-CG 4Å
99	E	93.3	Very high	95.7	Very high	75 Å²	75	56 Å²	56	35%	0.35	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-56	-24.9	-179.1	74.7	-65.2	160.6	0	0	114.1	G97	G97-E99 WeakPolarHBondContact CA-OE2 3.5Å; G97-E99 PolarHBondContact O-N 3.19Å
100	K	94.6	Very high	95.8	Very high	168 Å²	168	53.9 Å²	53.9	73%	0.73	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-81.4	-19.8	-178.7	-68.7	157.6	-175.3	150	0	114	G97 M98	G97-K100 PolarHBondContact O-N 3.07Å; M98-K100 PolarHBondContact O-N 3.1Å
101	T	93.7	Very high	95.9	Very high	67 Å²	67	50.1 Å²	50.1	41%	0.411	25%	0.249	S	C	.	.			trans	-126.9	100.2	-173.1	-55.9	0	0	0	0	108.9	H91 M98 F103 F130	H91-T101 PolarHBondContact NE2-O 3.31Å; M98-T101 PolarHBondContact O-N 2.69Å; T101-F103 HydrophobicContact CG2-CD2 4.28Å; T101-F103 HydrophobicContact CG2-CE2 3.55Å; T101-F103 HydrophobicContact CG2-CZ 4.14Å; T101-F130 HydrophobicContact CG2-CE1 4.19Å; T101-F130 HydrophobicContact CG2-CZ 4.19Å; T101-F130 WeakPolarHBondContact O-CZ 3.37Å
102	K	94.7	Very high	96	Very high	87 Å²	87	53.6 Å²	53.6	38%	0.378	26%	0.262	S	S	.	.			trans	-119.4	137.5	179	-60	-161.9	175	-154.4	0	111.5	E90 H91	E90-K102 HydrophobicContact CB-CB 4.44Å; E90-K102 HydrophobicContact CB-CD 4.08Å; E90-K102 HydrophobicContact CG-CB 4.32Å; E90-K102 HydrophobicContact CG-CD 4.46Å; E90-K102 WeakPolarHBondContact OE2-CD 3.38Å; E90-K102 IonicContact OE2-NZ 3.94Å; H91-K102 PolarHBondContact O-NZ 2.65Å; H91-K102 VanDerWaalsContact O-NZ 3.11Å
103	F	96.3	Very high	96.2	Very high	40 Å²	40	45.4 Å²	45.4	18%	0.175	23%	0.231	C	C	.	.			trans	-120.5	119.5	175.9	-66.6	-83.9	0	0	0	109.1	G52 T101 G105 D106 V129 F130	G52-F103 VanDerWaalsContact O-CD1 3.27Å; G52-F103 WeakPolarHBondContact O-CD1 3.43Å; T101-F103 HydrophobicContact CG2-CD2 4.28Å; T101-F103 HydrophobicContact CG2-CE2 3.55Å; T101-F103 HydrophobicContact CG2-CZ 4.14Å; F103-G105 PolarHBondContact O-N 3.23Å; F103-D106 PolarHBondContact O-N 2.95Å; F103-V129 HydrophobicContact CB-CG1 3.59Å; F103-V129 HydrophobicContact CB-CG2 4.18Å; F103-V129 HydrophobicContact CD1-CG2 4.24Å; F103-V129 HydrophobicContact CD2-CG1 3.75Å; F103-V129 HydrophobicContact CG-CG1 3.74Å; F103-V129 HydrophobicContact CG-CG2 4.17Å; F103-F130 HydrophobicContact CD2-CD2 4.25Å; F103-F130 HydrophobicContact CD2-CE1 4.41Å; F103-F130 AromaticContact CD2-CE2 3.68Å; F103-F130 HydrophobicContact CD2-CE2 3.68Å; F103-F130 AromaticContact CD2-CZ 3.77Å; F103-F130 HydrophobicContact CD2-CZ 3.77Å; F103-F130 HydrophobicContact CE2-CE1 4.23Å; F103-F130 HydrophobicContact CE2-CE2 4.29Å; F103-F130 HydrophobicContact CE2-CZ 4.01Å
104	P	96.5	Very high	96.4	Very high	16 Å²	16	48.4 Å²	48.4	10%	0.104	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	132.2	171.2	-25.9	35.4	0	0	0	111.1	T45 K48 A87 V89	T45-P104 HydrophobicContact CG2-CB 4.25Å; T45-P104 HydrophobicContact CG2-CG 3.92Å; K48-P104 HydrophobicContact CB-CG 4.45Å; A87-P104 CarbonylContact O-C 3.48Å; A87-P104 WeakPolarHBondContact O-CB 3.32Å; V89-P104 CarbonylContact O-C 3.58Å
105	G	95.2	Very high	96.5	Very high	5 Å²	5	45 Å²	45	5%	0.052	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.4	-20.5	-176.9	0	0	0	0	0	114.7	A87 V89 F103 K141	A87-G105 PolarHBondContact O-N 3.15Å; V89-G105 PolarHBondContact O-N 2.95Å; F103-G105 PolarHBondContact O-N 3.23Å; G105-K141 VanDerWaalsContact O-CD 3.29Å; G105-K141 WeakPolarHBondContact O-CD 3.41Å; G105-K141 PolarHBondContact O-NZ 3.16Å
106	D	97	Very high	96.6	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	63.8	176	-162.3	28.7	0	0	0	115.8	H91 F103 V108 S135 V137 H138 R166	H91-D106 IonicContact CD2-OD1 2.82Å; F103-D106 PolarHBondContact O-N 2.95Å; D106-V108 PolarHBondContact O-N 3.19Å; D106-V108 VanDerWaalsContact O-N 3.12Å; D106-S135 WeakPolarHBondContact OD2-CB 3.35Å; D106-S135 PolarHBondContact OD2-OG 3.31Å; D106-V137 HydrophobicContact CB-CG1 4.14Å; D106-V137 WeakPolarHBondContact OD2-CB 3.46Å; D106-H138 WeakPolarHBondContact O-CB 3.42Å; D106-H138 PolarHBondContact O-ND1 2.9Å; D106-H138 PolarHBondContact OD2-N 2.61Å; D106-R166 IonicContact OD1-CZ 3.64Å; D106-R166 VanDerWaalsContact OD1-CZ 3.23Å; D106-R166 IonicContact OD1-NH1 2.81Å; D106-R166 PolarHBondContact OD1-NH1 3.45Å; D106-R166 IonicContact OD1-NH2 3.67Å; D106-R166 PolarHBondContact OD1-NH2 3.28Å; D106-R166 IonicContact OD2-NH1 2.8Å; D106-R166 IonicContact OD2-NH2 3.92Å
107	S	97.3	Very high	96.7	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.021	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	59	12.9	176.1	71.4	0	0	0	0	118.1	D126 V129 S133 H138 R166	S107-D126 PolarHBondContact O-N 3.09Å; S107-V129 WeakPolarHBondContact CB-O 3.3Å; S107-S133 PolarHBondContact OG-O 2.79Å; S107-H138 PolarHBondContact O-CE1 3.22Å; S107-H138 PolarHBondContact OG-ND1 3.12Å; S107-R166 PolarHBondContact OG-NH2 2.99Å; S107-R166 VanDerWaalsContact OG-NH2 3.11Å
108	V	98.6	Very high	96.9	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.018	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	136	170	64.6	0	0	0	0	112	D106 T110 F123 S124 Q125 H138 K141 I142	D106-V108 PolarHBondContact O-N 3.19Å; D106-V108 VanDerWaalsContact O-N 3.12Å; V108-T110 HydrophobicContact CG1-CG2 4.2Å; V108-T110 HydrophobicContact CG2-CG2 3.84Å; V108-F123 HydrophobicContact CG2-CB 3.91Å; V108-S124 WeakPolarHBondContact CA-O 3.06Å; V108-Q125 HydrophobicContact CG2-CG 4.37Å; V108-H138 HydrophobicContact CG1-CB 4.19Å; V108-K141 HydrophobicContact CG1-CB 4.02Å; V108-K141 HydrophobicContact CG1-CD 3.81Å; V108-K141 HydrophobicContact CG1-CG 4.47Å; V108-K141 VanDerWaalsContact O-CE 3.25Å; V108-K141 WeakPolarHBondContact O-CE 3.48Å; V108-K141 PolarHBondContact O-NZ 2.67Å; V108-I142 HydrophobicContact CG2-CD1 4.33Å; V108-I142 HydrophobicContact CG2-CG1 4.18Å
109	V	98.7	Very high	97.1	Very high	4 Å²	4	41.3 Å²	41.3	2%	0.024	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	130.1	168.2	-175.7	0	0	0	0	107.4	A69 R70 I73 F82 E84 F123 S124	A69-V109 HydrophobicContact CB-CG2 4.19Å; R70-V109 HydrophobicContact CG-CG2 3.93Å; I73-V109 HydrophobicContact CD1-CB 3.9Å; I73-V109 HydrophobicContact CD1-CG1 3.52Å; F82-V109 HydrophobicContact CE1-CG1 4.11Å; F82-V109 HydrophobicContact CZ-CG1 3.95Å; E84-V109 HydrophobicContact CG-CG1 4.21Å; V109-F123 CarbonylContact O-C 3.56Å; V109-F123 WeakPolarHBondContact O-CA 3.34Å; V109-S124 PolarHBondContact N-O 3.11Å; V109-S124 PolarHBondContact O-N 3.25Å
110	T	98.9	Very high	97.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	144.2	-175	50.6	0	0	0	0	110.9	Y85 V108 V122 F123 K141 I142 I145	Y85-T110 PolarHBondContact N-O 2.72Å; Y85-T110 PolarHBondContact O-OG1 2.97Å; V108-T110 HydrophobicContact CG1-CG2 4.2Å; V108-T110 HydrophobicContact CG2-CG2 3.84Å; T110-V122 WeakPolarHBondContact CA-O 3.49Å; T110-F123 HydrophobicContact CG2-CB 3.87Å; T110-K141 HydrophobicContact CG2-CB 3.77Å; T110-K141 WeakPolarHBondContact OG1-CE 3.41Å; T110-I142 HydrophobicContact CG2-CG1 4.48Å; T110-I145 HydrophobicContact CG2-CD1 4.11Å
111	G	98.7	Very high	97.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.4	-154.4	175.1	0	0	0	0	0	112.3	T83 F121 V122	T83-G111 VanDerWaalsContact O-CA 3.24Å; T83-G111 WeakPolarHBondContact O-CA 3.36Å; G111-F121 WeakPolarHBondContact O-CA 3.06Å; G111-V122 PolarHBondContact N-O 2.88Å; G111-V122 PolarHBondContact O-N 3Å
112	W	98.8	Very high	97.8	Very high	73 Å²	73	27.2 Å²	27.2	28%	0.277	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	158.5	172.8	74.8	-76.3	0	0	0	110.6	F82 T83 Y85 K114 P119 C120 F121	F82-W112 WeakPolarHBondContact CD2-O 3.44Å; T83-W112 PolarHBondContact N-O 3.24Å; T83-W112 PolarHBondContact O-N 3.05Å; Y85-W112 AromaticContact CE2-CD1 3.89Å; Y85-W112 AromaticContact CZ-CD1 3.63Å; Y85-W112 AromaticContact CZ-NE1 3.91Å; Y85-W112 VanDerWaalsContact OH-CD1 3.27Å; Y85-W112 PolarHBondContact OH-NE1 3.23Å; W112-K114 HydrophobicContact CZ3-CG 4.45Å; W112-P119 HydrophobicContact CE3-CB 4.49Å; W112-C120 VanDerWaalsContact CA-O 3.31Å; W112-C120 WeakPolarHBondContact CA-O 3.28Å; W112-F121 HydrophobicContact CB-CD1 3.73Å; W112-F121 HydrophobicContact CB-CD2 4.35Å; W112-F121 HydrophobicContact CB-CE1 3.81Å; W112-F121 HydrophobicContact CB-CE2 4.38Å; W112-F121 HydrophobicContact CB-CG 4.03Å; W112-F121 HydrophobicContact CB-CZ 4.14Å; W112-F121 HydrophobicContact CG-CE1 4.38Å
113	G	98.7	Very high	98	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	-158.1	174	0	0	0	0	0	109.9	P119 C120	G113-P119 WeakPolarHBondContact O-CA 3.12Å; G113-C120 PolarHBondContact N-O 3.06Å; G113-C120 PolarHBondContact O-N 3.37Å
114	K	98.7	Very high	98.1	Very high	81 Å²	81	21.6 Å²	21.6	35%	0.352	11%	0.111	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	147	176.6	-66.3	174.8	173.4	-174.4	0	111.8	F77 D78 T81 W112 G117 R118	F77-K114 CarbonylContact C-O 3.45Å; F77-K114 VanDerWaalsContact CA-O 3.31Å; F77-K114 WeakPolarHBondContact CA-O 3.29Å; F77-K114 WeakPolarHBondContact CD1-O 3.49Å; D78-K114 HydrophobicContact CB-CB 4.44Å; D78-K114 VanDerWaalsContact CG-O 3.27Å; D78-K114 PolarHBondContact N-O 3.48Å; D78-K114 WeakPolarHBondContact OD2-CB 3.42Å; T81-K114 HydrophobicContact CG2-CB 4.11Å; T81-K114 HydrophobicContact CG2-CD 4.11Å; T81-K114 HydrophobicContact CG2-CG 4.39Å; T81-K114 PolarHBondContact OG1-N 2.75Å; T81-K114 VanDerWaalsContact OG1-N 3.07Å; W112-K114 HydrophobicContact CZ3-CG 4.45Å; K114-G117 WeakPolarHBondContact CD-O 3.42Å; K114-R118 CarbonylContact C-O 3.59Å; K114-R118 WeakPolarHBondContact CA-O 3.1Å
115	I	98.4	Very high	98.2	Very high	7 Å²	7	21.2 Å²	21.2	4%	0.036	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	117.6	166.3	-56.8	178.1	0	0	0	106.2	L76 F77 G117 R118 C120 I157 R273 M276	L76-I115 HydrophobicContact CD1-CD1 3.89Å; L76-I115 HydrophobicContact CG-CD1 4.15Å; F77-I115 HydrophobicContact CD1-CD1 4.34Å; F77-I115 HydrophobicContact CD1-CG1 3.73Å; F77-I115 HydrophobicContact CE1-CD1 4.33Å; F77-I115 HydrophobicContact CE1-CG1 4.08Å; I115-G117 PolarHBondContact O-N 3.1Å; I115-R118 PolarHBondContact N-O 3.01Å; I115-R118 WeakPolarHBondContact O-CB 3.33Å; I115-R118 PolarHBondContact O-N 2.91Å; I115-C120 HydrophobicContact CD1-CB 4.38Å; I115-I157 HydrophobicContact CD1-CD1 3.74Å; I115-R273 HydrophobicContact CG2-CB 4.16Å; I115-R273 HydrophobicContact CG2-CG 4.06Å; I115-M276 HydrophobicContact CD1-CB 4.49Å; I115-M276 HydrophobicContact CD1-CG 4.05Å; I115-M276 HydrophobicContact CG2-CB 4.3Å
116	Y	96.9	Very high	98.4	Very high	99 Å²	99	21.8 Å²	21.8	39%	0.388	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	43.5	-173.3	-61.2	-51.2	0	0	0	112.9	D78 R118 R273 E274 N277	D78-Y116 PolarHBondContact OD1-N 3.5Å; D78-Y116 PolarHBondContact OD2-N 3.09Å; Y116-R118 PolarHBondContact O-N 3.33Å; Y116-R273 VanDerWaalsContact CE1-NH2 3.31Å; Y116-R273 HydrophobicContact CE2-CB 4.14Å; Y116-R273 WeakPolarHBondContact CE2-O 3.22Å; Y116-E274 PolarHBondContact OH-OE1 2.95Å; Y116-N277 HydrophobicContact CD2-CB 4.15Å; Y116-N277 HydrophobicContact CE2-CB 4.35Å
117	G	97.6	Very high	98.4	Very high	46 Å²	46	24.4 Å²	24.4	47%	0.474	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.5	-9.5	-179.3	0	0	0	0	0	115.1	D78 K114 I115	D78-G117 PolarHBondContact OD2-N 3.05Å; K114-G117 WeakPolarHBondContact CD-O 3.42Å; I115-G117 PolarHBondContact O-N 3.1Å
118	R	97.9	Very high	98.5	Very high	46 Å²	46	24.5 Å²	24.5	17%	0.174	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	136.8	-173.1	-57.7	165.8	59.7	-147.4	-3	111.3	K114 I115 Y116 M276 L279 L281	K114-R118 CarbonylContact C-O 3.59Å; K114-R118 WeakPolarHBondContact CA-O 3.1Å; I115-R118 PolarHBondContact N-O 3.01Å; I115-R118 WeakPolarHBondContact O-CB 3.33Å; I115-R118 PolarHBondContact O-N 2.91Å; Y116-R118 PolarHBondContact O-N 3.33Å; R118-M276 PolarHBondContact NH1-O 3.47Å; R118-L279 PolarHBondContact NH1-O 2.73Å; R118-L279 PolarHBondContact NH2-O 3.19Å; R118-L281 HydrophobicContact CB-CD2 4.11Å
119	P	98.3	Very high	98.4	Very high	47 Å²	47	24.5 Å²	24.5	31%	0.305	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	140.1	-173.8	29.4	-36.1	0	0	0	112.5	W112 G113 A154 L281	W112-P119 HydrophobicContact CE3-CB 4.49Å; G113-P119 WeakPolarHBondContact O-CA 3.12Å; P119-A154 HydrophobicContact CB-CB 4.35Å; P119-A154 HydrophobicContact CG-CB 4.37Å; P119-L281 HydrophobicContact CG-CD1 4.07Å
120	C	98.8	Very high	98.3	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.02	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	141.4	173.4	-176.7	0	0	0	0	110.3	F77 W112 G113 I115 I157	F77-C120 HydrophobicContact CE1-CB 4.01Å; F77-C120 WeakPolarHBondContact CZ-O 3.05Å; W112-C120 VanDerWaalsContact CA-O 3.31Å; W112-C120 WeakPolarHBondContact CA-O 3.28Å; G113-C120 PolarHBondContact N-O 3.06Å; G113-C120 PolarHBondContact O-N 3.37Å; I115-C120 HydrophobicContact CD1-CB 4.38Å; C120-I157 VanDerWaalsContact SG-CD1 3.55Å
121	F	98.9	Very high	98.2	Very high	12 Å²	12	27.6 Å²	27.6	5%	0.053	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	150.3	173.5	-73	-99.5	0	0	0	110.6	Y85 G111 W112 I145 Q148 A149 V152 A154 P155 V156 I157	Y85-F121 HydrophobicContact CE2-CE1 4.5Å; G111-F121 WeakPolarHBondContact O-CA 3.06Å; W112-F121 HydrophobicContact CB-CD1 3.73Å; W112-F121 HydrophobicContact CB-CD2 4.35Å; W112-F121 HydrophobicContact CB-CE1 3.81Å; W112-F121 HydrophobicContact CB-CE2 4.38Å; W112-F121 HydrophobicContact CB-CG 4.03Å; W112-F121 HydrophobicContact CB-CZ 4.14Å; W112-F121 HydrophobicContact CG-CE1 4.38Å; F121-I145 HydrophobicContact CD1-CB 3.86Å; F121-I145 HydrophobicContact CD1-CG2 4.23Å; F121-Q148 HydrophobicContact CD1-CB 4.39Å; F121-Q148 HydrophobicContact CE1-CB 3.53Å; F121-Q148 HydrophobicContact CZ-CB 3.72Å; F121-A149 HydrophobicContact CB-CB 4.03Å; F121-A149 HydrophobicContact CD2-CB 3.5Å; F121-A149 HydrophobicContact CE2-CB 4.1Å; F121-A149 HydrophobicContact CG-CB 3.77Å; F121-V152 HydrophobicContact CE2-CG2 3.63Å; F121-V152 HydrophobicContact CZ-CG2 4.17Å; F121-A154 HydrophobicContact CD2-CB 3.96Å; F121-A154 HydrophobicContact CE2-CB 3.99Å; F121-P155 PolarHBondContact N-O 2.89Å; F121-V156 HydrophobicContact CB-CB 4.43Å; F121-V156 HydrophobicContact CB-CG2 4.3Å; F121-V156 WeakPolarHBondContact O-CA 3.49Å; F121-I157 PolarHBondContact O-N 2.84Å
122	V	98.9	Very high	98.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	141.3	177.2	73.8	0	0	0	0	112	I73 L76 F77 F82 T110 G111 I145 I157 L159	I73-V122 HydrophobicContact CD1-CG1 4.05Å; I73-V122 HydrophobicContact CG1-CG1 4.03Å; I73-V122 HydrophobicContact CG1-CG2 4.43Å; I73-V122 HydrophobicContact CG2-CG1 4.4Å; L76-V122 HydrophobicContact CD2-CG2 4.1Å; F77-V122 HydrophobicContact CE2-CB 4.02Å; F77-V122 HydrophobicContact CE2-CG1 3.39Å; F77-V122 HydrophobicContact CZ-CB 3.73Å; F77-V122 HydrophobicContact CZ-CG1 3.64Å; F82-V122 HydrophobicContact CE2-CG1 3.94Å; T110-V122 WeakPolarHBondContact CA-O 3.49Å; G111-V122 PolarHBondContact N-O 2.88Å; G111-V122 PolarHBondContact O-N 3Å; V122-I145 WeakPolarHBondContact O-CD1 3.41Å; V122-I157 VanDerWaalsContact CA-O 3.27Å; V122-I157 WeakPolarHBondContact CA-O 3.48Å; V122-I157 HydrophobicContact CG2-CB 4.34Å; V122-I157 HydrophobicContact CG2-CG2 4.42Å; V122-I157 WeakPolarHBondContact CG2-O 3.36Å; V122-L159 HydrophobicContact CG2-CD1 4.1Å; V122-L159 HydrophobicContact CG2-CG 4.09Å
123	F	98.9	Very high	98	Very high	9 Å²	9	24.8 Å²	24.8	4%	0.039	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	138.6	154.1	61	-85.9	0	0	0	110	V108 V109 T110 I142 I145 V156 I157 G158 L159	V108-F123 HydrophobicContact CG2-CB 3.91Å; V109-F123 CarbonylContact O-C 3.56Å; V109-F123 WeakPolarHBondContact O-CA 3.34Å; T110-F123 HydrophobicContact CG2-CB 3.87Å; F123-I142 HydrophobicContact CB-CD1 4.44Å; F123-I142 HydrophobicContact CB-CG1 3.92Å; F123-I142 HydrophobicContact CD1-CG1 4.5Å; F123-I142 HydrophobicContact CD1-CG2 3.9Å; F123-I142 HydrophobicContact CD2-CD1 3.72Å; F123-I142 HydrophobicContact CD2-CG1 4.09Å; F123-I142 HydrophobicContact CE1-CG2 3.99Å; F123-I142 HydrophobicContact CE2-CD1 4.06Å; F123-I142 HydrophobicContact CG-CD1 4.1Å; F123-I142 HydrophobicContact CG-CG1 3.95Å; F123-I142 HydrophobicContact CG-CG2 4.19Å; F123-I142 HydrophobicContact CZ-CG2 4.36Å; F123-I145 HydrophobicContact CB-CD1 3.79Å; F123-I145 HydrophobicContact CD1-CD1 4.13Å; F123-I145 HydrophobicContact CG-CD1 4.47Å; F123-V156 HydrophobicContact CD1-CG2 4.32Å; F123-V156 HydrophobicContact CE1-CG2 4.39Å; F123-I157 PolarHBondContact N-O 3.28Å; F123-G158 VanDerWaalsContact CE1-CA 3.43Å; F123-L159 PolarHBondContact O-N 3.42Å
124	S	98.8	Very high	98	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	114.5	179.4	-169	0	0	0	0	109.2	A69 V108 V109	A69-S124 VanDerWaalsContact CA-OG 3.27Å; A69-S124 WeakPolarHBondContact CA-OG 3.44Å; A69-S124 WeakPolarHBondContact CB-OG 3.48Å; A69-S124 WeakPolarHBondContact O-CB 3.44Å; A69-S124 PolarHBondContact O-OG 2.87Å; V108-S124 WeakPolarHBondContact CA-O 3.06Å; V109-S124 PolarHBondContact N-O 3.11Å; V109-S124 PolarHBondContact O-N 3.25Å
125	Q	98.7	Very high	97.9	Very high	8 Å²	8	21 Å²	21	4%	0.037	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	129.3	-174.5	-64.8	-177.2	-44.8	0	0	110.5	V108 F127 H138 L159 N160	V108-Q125 HydrophobicContact CG2-CG 4.37Å; Q125-F127 PolarHBondContact O-N 3.39Å; Q125-H138 PolarHBondContact NE2-NE2 2.91Å; Q125-H138 VanDerWaalsContact NE2-NE2 3.11Å; Q125-L159 PolarHBondContact N-O 2.93Å; Q125-N160 VanDerWaalsContact OE1-CA 3.31Å
126	D	98.5	Very high	97.9	Very high	16 Å²	16	22.5 Å²	22.5	9%	0.086	12%	0.123	C	C	.	.			trans	-95.1	95.7	-178.8	-176.2	1.3	0	0	0	110.5	G52 A69 S107 T128 V129 G132	G52-D126 WeakPolarHBondContact CA-OD2 3.42Å; A69-D126 HydrophobicContact CB-CB 3.87Å; S107-D126 PolarHBondContact O-N 3.09Å; D126-T128 PolarHBondContact O-N 3.47Å; D126-T128 VanDerWaalsContact O-N 3.12Å; D126-T128 WeakPolarHBondContact OD1-CA 3.45Å; D126-T128 VanDerWaalsContact OD1-CB 3.25Å; D126-T128 WeakPolarHBondContact OD1-CB 3.31Å; D126-T128 WeakPolarHBondContact OD1-CG2 3.5Å; D126-T128 PolarHBondContact OD1-N 2.87Å; D126-T128 PolarHBondContact OD1-OG1 3.48Å; D126-T128 PolarHBondContact OD2-OG1 3.11Å; D126-T128 VanDerWaalsContact OD2-OG1 3.12Å; D126-V129 PolarHBondContact O-N 3.29Å; D126-V129 WeakPolarHBondContact OD2-CG2 3.42Å; D126-G132 WeakPolarHBondContact O-CA 3.27Å; D126-G132 PolarHBondContact O-N 2.89Å
127	F	98.1	Very high	97.9	Very high	55 Å²	55	18.3 Å²	18.3	24%	0.241	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-24.9	176.6	-164.8	-100.2	0	0	0	113.2	Q125 V129 G131 D161 P200	Q125-F127 PolarHBondContact O-N 3.39Å; F127-V129 PolarHBondContact O-N 2.91Å; F127-G131 WeakPolarHBondContact CD2-O 3.46Å; F127-G131 WeakPolarHBondContact CE2-O 3.27Å; F127-G131 WeakPolarHBondContact O-CA 3.37Å; F127-G131 PolarHBondContact O-N 3.41Å; F127-D161 HydrophobicContact CB-CB 4.5Å; F127-D161 WeakPolarHBondContact CD2-OD1 3.38Å; F127-P200 HydrophobicContact CD2-CG 4.5Å; F127-P200 HydrophobicContact CE2-CG 3.84Å; F127-P200 HydrophobicContact CZ-CG 4.36Å
128	T	97.9	Very high	98	Very high	5 Å²	5	16.1 Å²	16.1	3%	0.031	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-24.8	178.4	77.3	0	0	0	0	112	G53 R57 I58 D126	G53-T128 WeakPolarHBondContact CA-O 3.43Å; G53-T128 WeakPolarHBondContact CA-OG1 3.19Å; G53-T128 PolarHBondContact N-OG1 3.11Å; R57-T128 HydrophobicContact CB-CG2 4.07Å; R57-T128 WeakPolarHBondContact CD-O 3.07Å; R57-T128 PolarHBondContact NH1-O 2.93Å; I58-T128 HydrophobicContact CG1-CG2 4.29Å; D126-T128 PolarHBondContact O-N 3.47Å; D126-T128 VanDerWaalsContact O-N 3.12Å; D126-T128 WeakPolarHBondContact OD1-CA 3.45Å; D126-T128 VanDerWaalsContact OD1-CB 3.25Å; D126-T128 WeakPolarHBondContact OD1-CB 3.31Å; D126-T128 WeakPolarHBondContact OD1-CG2 3.5Å; D126-T128 PolarHBondContact OD1-N 2.87Å; D126-T128 PolarHBondContact OD1-OG1 3.48Å; D126-T128 PolarHBondContact OD2-OG1 3.11Å; D126-T128 VanDerWaalsContact OD2-OG1 3.12Å
129	V	97.8	Very high	98	Very high	3 Å²	3	14 Å²	14	2%	0.018	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	113.1	177.8	179	0	0	0	0	109.6	G52 G53 F103 S107 D126 F127 G131 G132	G52-V129 VanDerWaalsContact C-CG2 3.47Å; G53-V129 VanDerWaalsContact N-CG2 3.33Å; F103-V129 HydrophobicContact CB-CG1 3.59Å; F103-V129 HydrophobicContact CB-CG2 4.18Å; F103-V129 HydrophobicContact CD1-CG2 4.24Å; F103-V129 HydrophobicContact CD2-CG1 3.75Å; F103-V129 HydrophobicContact CG-CG1 3.74Å; F103-V129 HydrophobicContact CG-CG2 4.17Å; S107-V129 WeakPolarHBondContact CB-O 3.3Å; D126-V129 PolarHBondContact O-N 3.29Å; D126-V129 WeakPolarHBondContact OD2-CG2 3.42Å; F127-V129 PolarHBondContact O-N 2.91Å; V129-G131 PolarHBondContact O-N 3.24Å; V129-G132 PolarHBondContact O-N 2.97Å
130	F	96.6	Very high	98	Very high	47 Å²	47	15.8 Å²	15.8	21%	0.206	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	47.1	32.4	-178.2	-55.9	-65.5	0	0	0	115.5	H91 M98 T101 F103 G132 S133	H91-F130 AromaticContact CD2-CE2 3.93Å; H91-F130 AromaticContact NE2-CZ 3.98Å; M98-F130 HydrophobicContact CE-CD1 4.3Å; M98-F130 HydrophobicContact CE-CE1 3.73Å; M98-F130 HydrophobicContact CE-CE2 4.02Å; M98-F130 HydrophobicContact CE-CZ 3.56Å; M98-F130 HydrophobicContact SD-CE1 4.19Å; T101-F130 HydrophobicContact CG2-CE1 4.19Å; T101-F130 HydrophobicContact CG2-CZ 4.19Å; T101-F130 WeakPolarHBondContact O-CZ 3.37Å; F103-F130 HydrophobicContact CD2-CD2 4.25Å; F103-F130 HydrophobicContact CD2-CE1 4.41Å; F103-F130 AromaticContact CD2-CE2 3.68Å; F103-F130 HydrophobicContact CD2-CE2 3.68Å; F103-F130 AromaticContact CD2-CZ 3.77Å; F103-F130 HydrophobicContact CD2-CZ 3.77Å; F103-F130 HydrophobicContact CE2-CE1 4.23Å; F103-F130 HydrophobicContact CE2-CE2 4.29Å; F103-F130 HydrophobicContact CE2-CZ 4.01Å; F130-G132 VanDerWaalsContact C-N 3.25Å; F130-G132 PolarHBondContact O-N 2.92Å; F130-S133 WeakPolarHBondContact CB-OG 3.41Å; F130-S133 VanDerWaalsContact O-CB 3.23Å; F130-S133 WeakPolarHBondContact O-CB 3.49Å; F130-S133 PolarHBondContact O-N 3.04Å; F130-S133 VanDerWaalsContact O-N 3.13Å; F130-S133 PolarHBondContact O-OG 2.92Å
131	G	96.4	Very high	98	Very high	23 Å²	23	15.8 Å²	15.8	24%	0.237	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	66.4	25.5	-177.7	0	0	0	0	0	113.6	F127 V129 S133 G163	F127-G131 WeakPolarHBondContact CD2-O 3.46Å; F127-G131 WeakPolarHBondContact CE2-O 3.27Å; F127-G131 WeakPolarHBondContact O-CA 3.37Å; F127-G131 PolarHBondContact O-N 3.41Å; V129-G131 PolarHBondContact O-N 3.24Å; G131-S133 PolarHBondContact O-N 2.77Å; G131-G163 PolarHBondContact O-N 3.12Å
132	G	97	Very high	98	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	70.1	7.7	-173.7	0	0	0	0	0	113.7	D126 V129 F130 L134 S162	D126-G132 WeakPolarHBondContact O-CA 3.27Å; D126-G132 PolarHBondContact O-N 2.89Å; V129-G132 PolarHBondContact O-N 2.97Å; F130-G132 VanDerWaalsContact C-N 3.25Å; F130-G132 PolarHBondContact O-N 2.92Å; G132-L134 PolarHBondContact O-N 2.95Å; G132-S162 VanDerWaalsContact C-OG 3.3Å; G132-S162 VanDerWaalsContact O-CB 3.27Å; G132-S162 WeakPolarHBondContact O-CB 3.37Å; G132-S162 PolarHBondContact O-OG 3.47Å
133	S	97.4	Very high	98	Very high	13 Å²	13	15.6 Å²	15.6	9%	0.091	8%	0.081	C	C	.	.			trans	-62.2	136.5	-169.3	58.6	0	0	0	0	113.1	S107 F130 G131 S135 G164 R166	S107-S133 PolarHBondContact OG-O 2.79Å; F130-S133 WeakPolarHBondContact CB-OG 3.41Å; F130-S133 VanDerWaalsContact O-CB 3.23Å; F130-S133 WeakPolarHBondContact O-CB 3.49Å; F130-S133 PolarHBondContact O-N 3.04Å; F130-S133 VanDerWaalsContact O-N 3.13Å; F130-S133 PolarHBondContact O-OG 2.92Å; G131-S133 PolarHBondContact O-N 2.77Å; S133-S135 PolarHBondContact O-N 2.74Å; S133-G164 VanDerWaalsContact CA-O 3.28Å; S133-G164 WeakPolarHBondContact CA-O 3.21Å; S133-R166 PolarHBondContact O-NE 2.82Å; S133-R166 PolarHBondContact O-NH2 2.91Å; S133-R166 VanDerWaalsContact O-NH2 3.11Å; S133-R166 PolarHBondContact OG-NE 3.08Å
134	L	97.9	Very high	98	Very high	3 Å²	3	18.9 Å²	18.9	2%	0.016	10%	0.095	C	C	.	.	B	Isolated β-bridge	trans	-81.8	116.8	-173.4	-175.1	142.1	0	0	0	111.6	G132 G164 R166 S173 Y177 I180	G132-L134 PolarHBondContact O-N 2.95Å; L134-G164 PolarHBondContact N-O 2.78Å; L134-R166 VanDerWaalsContact O-CB 3.29Å; L134-R166 WeakPolarHBondContact O-CB 3.28Å; L134-R166 PolarHBondContact O-N 3.02Å; L134-R166 VanDerWaalsContact O-N 3.07Å; L134-S173 WeakPolarHBondContact CD2-O 3.2Å; L134-S173 WeakPolarHBondContact O-CB 3.41Å; L134-S173 PolarHBondContact O-OG 2.92Å; L134-Y177 HydrophobicContact CB-CE1 4.18Å; L134-Y177 HydrophobicContact CB-CE2 4.29Å; L134-Y177 HydrophobicContact CD1-CD1 4.03Å; L134-Y177 HydrophobicContact CD1-CE1 3.69Å; L134-Y177 HydrophobicContact CD2-CD1 4.24Å; L134-Y177 HydrophobicContact CD2-CD2 4.01Å; L134-Y177 HydrophobicContact CD2-CE1 4.17Å; L134-Y177 HydrophobicContact CD2-CE2 3.97Å; L134-Y177 HydrophobicContact CD2-CG 4.14Å; L134-Y177 HydrophobicContact CG-CE1 4.23Å; L134-I180 HydrophobicContact CD1-CD1 3.66Å
135	S	97.4	Very high	98	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.095	C	C	.	.			trans	-96.9	176.6	169.8	54.7	0	0	0	0	112.3	D106 S133 V137 H138 S139 R166 E169	D106-S135 WeakPolarHBondContact OD2-CB 3.35Å; D106-S135 PolarHBondContact OD2-OG 3.31Å; S133-S135 PolarHBondContact O-N 2.74Å; S135-V137 VanDerWaalsContact C-N 3.32Å; S135-V137 PolarHBondContact O-N 3.36Å; S135-H138 WeakPolarHBondContact OG-CB 3.25Å; S135-H138 PolarHBondContact OG-N 2.86Å; S135-S139 PolarHBondContact O-N 2.84Å; S135-R166 VanDerWaalsContact CB-CZ 3.49Å; S135-R166 VanDerWaalsContact CB-NH1 3.33Å; S135-E169 VanDerWaalsContact CA-OE2 3.28Å; S135-E169 WeakPolarHBondContact CA-OE2 3.45Å; S135-E169 WeakPolarHBondContact CB-OE1 3.42Å; S135-E169 WeakPolarHBondContact CB-OE2 3.45Å
136	K	97.5	Very high	98	Very high	38 Å²	38	18.6 Å²	18.6	17%	0.165	9%	0.094	C	C	.	.	H	α-helix	trans	-63.1	-36.5	168.5	-169.9	60.1	168.8	-176.6	0	112.8	S139 Q140 E169 D172 D179	K136-S139 PolarHBondContact O-OG 2.82Å; K136-Q140 WeakPolarHBondContact O-CB 3.49Å; K136-Q140 WeakPolarHBondContact O-CG 3.01Å; K136-Q140 PolarHBondContact O-N 3.03Å; K136-Q140 VanDerWaalsContact O-N 3.09Å; K136-E169 PolarHBondContact N-OE2 3.38Å; K136-D172 HydrophobicContact CB-CB 4.15Å; K136-D179 IonicContact NZ-OD2 2.78Å; K136-D179 PolarHBondContact NZ-OD2 3.03Å
137	V	97.7	Very high	98	Very high	11 Å²	11	21.8 Å²	21.8	7%	0.067	11%	0.108	C	C	.	.	H	α-helix	trans	-77.4	-39.3	-178.6	169.5	0	0	0	0	111.3	V89 D106 S135 S139 Q140 K141	V89-V137 HydrophobicContact CB-CG1 4.03Å; V89-V137 HydrophobicContact CG2-CG1 3.55Å; D106-V137 HydrophobicContact CB-CG1 4.14Å; D106-V137 WeakPolarHBondContact OD2-CB 3.46Å; S135-V137 VanDerWaalsContact C-N 3.32Å; S135-V137 PolarHBondContact O-N 3.36Å; V137-S139 VanDerWaalsContact C-N 3.33Å; V137-S139 PolarHBondContact O-N 3.12Å; V137-Q140 PolarHBondContact O-N 2.89Å; V137-K141 PolarHBondContact O-N 3.17Å; V137-K141 VanDerWaalsContact O-N 3.08Å
138	H	98.2	Very high	98	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-53.2	-49.3	168.2	-178.9	127.3	0	0	0	111.1	D106 S107 V108 Q125 S135 Q140 K141 I142	D106-H138 WeakPolarHBondContact O-CB 3.42Å; D106-H138 PolarHBondContact O-ND1 2.9Å; D106-H138 PolarHBondContact OD2-N 2.61Å; S107-H138 PolarHBondContact O-CE1 3.22Å; S107-H138 PolarHBondContact OG-ND1 3.12Å; V108-H138 HydrophobicContact CG1-CB 4.19Å; Q125-H138 PolarHBondContact NE2-NE2 2.91Å; Q125-H138 VanDerWaalsContact NE2-NE2 3.11Å; S135-H138 WeakPolarHBondContact OG-CB 3.25Å; S135-H138 PolarHBondContact OG-N 2.86Å; H138-Q140 VanDerWaalsContact C-N 3.34Å; H138-Q140 PolarHBondContact O-N 3.5Å; H138-K141 PolarHBondContact O-N 3.17Å; H138-I142 PolarHBondContact O-N 3.33Å
139	S	98.3	Very high	98.1	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-65.3	-37.3	179.7	79.5	0	0	0	0	112.6	S135 K136 V137 K141 I142 C143 G176	S135-S139 PolarHBondContact O-N 2.84Å; K136-S139 PolarHBondContact O-OG 2.82Å; V137-S139 VanDerWaalsContact C-N 3.33Å; V137-S139 PolarHBondContact O-N 3.12Å; S139-K141 VanDerWaalsContact C-N 3.32Å; S139-K141 PolarHBondContact O-N 2.95Å; S139-I142 PolarHBondContact O-N 3.26Å; S139-C143 WeakPolarHBondContact O-CB 3.43Å; S139-C143 PolarHBondContact O-N 3.22Å; S139-C143 PolarHBondContact O-SG 2.9Å; S139-G176 VanDerWaalsContact CB-CA 3.4Å; S139-G176 VanDerWaalsContact CB-O 3.3Å; S139-G176 WeakPolarHBondContact CB-O 3.17Å; S139-G176 WeakPolarHBondContact OG-CA 3.28Å
140	Q	98.5	Very high	98.1	Very high	86 Å²	86	24.2 Å²	24.2	40%	0.402	12%	0.12	S	C	.	.	H	α-helix	trans	-62.4	-36.5	176.2	-76.6	176.7	-38.5	0	0	112.6	K136 V137 H138 K144	K136-Q140 WeakPolarHBondContact O-CB 3.49Å; K136-Q140 WeakPolarHBondContact O-CG 3.01Å; K136-Q140 PolarHBondContact O-N 3.03Å; K136-Q140 VanDerWaalsContact O-N 3.09Å; V137-Q140 PolarHBondContact O-N 2.89Å; H138-Q140 VanDerWaalsContact C-N 3.34Å; H138-Q140 PolarHBondContact O-N 3.5Å; Q140-K144 WeakPolarHBondContact O-CB 3.42Å; Q140-K144 PolarHBondContact O-N 3.1Å
141	K	98.7	Very high	98.2	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.009	15%	0.146	C	C	.	.	H	α-helix	trans	-62.8	-48.8	172.9	-67.8	-177.1	61.4	156.8	0	111.9	D86 V89 G105 V108 T110 V137 H138 S139 K144 I145	D86-K141 HydrophobicContact CB-CD 3.95Å; D86-K141 HydrophobicContact CB-CG 3.84Å; D86-K141 PolarHBondContact O-NZ 3.04Å; V89-K141 HydrophobicContact CG2-CD 3.65Å; V89-K141 HydrophobicContact CG2-CG 4.05Å; G105-K141 VanDerWaalsContact O-CD 3.29Å; G105-K141 WeakPolarHBondContact O-CD 3.41Å; G105-K141 PolarHBondContact O-NZ 3.16Å; V108-K141 HydrophobicContact CG1-CB 4.02Å; V108-K141 HydrophobicContact CG1-CD 3.81Å; V108-K141 HydrophobicContact CG1-CG 4.47Å; V108-K141 VanDerWaalsContact O-CE 3.25Å; V108-K141 WeakPolarHBondContact O-CE 3.48Å; V108-K141 PolarHBondContact O-NZ 2.67Å; T110-K141 HydrophobicContact CG2-CB 3.77Å; T110-K141 WeakPolarHBondContact OG1-CE 3.41Å; V137-K141 PolarHBondContact O-N 3.17Å; V137-K141 VanDerWaalsContact O-N 3.08Å; H138-K141 PolarHBondContact O-N 3.17Å; S139-K141 VanDerWaalsContact C-N 3.32Å; S139-K141 PolarHBondContact O-N 2.95Å; K141-K144 PolarHBondContact O-N 2.93Å; K141-I145 PolarHBondContact O-N 2.77Å
142	I	98.8	Very high	98.3	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.01	16%	0.163	C	C	.	.	H	α-helix	trans	-61.2	-46.7	177.6	-63.4	177.8	0	0	0	110.3	V108 T110 F123 H138 S139 K144 I145 M146 I180	V108-I142 HydrophobicContact CG2-CD1 4.33Å; V108-I142 HydrophobicContact CG2-CG1 4.18Å; T110-I142 HydrophobicContact CG2-CG1 4.48Å; F123-I142 HydrophobicContact CB-CD1 4.44Å; F123-I142 HydrophobicContact CB-CG1 3.92Å; F123-I142 HydrophobicContact CD1-CG1 4.5Å; F123-I142 HydrophobicContact CD1-CG2 3.9Å; F123-I142 HydrophobicContact CD2-CD1 3.72Å; F123-I142 HydrophobicContact CD2-CG1 4.09Å; F123-I142 HydrophobicContact CE1-CG2 3.99Å; F123-I142 HydrophobicContact CE2-CD1 4.06Å; F123-I142 HydrophobicContact CG-CD1 4.1Å; F123-I142 HydrophobicContact CG-CG1 3.95Å; F123-I142 HydrophobicContact CG-CG2 4.19Å; F123-I142 HydrophobicContact CZ-CG2 4.36Å; H138-I142 PolarHBondContact O-N 3.33Å; S139-I142 PolarHBondContact O-N 3.26Å; I142-K144 VanDerWaalsContact C-N 3.33Å; I142-K144 PolarHBondContact O-N 3.21Å; I142-I145 WeakPolarHBondContact O-CG1 3.37Å; I142-I145 PolarHBondContact O-N 3.03Å; I142-M146 HydrophobicContact CG2-CG 4.33Å; I142-M146 HydrophobicContact CG2-SD 3.8Å; I142-M146 WeakPolarHBondContact O-CG 3.31Å; I142-M146 PolarHBondContact O-N 3.02Å; I142-I180 HydrophobicContact CB-CD1 4.09Å; I142-I180 HydrophobicContact CB-CG1 4.33Å; I142-I180 HydrophobicContact CD1-CD1 3.95Å; I142-I180 HydrophobicContact CG2-CD1 3.99Å; I142-I180 HydrophobicContact CG2-CG1 4.04Å; I142-I180 HydrophobicContact CG2-CG2 4.38Å
143	C	98.8	Very high	98.3	Very high	6 Å²	6	31.9 Å²	31.9	4%	0.041	17%	0.169	C	C	.	.	H	α-helix	trans	-57.7	-43	178.7	-71.8	0	0	0	0	112.8	S139 M146 E147 R183	S139-C143 WeakPolarHBondContact O-CB 3.43Å; S139-C143 PolarHBondContact O-N 3.22Å; S139-C143 PolarHBondContact O-SG 2.9Å; C143-M146 PolarHBondContact O-N 3.28Å; C143-E147 WeakPolarHBondContact O-CG 3.37Å; C143-E147 PolarHBondContact O-N 2.79Å; C143-R183 PolarHBondContact SG-NH1 2.81Å
144	K	98.8	Very high	98.4	Very high	79 Å²	79	31.3 Å²	31.3	34%	0.343	17%	0.165	S	C	.	.	H	α-helix	trans	-58.8	-48.7	178.1	179.7	-175.3	-65.1	179.6	0	111.9	D86 Q140 K141 I142 E147 Q148	D86-K144 IonicContact OD1-NZ 2.79Å; D86-K144 PolarHBondContact OD1-NZ 3.05Å; D86-K144 WeakPolarHBondContact OD2-CD 3.28Å; D86-K144 VanDerWaalsContact OD2-CE 3.28Å; D86-K144 WeakPolarHBondContact OD2-CE 3.27Å; D86-K144 IonicContact OD2-NZ 2.69Å; D86-K144 PolarHBondContact OD2-NZ 3.31Å; Q140-K144 WeakPolarHBondContact O-CB 3.42Å; Q140-K144 PolarHBondContact O-N 3.1Å; K141-K144 PolarHBondContact O-N 2.93Å; I142-K144 VanDerWaalsContact C-N 3.33Å; I142-K144 PolarHBondContact O-N 3.21Å; K144-E147 PolarHBondContact O-N 2.75Å; K144-Q148 WeakPolarHBondContact O-CG 3.45Å; K144-Q148 PolarHBondContact O-N 3.37Å
145	I	98.7	Very high	98.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-70.4	-31.9	-179.5	61.6	164.7	0	0	0	112.5	Y85 T110 F121 V122 F123 K141 I142 Q148 A149	Y85-I145 HydrophobicContact CD2-CG2 4.16Å; T110-I145 HydrophobicContact CG2-CD1 4.11Å; F121-I145 HydrophobicContact CD1-CB 3.86Å; F121-I145 HydrophobicContact CD1-CG2 4.23Å; V122-I145 WeakPolarHBondContact O-CD1 3.41Å; F123-I145 HydrophobicContact CB-CD1 3.79Å; F123-I145 HydrophobicContact CD1-CD1 4.13Å; F123-I145 HydrophobicContact CG-CD1 4.47Å; K141-I145 PolarHBondContact O-N 2.77Å; I142-I145 WeakPolarHBondContact O-CG1 3.37Å; I142-I145 PolarHBondContact O-N 3.03Å; I145-Q148 PolarHBondContact O-N 3.04Å; I145-A149 VanDerWaalsContact O-CB 3.23Å; I145-A149 WeakPolarHBondContact O-CB 3.29Å; I145-A149 PolarHBondContact O-N 2.87Å
146	M	98.9	Very high	98.5	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.01	17%	0.165	C	C	.	.	H	α-helix	trans	-66.8	-39.9	175.1	-68.5	176.8	80.5	0	0	111.7	I142 C143 A149 M150 V156 I180 R183 N184	I142-M146 HydrophobicContact CG2-CG 4.33Å; I142-M146 HydrophobicContact CG2-SD 3.8Å; I142-M146 WeakPolarHBondContact O-CG 3.31Å; I142-M146 PolarHBondContact O-N 3.02Å; C143-M146 PolarHBondContact O-N 3.28Å; M146-A149 PolarHBondContact O-N 2.94Å; M146-M150 WeakPolarHBondContact O-CG 3.44Å; M146-M150 PolarHBondContact O-N 2.81Å; M146-V156 HydrophobicContact CG-CG2 4.36Å; M146-I180 HydrophobicContact SD-CG2 4.15Å; M146-R183 HydrophobicContact CB-CB 4.19Å; M146-R183 HydrophobicContact CE-CB 3.69Å; M146-R183 HydrophobicContact SD-CB 3.95Å; M146-N184 HydrophobicContact CE-CB 4.36Å; M146-N184 VanDerWaalsContact CE-ND2 3.3Å; M146-N184 WeakPolarHBondContact CE-ND2 3.44Å
147	E	98.6	Very high	98.6	Very high	83 Å²	83	29.6 Å²	29.6	39%	0.388	16%	0.157	S	C	.	.	H	α-helix	trans	-63	-43.9	172.7	-74.5	170.1	-176.6	0	0	111.9	C143 K144 M150 T151 R183	C143-E147 WeakPolarHBondContact O-CG 3.37Å; C143-E147 PolarHBondContact O-N 2.79Å; K144-E147 PolarHBondContact O-N 2.75Å; E147-M150 HydrophobicContact CG-CE 4.49Å; E147-M150 PolarHBondContact O-N 2.98Å; E147-T151 WeakPolarHBondContact O-CB 3.42Å; E147-T151 PolarHBondContact O-N 2.99Å; E147-T151 PolarHBondContact O-OG1 3.48Å; E147-R183 IonicContact OE1-CZ 2.78Å; E147-R183 IonicContact OE1-NE 2.67Å; E147-R183 PolarHBondContact OE1-NE 3.09Å; E147-R183 IonicContact OE1-NH2 3.32Å; E147-R183 PolarHBondContact OE1-NH2 2.8Å
148	Q	98.6	Very high	98.6	Very high	63 Å²	63	29.1 Å²	29.1	29%	0.294	16%	0.155	S	C	.	.	H	α-helix	trans	-64.5	-43.5	176.6	-71.4	173.5	-25	0	0	111.7	F121 K144 I145 M150 T151 V152	F121-Q148 HydrophobicContact CD1-CB 4.39Å; F121-Q148 HydrophobicContact CE1-CB 3.53Å; F121-Q148 HydrophobicContact CZ-CB 3.72Å; K144-Q148 WeakPolarHBondContact O-CG 3.45Å; K144-Q148 PolarHBondContact O-N 3.37Å; I145-Q148 PolarHBondContact O-N 3.04Å; Q148-M150 PolarHBondContact O-N 3.39Å; Q148-T151 WeakPolarHBondContact O-CB 3.41Å; Q148-T151 PolarHBondContact O-N 3.34Å; Q148-T151 VanDerWaalsContact O-N 3.11Å; Q148-V152 PolarHBondContact O-N 3.4Å
149	A	98.8	Very high	98.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-57.4	-48.7	175.6	0	0	0	0	0	111.9	F121 I145 M146 T151 G153 A154 V156 I191	F121-A149 HydrophobicContact CB-CB 4.03Å; F121-A149 HydrophobicContact CD2-CB 3.5Å; F121-A149 HydrophobicContact CE2-CB 4.1Å; F121-A149 HydrophobicContact CG-CB 3.77Å; I145-A149 VanDerWaalsContact O-CB 3.23Å; I145-A149 WeakPolarHBondContact O-CB 3.29Å; I145-A149 PolarHBondContact O-N 2.87Å; M146-A149 PolarHBondContact O-N 2.94Å; A149-T151 VanDerWaalsContact C-N 3.32Å; A149-T151 PolarHBondContact O-N 3.35Å; A149-G153 WeakPolarHBondContact O-CA 3.46Å; A149-G153 PolarHBondContact O-N 3.44Å; A149-A154 PolarHBondContact O-N 3.09Å; A149-V156 HydrophobicContact CB-CB 4.35Å; A149-I191 HydrophobicContact CB-CD1 3.6Å
150	M	98.4	Very high	98.7	Very high	51 Å²	51	29.3 Å²	29.3	25%	0.251	16%	0.156	S	C	.	.	H	α-helix	trans	-63.1	-36.5	174	-72.5	-173.8	-69.9	0	0	112.5	M146 E147 Q148 R183 M186 A187 I191	M146-M150 WeakPolarHBondContact O-CG 3.44Å; M146-M150 PolarHBondContact O-N 2.81Å; E147-M150 HydrophobicContact CG-CE 4.49Å; E147-M150 PolarHBondContact O-N 2.98Å; Q148-M150 PolarHBondContact O-N 3.39Å; M150-R183 HydrophobicContact CE-CG 4.49Å; M150-M186 HydrophobicContact SD-CB 4.26Å; M150-A187 HydrophobicContact CG-CB 3.91Å; M150-A187 HydrophobicContact SD-CB 3.71Å; M150-I191 HydrophobicContact CG-CD1 3.86Å; M150-I191 HydrophobicContact CG-CG1 4.19Å
151	T	98.4	Very high	98.7	Very high	121 Å²	121	25.2 Å²	25.2	74%	0.742	14%	0.137	S	C	*	.	H	α-helix	trans	-68.2	-41	-178.1	-60.5	0	0	0	0	112.2	E147 Q148 A149	E147-T151 WeakPolarHBondContact O-CB 3.42Å; E147-T151 PolarHBondContact O-N 2.99Å; E147-T151 PolarHBondContact O-OG1 3.48Å; Q148-T151 WeakPolarHBondContact O-CB 3.41Å; Q148-T151 PolarHBondContact O-N 3.34Å; Q148-T151 VanDerWaalsContact O-N 3.11Å; A149-T151 VanDerWaalsContact C-N 3.32Å; A149-T151 PolarHBondContact O-N 3.35Å
152	V	98.2	Very high	98.6	Very high	97 Å²	97	25.1 Å²	25.1	59%	0.588	14%	0.137	S	C	*	.	H	α-helix	trans	-93.3	-8	179.5	-51.7	0	0	0	0	113.6	F121 Q148 A154	F121-V152 HydrophobicContact CE2-CG2 3.63Å; F121-V152 HydrophobicContact CZ-CG2 4.17Å; Q148-V152 PolarHBondContact O-N 3.4Å; V152-A154 HydrophobicContact CG2-CB 3.83Å
153	G	98.4	Very high	98.3	Very high	12 Å²	12	27.3 Å²	27.3	12%	0.124	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	45.3	-177.9	0	0	0	0	0	113.2	A149 L281 N282	A149-G153 WeakPolarHBondContact O-CA 3.46Å; A149-G153 PolarHBondContact O-N 3.44Å; G153-L281 CarbonylContact O-C 3.59Å; G153-L281 WeakPolarHBondContact O-CB 3.39Å; G153-N282 WeakPolarHBondContact O-CB 3.25Å; G153-N282 PolarHBondContact O-ND2 3.05Å
154	A	98.6	Very high	98.1	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.008	16%	0.158	C	C	.	.			trans	-115.7	151	176.6	0	0	0	0	0	111.6	P119 F121 A149 V152 I191	P119-A154 HydrophobicContact CB-CB 4.35Å; P119-A154 HydrophobicContact CG-CB 4.37Å; F121-A154 HydrophobicContact CD2-CB 3.96Å; F121-A154 HydrophobicContact CE2-CB 3.99Å; A149-A154 PolarHBondContact O-N 3.09Å; V152-A154 HydrophobicContact CG2-CB 3.83Å; A154-I191 WeakPolarHBondContact O-CB 3.3Å; A154-I191 VanDerWaalsContact O-CD1 3.31Å; A154-I191 WeakPolarHBondContact O-CD1 3.14Å; A154-I191 WeakPolarHBondContact O-CG2 3.23Å
155	P	98.8	Very high	98.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	16%	0.158	C	C	.	.			trans	-61.8	160.6	175	-20.9	32.6	0	0	0	113.1	F121 P192 M276 L281	F121-P155 PolarHBondContact N-O 2.89Å; P155-P192 VanDerWaalsContact CA-O 3.31Å; P155-P192 WeakPolarHBondContact CA-O 3.26Å; P155-P192 HydrophobicContact CB-CB 4.21Å; P155-P192 HydrophobicContact CB-CG 4.4Å; P155-P192 WeakPolarHBondContact CB-O 3.25Å; P155-P192 HydrophobicContact CG-CB 4.48Å; P155-P192 HydrophobicContact CG-CG 4.17Å; P155-M276 HydrophobicContact CB-CE 3.57Å; P155-M276 HydrophobicContact CG-CE 3.66Å; P155-L281 WeakPolarHBondContact CD-O 3.41Å; P155-L281 HydrophobicContact CG-CD2 3.96Å
156	V	98.9	Very high	98	Very high	5 Å²	5	25.3 Å²	25.3	3%	0.03	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	130.3	171	61.7	0	0	0	0	111.2	F121 F123 M146 A149 I191 P192 Q193 I194	F121-V156 HydrophobicContact CB-CB 4.43Å; F121-V156 HydrophobicContact CB-CG2 4.3Å; F121-V156 WeakPolarHBondContact O-CA 3.49Å; F123-V156 HydrophobicContact CD1-CG2 4.32Å; F123-V156 HydrophobicContact CE1-CG2 4.39Å; M146-V156 HydrophobicContact CG-CG2 4.36Å; A149-V156 HydrophobicContact CB-CB 4.35Å; V156-I191 HydrophobicContact CG1-CD1 4.11Å; V156-P192 PolarHBondContact N-O 2.93Å; V156-Q193 HydrophobicContact CG1-CB 4.34Å; V156-Q193 HydrophobicContact CG1-CG 3.85Å; V156-I194 PolarHBondContact O-N 3.09Å
157	I	98.9	Very high	97.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	127.2	176.7	-62.9	170.7	0	0	0	109.2	L76 I115 C120 F121 V122 F123 L159 I194 V196 L272 M276	L76-I157 HydrophobicContact CD1-CD1 4.27Å; L76-I157 HydrophobicContact CD2-CB 4.44Å; L76-I157 HydrophobicContact CD2-CD1 3.98Å; L76-I157 HydrophobicContact CD2-CG2 3.99Å; I115-I157 HydrophobicContact CD1-CD1 3.74Å; C120-I157 VanDerWaalsContact SG-CD1 3.55Å; F121-I157 PolarHBondContact O-N 2.84Å; V122-I157 VanDerWaalsContact CA-O 3.27Å; V122-I157 WeakPolarHBondContact CA-O 3.48Å; V122-I157 HydrophobicContact CG2-CB 4.34Å; V122-I157 HydrophobicContact CG2-CG2 4.42Å; V122-I157 WeakPolarHBondContact CG2-O 3.36Å; F123-I157 PolarHBondContact N-O 3.28Å; I157-L159 HydrophobicContact CG2-CD2 3.6Å; I157-L159 HydrophobicContact CG2-CG 4.23Å; I157-I194 CarbonylContact C-O 3.56Å; I157-I194 WeakPolarHBondContact CA-O 3.44Å; I157-I194 HydrophobicContact CG1-CB 4.36Å; I157-I194 HydrophobicContact CG1-CD1 4.48Å; I157-V196 HydrophobicContact CG2-CG2 4.42Å; I157-L272 HydrophobicContact CD1-CD2 4.16Å; I157-L272 HydrophobicContact CD1-CG 4.46Å; I157-L272 HydrophobicContact CG2-CD2 3.97Å; I157-M276 HydrophobicContact CD1-CE 4.46Å; I157-M276 HydrophobicContact CD1-CG 4.23Å; I157-M276 HydrophobicContact CD1-SD 4.21Å
158	G	98.8	Very high	97.7	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	115.7	172.1	0	0	0	0	0	111.1	F123 N160 I194 S195 V196	F123-G158 VanDerWaalsContact CE1-CA 3.43Å; G158-N160 PolarHBondContact O-ND2 3.49Å; G158-I194 PolarHBondContact N-O 3.42Å; G158-S195 WeakPolarHBondContact O-CA 3.43Å; G158-V196 PolarHBondContact O-N 3.2Å
159	L	98.8	Very high	97.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	100.4	172.8	-47.9	179.7	0	0	0	107.9	R72 L76 V122 F123 Q125 I157 V196 M198 L269	R72-L159 HydrophobicContact CB-CD1 3.88Å; L76-L159 HydrophobicContact CD2-CD1 4.23Å; L76-L159 HydrophobicContact CD2-CD2 4.48Å; V122-L159 HydrophobicContact CG2-CD1 4.1Å; V122-L159 HydrophobicContact CG2-CG 4.09Å; F123-L159 PolarHBondContact O-N 3.42Å; Q125-L159 PolarHBondContact N-O 2.93Å; I157-L159 HydrophobicContact CG2-CD2 3.6Å; I157-L159 HydrophobicContact CG2-CG 4.23Å; L159-V196 HydrophobicContact CD2-CB 3.74Å; L159-V196 HydrophobicContact CD2-CG2 3.56Å; L159-M198 HydrophobicContact CB-SD 4.18Å; L159-M198 HydrophobicContact CD2-SD 4.07Å; L159-L269 HydrophobicContact CD1-CD2 4.39Å; L159-L269 HydrophobicContact CD2-CD2 4.12Å
160	N	98.7	Very high	97.5	Very high	5 Å²	5	31.5 Å²	31.5	3%	0.027	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	126.5	-167.3	-55.5	-93.1	0	0	0	110.8	Q125 G158 V196 I197 M198	Q125-N160 VanDerWaalsContact OE1-CA 3.31Å; G158-N160 PolarHBondContact O-ND2 3.49Å; N160-V196 WeakPolarHBondContact CB-O 3.45Å; N160-V196 PolarHBondContact N-O 3.4Å; N160-V196 PolarHBondContact ND2-O 3.3Å; N160-I197 HydrophobicContact CB-CD1 3.99Å; N160-M198 PolarHBondContact O-N 2.75Å
161	D	98.4	Very high	97.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	74.6	-179	-168.6	-2.5	0	0	0	108.2	Q61 K66 R72 F127 G199 P200	Q61-D161 PolarHBondContact NE2-OD2 3.44Å; K66-D161 VanDerWaalsContact CE-OD2 3.27Å; K66-D161 WeakPolarHBondContact CE-OD2 3.42Å; K66-D161 IonicContact NZ-OD1 3.52Å; K66-D161 PolarHBondContact NZ-OD1 3.01Å; K66-D161 IonicContact NZ-OD2 2.75Å; K66-D161 PolarHBondContact NZ-OD2 3.39Å; R72-D161 IonicContact CZ-OD2 3.88Å; R72-D161 IonicContact NH1-OD2 3.29Å; R72-D161 PolarHBondContact NH1-OD2 2.87Å; R72-D161 IonicContact NH2-OD2 3.25Å; F127-D161 HydrophobicContact CB-CB 4.5Å; F127-D161 WeakPolarHBondContact CD2-OD1 3.38Å; D161-G199 WeakPolarHBondContact OD1-CA 3.41Å; D161-P200 WeakPolarHBondContact OD1-CD 3.49Å
162	S	96.5	Very high	97.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	127.7	-167.4	179.5	0	0	0	0	112.4	G132 G164 P200	G132-S162 VanDerWaalsContact C-OG 3.3Å; G132-S162 VanDerWaalsContact O-CB 3.27Å; G132-S162 WeakPolarHBondContact O-CB 3.37Å; G132-S162 PolarHBondContact O-OG 3.47Å; S162-G164 PolarHBondContact O-N 3.27Å; S162-G164 PolarHBondContact OG-N 2.93Å; S162-P200 CarbonylContact C-O 3.44Å; S162-P200 PolarHBondContact N-O 2.52Å; S162-P200 CarbonylContact O-C 3.56Å; S162-P200 VanDerWaalsContact O-C 3.28Å
163	G	92.9	Very high	97.3	Very high	47 Å²	47	28.3 Å²	28.3	49%	0.485	18%	0.181	S	C	.	.			trans	-64.4	-0	171.2	0	0	0	0	0	114.9	G131	G131-G163 PolarHBondContact O-N 3.12Å
164	G	95.6	Very high	97.2	Very high	2 Å²	2	32.5 Å²	32.5	2%	0.021	20%	0.2	C	C	.	.	S	Bend	trans	106.1	-143	177	0	0	0	0	0	113.4	S133 L134 S162 Y177 A202	S133-G164 VanDerWaalsContact CA-O 3.28Å; S133-G164 WeakPolarHBondContact CA-O 3.21Å; L134-G164 PolarHBondContact N-O 2.78Å; S162-G164 PolarHBondContact O-N 3.27Å; S162-G164 PolarHBondContact OG-N 2.93Å; G164-Y177 WeakPolarHBondContact CA-OH 3.46Å; G164-Y177 PolarHBondContact O-OH 3.13Å; G164-A202 WeakPolarHBondContact CA-O 3.43Å
165	A	97.1	Very high	97.2	Very high	40 Å²	40	34.1 Å²	34.1	33%	0.331	21%	0.213	S	C	.	.	B	Isolated β-bridge	trans	-64.6	139.4	-174.5	0	0	0	0	0	112	I167 S173 Y177	A165-I167 PolarHBondContact O-N 2.64Å; A165-S173 WeakPolarHBondContact CA-OG 3.3Å; A165-S173 WeakPolarHBondContact CB-OG 3.47Å; A165-Y177 HydrophobicContact CB-CE2 3.88Å; A165-Y177 PolarHBondContact N-OH 2.99Å
166	R	97.2	Very high	97.1	Very high	1 Å²	1	34.1 Å²	34.1	0%	0.004	21%	0.213	C	C	.	.			trans	-77.5	91.5	167.3	-167.8	177.5	-62.3	171.5	1	109.3	D106 S107 S133 L134 S135 Q168 E169 S173	D106-R166 IonicContact OD1-CZ 3.64Å; D106-R166 VanDerWaalsContact OD1-CZ 3.23Å; D106-R166 IonicContact OD1-NH1 2.81Å; D106-R166 PolarHBondContact OD1-NH1 3.45Å; D106-R166 IonicContact OD1-NH2 3.67Å; D106-R166 PolarHBondContact OD1-NH2 3.28Å; D106-R166 IonicContact OD2-NH1 2.8Å; D106-R166 IonicContact OD2-NH2 3.92Å; S107-R166 PolarHBondContact OG-NH2 2.99Å; S107-R166 VanDerWaalsContact OG-NH2 3.11Å; S133-R166 PolarHBondContact O-NE 2.82Å; S133-R166 PolarHBondContact O-NH2 2.91Å; S133-R166 VanDerWaalsContact O-NH2 3.11Å; S133-R166 PolarHBondContact OG-NE 3.08Å; L134-R166 VanDerWaalsContact O-CB 3.29Å; L134-R166 WeakPolarHBondContact O-CB 3.28Å; L134-R166 PolarHBondContact O-N 3.02Å; L134-R166 VanDerWaalsContact O-N 3.07Å; S135-R166 VanDerWaalsContact CB-CZ 3.49Å; S135-R166 VanDerWaalsContact CB-NH1 3.33Å; R166-Q168 PolarHBondContact O-N 3.22Å; R166-Q168 VanDerWaalsContact O-N 3.07Å; R166-E169 HydrophobicContact CB-CG 4.49Å; R166-E169 WeakPolarHBondContact CD-OE1 3.48Å; R166-E169 HydrophobicContact CG-CG 4.22Å; R166-E169 IonicContact CZ-OE1 2.71Å; R166-E169 IonicContact NH1-OE1 2.79Å; R166-E169 PolarHBondContact NH1-OE1 2.81Å; R166-E169 VanDerWaalsContact NH1-OE1 3.1Å; R166-E169 PolarHBondContact O-N 3.04Å; R166-S173 PolarHBondContact N-OG 3.33Å
167	I	96.3	Very high	97.1	Very high	140 Å²	140	34.3 Å²	34.3	72%	0.718	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-52.3	-34.4	-174.7	-58.2	177.3	0	0	0	112.1	A165 E169 G170	A165-I167 PolarHBondContact O-N 2.64Å; I167-E169 PolarHBondContact O-N 3.22Å; I167-G170 PolarHBondContact O-N 2.93Å
168	Q	96.1	Very high	97.1	Very high	77 Å²	77	37.7 Å²	37.7	36%	0.36	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-64.5	-17.5	178.6	-60.8	78.8	5.6	0	0	114.1	C93 F96 M98 R166	C93-Q168 PolarHBondContact SG-O 3.07Å; C93-Q168 VanDerWaalsContact SG-O 3.37Å; F96-Q168 HydrophobicContact CB-CB 4.43Å; F96-Q168 HydrophobicContact CB-CG 4.1Å; F96-Q168 HydrophobicContact CD2-CB 3.95Å; F96-Q168 HydrophobicContact CD2-CG 4.25Å; F96-Q168 HydrophobicContact CG-CG 4.39Å; M98-Q168 HydrophobicContact CG-CB 3.76Å; M98-Q168 HydrophobicContact CG-CG 4.18Å; M98-Q168 HydrophobicContact SD-CB 3.99Å; M98-Q168 HydrophobicContact SD-CG 4Å; R166-Q168 PolarHBondContact O-N 3.22Å; R166-Q168 VanDerWaalsContact O-N 3.07Å
169	E	96.4	Very high	97.1	Very high	21 Å²	21	39.9 Å²	39.9	10%	0.098	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-99.6	-0.1	174.1	-55.8	-166.7	-170.2	0	0	112.5	C93 S135 K136 R166 I167 V171 D172	C93-E169 HydrophobicContact CB-CG 3.73Å; S135-E169 VanDerWaalsContact CA-OE2 3.28Å; S135-E169 WeakPolarHBondContact CA-OE2 3.45Å; S135-E169 WeakPolarHBondContact CB-OE1 3.42Å; S135-E169 WeakPolarHBondContact CB-OE2 3.45Å; K136-E169 PolarHBondContact N-OE2 3.38Å; R166-E169 HydrophobicContact CB-CG 4.49Å; R166-E169 WeakPolarHBondContact CD-OE1 3.48Å; R166-E169 HydrophobicContact CG-CG 4.22Å; R166-E169 IonicContact CZ-OE1 2.71Å; R166-E169 IonicContact NH1-OE1 2.79Å; R166-E169 PolarHBondContact NH1-OE1 2.81Å; R166-E169 VanDerWaalsContact NH1-OE1 3.1Å; R166-E169 PolarHBondContact O-N 3.04Å; I167-E169 PolarHBondContact O-N 3.22Å; E169-V171 PolarHBondContact O-N 3.07Å; E169-D172 HydrophobicContact CB-CB 4.35Å; E169-D172 WeakPolarHBondContact O-CB 3.42Å; E169-D172 PolarHBondContact O-N 3.3Å; E169-D172 VanDerWaalsContact O-N 3.09Å
170	G	95.9	Very high	97	Very high	40 Å²	40	40.1 Å²	40.1	41%	0.412	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	51	-123.9	175.7	0	0	0	0	0	113.6	I167 D172 S173	I167-G170 PolarHBondContact O-N 2.93Å; G170-D172 VanDerWaalsContact C-N 3.26Å; G170-D172 PolarHBondContact O-N 3.21Å; G170-S173 WeakPolarHBondContact O-CB 3.41Å; G170-S173 PolarHBondContact O-N 3.39Å
171	V	96.8	Very high	97	Very high	117 Å²	117	41.9 Å²	41.9	71%	0.709	26%	0.257	S	S	*	.	H	α-helix	trans	-67.6	-20.5	-176.8	-63.4	0	0	0	0	114	E169 S173 L174 A175	E169-V171 PolarHBondContact O-N 3.07Å; V171-S173 VanDerWaalsContact C-N 3.29Å; V171-S173 PolarHBondContact O-N 2.94Å; V171-L174 PolarHBondContact O-N 2.94Å; V171-A175 PolarHBondContact O-N 3.06Å
172	D	97.1	Very high	97.1	Very high	85 Å²	85	46.7 Å²	46.7	46%	0.455	28%	0.282	S	S	.	.	H	α-helix	trans	-67	-32.6	176.2	-101.3	-34.9	0	0	0	111.7	K136 E169 G170 G176	K136-D172 HydrophobicContact CB-CB 4.15Å; E169-D172 HydrophobicContact CB-CB 4.35Å; E169-D172 WeakPolarHBondContact O-CB 3.42Å; E169-D172 PolarHBondContact O-N 3.3Å; E169-D172 VanDerWaalsContact O-N 3.09Å; G170-D172 VanDerWaalsContact C-N 3.26Å; G170-D172 PolarHBondContact O-N 3.21Å; D172-G176 PolarHBondContact O-N 2.68Å
173	S	96.8	Very high	97.2	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.007	29%	0.29	C	S	.	.	H	α-helix	trans	-64.8	-43.1	170.7	-176	0	0	0	0	111.5	L134 A165 R166 G170 V171 G176 Y177	L134-S173 WeakPolarHBondContact CD2-O 3.2Å; L134-S173 WeakPolarHBondContact O-CB 3.41Å; L134-S173 PolarHBondContact O-OG 2.92Å; A165-S173 WeakPolarHBondContact CA-OG 3.3Å; A165-S173 WeakPolarHBondContact CB-OG 3.47Å; R166-S173 PolarHBondContact N-OG 3.33Å; G170-S173 WeakPolarHBondContact O-CB 3.41Å; G170-S173 PolarHBondContact O-N 3.39Å; V171-S173 VanDerWaalsContact C-N 3.29Å; V171-S173 PolarHBondContact O-N 2.94Å; S173-G176 WeakPolarHBondContact O-CA 3.23Å; S173-G176 PolarHBondContact O-N 3.5Å; S173-G176 VanDerWaalsContact O-N 3.15Å; S173-Y177 VanDerWaalsContact O-CD2 3.28Å; S173-Y177 WeakPolarHBondContact O-CD2 3.31Å; S173-Y177 PolarHBondContact O-N 3.22Å
174	L	97.1	Very high	97.5	Very high	99 Å²	99	46.8 Å²	46.8	52%	0.518	27%	0.268	S	S	.	.	H	α-helix	trans	-67.2	-38.2	177.7	-58.2	-178.6	0	0	0	112.6	V171 G176 Y177 S178	V171-L174 PolarHBondContact O-N 2.94Å; L174-G176 VanDerWaalsContact C-N 3.3Å; L174-Y177 PolarHBondContact O-N 3.17Å; L174-S178 PolarHBondContact O-N 2.84Å; L174-S178 VanDerWaalsContact O-N 3.09Å; L174-S178 PolarHBondContact O-OG 3.32Å
175	A	97.9	Very high	97.6	Very high	35 Å²	35	50.6 Å²	50.6	29%	0.289	29%	0.291	S	S	.	.	H	α-helix	trans	-62.8	-40.7	171	0	0	0	0	0	110.7	V171 S178 D179	V171-A175 PolarHBondContact O-N 3.06Å; A175-S178 WeakPolarHBondContact O-CB 3.4Å; A175-S178 PolarHBondContact O-N 2.98Å; A175-D179 PolarHBondContact O-N 3.23Å
176	G	97.9	Very high	97.7	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-61.4	-41.3	175.6	0	0	0	0	0	114	S139 D172 S173 L174 D179 I180	S139-G176 VanDerWaalsContact CB-CA 3.4Å; S139-G176 VanDerWaalsContact CB-O 3.3Å; S139-G176 WeakPolarHBondContact CB-O 3.17Å; S139-G176 WeakPolarHBondContact OG-CA 3.28Å; D172-G176 PolarHBondContact O-N 2.68Å; S173-G176 WeakPolarHBondContact O-CA 3.23Å; S173-G176 PolarHBondContact O-N 3.5Å; S173-G176 VanDerWaalsContact O-N 3.15Å; L174-G176 VanDerWaalsContact C-N 3.3Å; G176-D179 PolarHBondContact O-N 3.42Å; G176-I180 PolarHBondContact O-N 2.73Å
177	Y	98.1	Very high	97.8	Very high	10 Å²	10	54.5 Å²	54.5	4%	0.039	30%	0.304	C	S	.	.	H	α-helix	trans	-60.2	-47.5	170.7	-80.5	-60.2	0	0	0	112.3	L134 G164 A165 S173 L174 D179 I180 F181 A205	L134-Y177 HydrophobicContact CB-CE1 4.18Å; L134-Y177 HydrophobicContact CB-CE2 4.29Å; L134-Y177 HydrophobicContact CD1-CD1 4.03Å; L134-Y177 HydrophobicContact CD1-CE1 3.69Å; L134-Y177 HydrophobicContact CD2-CD1 4.24Å; L134-Y177 HydrophobicContact CD2-CD2 4.01Å; L134-Y177 HydrophobicContact CD2-CE1 4.17Å; L134-Y177 HydrophobicContact CD2-CE2 3.97Å; L134-Y177 HydrophobicContact CD2-CG 4.14Å; L134-Y177 HydrophobicContact CG-CE1 4.23Å; G164-Y177 WeakPolarHBondContact CA-OH 3.46Å; G164-Y177 PolarHBondContact O-OH 3.13Å; A165-Y177 HydrophobicContact CB-CE2 3.88Å; A165-Y177 PolarHBondContact N-OH 2.99Å; S173-Y177 VanDerWaalsContact O-CD2 3.28Å; S173-Y177 WeakPolarHBondContact O-CD2 3.31Å; S173-Y177 PolarHBondContact O-N 3.22Å; L174-Y177 PolarHBondContact O-N 3.17Å; Y177-D179 VanDerWaalsContact C-N 3.3Å; Y177-D179 PolarHBondContact O-N 2.81Å; Y177-I180 PolarHBondContact O-N 3.36Å; Y177-I180 VanDerWaalsContact O-N 3.08Å; Y177-F181 HydrophobicContact CD1-CE1 4.23Å; Y177-F181 AromaticContact CD1-CZ 3.99Å; Y177-F181 HydrophobicContact CD1-CZ 3.99Å; Y177-F181 HydrophobicContact CG-CZ 4.12Å; Y177-F181 WeakPolarHBondContact O-CD1 3.19Å; Y177-F181 WeakPolarHBondContact O-CD2 3.48Å; Y177-F181 WeakPolarHBondContact O-CG 3.3Å; Y177-F181 PolarHBondContact O-N 2.9Å; Y177-A205 VanDerWaalsContact CE1-CA 3.43Å; Y177-A205 HydrophobicContact CE1-CB 3.88Å
178	S	98.2	Very high	97.9	Very high	70 Å²	70	51 Å²	51	49%	0.49	29%	0.292	S	S	.	.	H	α-helix	trans	-60.2	-39.1	-179.6	-55	0	0	0	0	112.4	L174 A175 I180 F181 L182	L174-S178 PolarHBondContact O-N 2.84Å; L174-S178 VanDerWaalsContact O-N 3.09Å; L174-S178 PolarHBondContact O-OG 3.32Å; A175-S178 WeakPolarHBondContact O-CB 3.4Å; A175-S178 PolarHBondContact O-N 2.98Å; S178-I180 VanDerWaalsContact C-N 3.32Å; S178-I180 PolarHBondContact O-N 3.06Å; S178-F181 PolarHBondContact O-N 3.17Å; S178-L182 PolarHBondContact O-N 2.94Å; S178-L182 VanDerWaalsContact O-N 3.09Å
179	D	98.5	Very high	98	Very high	48 Å²	48	48 Å²	48	26%	0.257	28%	0.282	S	S	.	.	H	α-helix	trans	-60.6	-38.8	174.8	-73.9	-37.2	0	0	0	112.2	K136 A175 G176 Y177 R183	K136-D179 IonicContact NZ-OD2 2.78Å; K136-D179 PolarHBondContact NZ-OD2 3.03Å; A175-D179 PolarHBondContact O-N 3.23Å; G176-D179 PolarHBondContact O-N 3.42Å; Y177-D179 VanDerWaalsContact C-N 3.3Å; Y177-D179 PolarHBondContact O-N 2.81Å; D179-R183 PolarHBondContact O-N 3.03Å; D179-R183 PolarHBondContact O-NH1 2.97Å
180	I	98.7	Very high	98.1	Very high	4 Å²	4	49.5 Å²	49.5	2%	0.021	29%	0.292	C	S	.	.	H	α-helix	trans	-71.5	-47.2	177.3	-65.6	169.4	0	0	0	110.4	L134 I142 M146 G176 Y177 S178 L182 R183 N184	L134-I180 HydrophobicContact CD1-CD1 3.66Å; I142-I180 HydrophobicContact CB-CD1 4.09Å; I142-I180 HydrophobicContact CB-CG1 4.33Å; I142-I180 HydrophobicContact CD1-CD1 3.95Å; I142-I180 HydrophobicContact CG2-CD1 3.99Å; I142-I180 HydrophobicContact CG2-CG1 4.04Å; I142-I180 HydrophobicContact CG2-CG2 4.38Å; M146-I180 HydrophobicContact SD-CG2 4.15Å; G176-I180 PolarHBondContact O-N 2.73Å; Y177-I180 PolarHBondContact O-N 3.36Å; Y177-I180 VanDerWaalsContact O-N 3.08Å; S178-I180 VanDerWaalsContact C-N 3.32Å; S178-I180 PolarHBondContact O-N 3.06Å; I180-L182 VanDerWaalsContact C-N 3.27Å; I180-L182 PolarHBondContact O-N 2.81Å; I180-R183 CarbonylContact O-C 3.59Å; I180-R183 WeakPolarHBondContact O-CA 3.47Å; I180-R183 PolarHBondContact O-N 2.79Å; I180-N184 WeakPolarHBondContact CG2-OD1 3.37Å; I180-N184 PolarHBondContact O-N 2.81Å; I180-N184 PolarHBondContact O-OD1 3.43Å
181	F	98.7	Very high	98.3	Very high	42 Å²	42	47.6 Å²	47.6	18%	0.184	27%	0.273	C	S	.	.	H	α-helix	trans	-59.8	-37.5	-178.7	-54.6	-25.5	0	0	0	112.7	Y177 S178 R183 N184 T185 G204 Y207 L211	Y177-F181 HydrophobicContact CD1-CE1 4.23Å; Y177-F181 AromaticContact CD1-CZ 3.99Å; Y177-F181 HydrophobicContact CD1-CZ 3.99Å; Y177-F181 HydrophobicContact CG-CZ 4.12Å; Y177-F181 WeakPolarHBondContact O-CD1 3.19Å; Y177-F181 WeakPolarHBondContact O-CD2 3.48Å; Y177-F181 WeakPolarHBondContact O-CG 3.3Å; Y177-F181 PolarHBondContact O-N 2.9Å; S178-F181 PolarHBondContact O-N 3.17Å; F181-R183 VanDerWaalsContact C-N 3.31Å; F181-R183 PolarHBondContact O-N 2.84Å; F181-N184 PolarHBondContact O-N 2.82Å; F181-T185 WeakPolarHBondContact O-CB 3.27Å; F181-T185 PolarHBondContact O-N 3.45Å; F181-T185 PolarHBondContact O-OG1 3.28Å; F181-G204 VanDerWaalsContact CZ-O 3.26Å; F181-G204 WeakPolarHBondContact CZ-O 3.43Å; F181-Y207 HydrophobicContact CZ-CD2 4.42Å; F181-L211 HydrophobicContact CB-CD1 3.94Å; F181-L211 HydrophobicContact CD1-CD1 4.36Å; F181-L211 HydrophobicContact CG-CD1 4.35Å
182	L	98.7	Very high	98.3	Very high	101 Å²	101	42 Å²	42	53%	0.529	24%	0.239	S	C	.	.	H	α-helix	trans	-57.6	-46.5	172.4	176.6	60.9	0	0	0	110.6	S178 I180 T185 M186	S178-L182 PolarHBondContact O-N 2.94Å; S178-L182 VanDerWaalsContact O-N 3.09Å; I180-L182 VanDerWaalsContact C-N 3.27Å; I180-L182 PolarHBondContact O-N 2.81Å; L182-T185 PolarHBondContact O-N 2.71Å; L182-M186 HydrophobicContact CD1-CG 4.21Å; L182-M186 VanDerWaalsContact O-CG 3.3Å; L182-M186 WeakPolarHBondContact O-CG 3.4Å; L182-M186 PolarHBondContact O-N 3.41Å
183	R	98.8	Very high	98.4	Very high	46 Å²	46	38 Å²	38	17%	0.174	22%	0.218	C	C	.	.	H	α-helix	trans	-70.7	-35.3	-179.9	-69.9	170.2	-177.7	77.9	-2.9	112.4	C143 M146 E147 M150 D179 I180 F181 T185 M186 A187	C143-R183 PolarHBondContact SG-NH1 2.81Å; M146-R183 HydrophobicContact CB-CB 4.19Å; M146-R183 HydrophobicContact CE-CB 3.69Å; M146-R183 HydrophobicContact SD-CB 3.95Å; E147-R183 IonicContact OE1-CZ 2.78Å; E147-R183 IonicContact OE1-NE 2.67Å; E147-R183 PolarHBondContact OE1-NE 3.09Å; E147-R183 IonicContact OE1-NH2 3.32Å; E147-R183 PolarHBondContact OE1-NH2 2.8Å; M150-R183 HydrophobicContact CE-CG 4.49Å; D179-R183 PolarHBondContact O-N 3.03Å; D179-R183 PolarHBondContact O-NH1 2.97Å; I180-R183 CarbonylContact O-C 3.59Å; I180-R183 WeakPolarHBondContact O-CA 3.47Å; I180-R183 PolarHBondContact O-N 2.79Å; F181-R183 VanDerWaalsContact C-N 3.31Å; F181-R183 PolarHBondContact O-N 2.84Å; R183-T185 VanDerWaalsContact C-N 3.29Å; R183-T185 PolarHBondContact O-N 3.4Å; R183-M186 PolarHBondContact O-N 3.17Å; R183-A187 WeakPolarHBondContact O-CB 3.34Å; R183-A187 PolarHBondContact O-N 3.4Å
184	N	98.9	Very high	98.5	Very high	3 Å²	3	38 Å²	38	2%	0.016	22%	0.218	C	C	.	.	H	α-helix	trans	-59.9	-43.8	171.3	-66.4	120.6	0	0	0	111.3	M146 I180 F181 A187 S188 Q193 S208 L211	M146-N184 HydrophobicContact CE-CB 4.36Å; M146-N184 VanDerWaalsContact CE-ND2 3.3Å; M146-N184 WeakPolarHBondContact CE-ND2 3.44Å; I180-N184 WeakPolarHBondContact CG2-OD1 3.37Å; I180-N184 PolarHBondContact O-N 2.81Å; I180-N184 PolarHBondContact O-OD1 3.43Å; F181-N184 PolarHBondContact O-N 2.82Å; N184-A187 PolarHBondContact O-N 2.79Å; N184-S188 PolarHBondContact O-N 3.48Å; N184-Q193 VanDerWaalsContact CA-OE1 3.27Å; N184-Q193 PolarHBondContact ND2-OE1 3.31Å; N184-Q193 PolarHBondContact O-NE2 3.49Å; N184-S208 PolarHBondContact OD1-OG 3.43Å; N184-L211 HydrophobicContact CB-CB 3.79Å; N184-L211 HydrophobicContact CB-CD1 4.12Å
185	T	98.8	Very high	98.6	Very high	82 Å²	82	33.4 Å²	33.4	50%	0.503	19%	0.193	S	C	.	.	H	α-helix	trans	-66.2	-43.5	-179.6	-53.4	0	0	0	0	111.3	F181 L182 R183 A187 S188	F181-T185 WeakPolarHBondContact O-CB 3.27Å; F181-T185 PolarHBondContact O-N 3.45Å; F181-T185 PolarHBondContact O-OG1 3.28Å; L182-T185 PolarHBondContact O-N 2.71Å; R183-T185 VanDerWaalsContact C-N 3.29Å; R183-T185 PolarHBondContact O-N 3.4Å; T185-A187 VanDerWaalsContact C-N 3.33Å; T185-A187 PolarHBondContact O-N 2.81Å; T185-S188 WeakPolarHBondContact O-CB 3.19Å; T185-S188 PolarHBondContact O-N 3.45Å
186	M	98.6	Very high	98.7	Very high	123 Å²	123	31.7 Å²	31.7	61%	0.606	18%	0.18	S	C	*	.	H	α-helix	trans	-70.2	-27	177.5	-66.7	-55.3	-58.4	0	0	113.5	M150 L182 R183	M150-M186 HydrophobicContact SD-CB 4.26Å; L182-M186 HydrophobicContact CD1-CG 4.21Å; L182-M186 VanDerWaalsContact O-CG 3.3Å; L182-M186 WeakPolarHBondContact O-CG 3.4Å; L182-M186 PolarHBondContact O-N 3.41Å; R183-M186 PolarHBondContact O-N 3.17Å
187	A	98.7	Very high	98.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-85.3	-14.3	176.5	0	0	0	0	0	113.9	M150 R183 N184 T185 G189 V190 I191 Q193	M150-A187 HydrophobicContact CG-CB 3.91Å; M150-A187 HydrophobicContact SD-CB 3.71Å; R183-A187 WeakPolarHBondContact O-CB 3.34Å; R183-A187 PolarHBondContact O-N 3.4Å; N184-A187 PolarHBondContact O-N 2.79Å; T185-A187 VanDerWaalsContact C-N 3.33Å; T185-A187 PolarHBondContact O-N 2.81Å; A187-G189 PolarHBondContact O-N 3.48Å; A187-V190 WeakPolarHBondContact O-CB 3.39Å; A187-V190 PolarHBondContact O-N 2.91Å; A187-I191 HydrophobicContact CB-CD1 4.25Å; A187-I191 HydrophobicContact CB-CG1 3.88Å; A187-I191 PolarHBondContact O-N 2.76Å; A187-Q193 HydrophobicContact CB-CG 4.3Å
188	S	98.8	Very high	98.7	Very high	66 Å²	66	31.2 Å²	31.2	46%	0.462	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	122.2	-174.4	-169.8	0	0	0	0	111.3	N184 T185 V190	N184-S188 PolarHBondContact O-N 3.48Å; T185-S188 WeakPolarHBondContact O-CB 3.19Å; T185-S188 PolarHBondContact O-N 3.45Å; S188-V190 PolarHBondContact O-N 2.95Å
189	G	98.5	Very high	98.7	Very high	15 Å²	15	27.9 Å²	27.9	16%	0.155	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	16.7	-173.1	0	0	0	0	0	114.8	A187 N283	A187-G189 PolarHBondContact O-N 3.48Å; G189-N283 WeakPolarHBondContact O-CB 3.27Å; G189-N283 PolarHBondContact O-ND2 2.83Å
190	V	98.8	Very high	98.7	Very high	52 Å²	52	26.1 Å²	26.1	32%	0.315	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114	-52.2	176.3	-176.2	0	0	0	0	111	A187 S188 N282 N283	A187-V190 WeakPolarHBondContact O-CB 3.39Å; A187-V190 PolarHBondContact O-N 2.91Å; S188-V190 PolarHBondContact O-N 2.95Å; V190-N282 CarbonylContact O-C 3.52Å; V190-N282 VanDerWaalsContact O-CA 3.3Å; V190-N282 WeakPolarHBondContact O-CA 3.26Å; V190-N282 WeakPolarHBondContact O-CB 3.22Å; V190-N283 PolarHBondContact O-N 3.37Å
191	I	98.9	Very high	98.6	Very high	1 Å²	1	26 Å²	26	1%	0.005	15%	0.145	C	C	.	.	S	Bend	trans	-128	144.9	171	53.8	165.6	0	0	0	108.6	A149 M150 A154 V156 A187 Q193 N282 F385	A149-I191 HydrophobicContact CB-CD1 3.6Å; M150-I191 HydrophobicContact CG-CD1 3.86Å; M150-I191 HydrophobicContact CG-CG1 4.19Å; A154-I191 WeakPolarHBondContact O-CB 3.3Å; A154-I191 VanDerWaalsContact O-CD1 3.31Å; A154-I191 WeakPolarHBondContact O-CD1 3.14Å; A154-I191 WeakPolarHBondContact O-CG2 3.23Å; V156-I191 HydrophobicContact CG1-CD1 4.11Å; A187-I191 HydrophobicContact CB-CD1 4.25Å; A187-I191 HydrophobicContact CB-CG1 3.88Å; A187-I191 PolarHBondContact O-N 2.76Å; I191-Q193 PolarHBondContact O-N 3.27Å; I191-N282 HydrophobicContact CG2-CB 4.12Å; I191-F385 VanDerWaalsContact C-CZ 3.44Å
192	P	98.9	Very high	98.4	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.143	C	C	.	.			trans	-63.7	133.1	175.5	-19.5	31.1	0	0	0	111.1	P155 V156 I194 L279 P280 L281 F385	P155-P192 VanDerWaalsContact CA-O 3.31Å; P155-P192 WeakPolarHBondContact CA-O 3.26Å; P155-P192 HydrophobicContact CB-CB 4.21Å; P155-P192 HydrophobicContact CB-CG 4.4Å; P155-P192 WeakPolarHBondContact CB-O 3.25Å; P155-P192 HydrophobicContact CG-CB 4.48Å; P155-P192 HydrophobicContact CG-CG 4.17Å; V156-P192 PolarHBondContact N-O 2.93Å; P192-I194 HydrophobicContact CB-CD1 4.06Å; P192-L279 HydrophobicContact CB-CD1 4Å; P192-L279 HydrophobicContact CG-CB 4.45Å; P192-P280 WeakPolarHBondContact CG-O 3.3Å; P192-L281 WeakPolarHBondContact CD-O 3.48Å; P192-F385 HydrophobicContact CG-CD1 4.21Å; P192-F385 HydrophobicContact CG-CE1 3.89Å; P192-F385 HydrophobicContact CG-CZ 4.21Å
193	Q	98.9	Very high	98.2	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	119.3	177.6	-60.5	179.4	75.7	0	0	109.4	V156 N184 A187 I191 T212 D213 F214	V156-Q193 HydrophobicContact CG1-CB 4.34Å; V156-Q193 HydrophobicContact CG1-CG 3.85Å; N184-Q193 VanDerWaalsContact CA-OE1 3.27Å; N184-Q193 PolarHBondContact ND2-OE1 3.31Å; N184-Q193 PolarHBondContact O-NE2 3.49Å; A187-Q193 HydrophobicContact CB-CG 4.3Å; I191-Q193 PolarHBondContact O-N 3.27Å; Q193-T212 HydrophobicContact CB-CG2 3.74Å; Q193-T212 WeakPolarHBondContact O-CB 3.5Å; Q193-D213 PolarHBondContact N-OD2 3.12Å; Q193-D213 WeakPolarHBondContact O-CB 3.43Å; Q193-D213 PolarHBondContact O-N 3.17Å; Q193-F214 PolarHBondContact O-N 3.29Å
194	I	98.9	Very high	97.9	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	127.4	179.7	-55.7	81.1	0	0	0	109	V156 I157 G158 P192 F214 F216 L272 F275 M276 L279	V156-I194 PolarHBondContact O-N 3.09Å; I157-I194 CarbonylContact C-O 3.56Å; I157-I194 WeakPolarHBondContact CA-O 3.44Å; I157-I194 HydrophobicContact CG1-CB 4.36Å; I157-I194 HydrophobicContact CG1-CD1 4.48Å; G158-I194 PolarHBondContact N-O 3.42Å; P192-I194 HydrophobicContact CB-CD1 4.06Å; I194-F214 HydrophobicContact CG2-CB 4.45Å; I194-F216 HydrophobicContact CG2-CD2 3.86Å; I194-F216 HydrophobicContact CG2-CE2 3.94Å; I194-L272 HydrophobicContact CG2-CD1 3.86Å; I194-F275 HydrophobicContact CG1-CE1 4.16Å; I194-M276 HydrophobicContact CD1-CE 4.11Å; I194-M276 HydrophobicContact CD1-SD 3.5Å; I194-M276 WeakPolarHBondContact CD1-SD 3.25Å; I194-M276 HydrophobicContact CG1-SD 4.09Å; I194-L279 HydrophobicContact CD1-CD1 4.27Å
195	S	98.9	Very high	97.8	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.007	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	129.7	169.4	-63.9	0	0	0	0	110.4	G158 P209 T212 F214 I215 F216	G158-S195 WeakPolarHBondContact O-CA 3.43Å; S195-P209 WeakPolarHBondContact OG-CA 3.26Å; S195-T212 WeakPolarHBondContact CB-OG1 3.43Å; S195-T212 VanDerWaalsContact OG-CG2 3.31Å; S195-T212 WeakPolarHBondContact OG-CG2 3.05Å; S195-T212 PolarHBondContact OG-OG1 3.36Å; S195-F214 PolarHBondContact N-O 3.17Å; S195-I215 CarbonylContact O-C 3.56Å; S195-I215 VanDerWaalsContact O-CA 3.25Å; S195-I215 WeakPolarHBondContact O-CA 3.35Å; S195-F216 PolarHBondContact O-N 2.92Å
196	V	98.8	Very high	97.7	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	127.5	166.6	-164.5	0	0	0	0	107.3	I157 G158 L159 N160 M198 F216 M268 L272	I157-V196 HydrophobicContact CG2-CG2 4.42Å; G158-V196 PolarHBondContact O-N 3.2Å; L159-V196 HydrophobicContact CD2-CB 3.74Å; L159-V196 HydrophobicContact CD2-CG2 3.56Å; N160-V196 WeakPolarHBondContact CB-O 3.45Å; N160-V196 PolarHBondContact N-O 3.4Å; N160-V196 PolarHBondContact ND2-O 3.3Å; V196-M198 HydrophobicContact CB-CG 4.05Å; V196-M198 HydrophobicContact CB-SD 4.25Å; V196-M198 HydrophobicContact CG1-CG 3.41Å; V196-M198 VanDerWaalsContact CG1-CG 3.41Å; V196-M198 HydrophobicContact CG1-SD 3.8Å; V196-F216 CarbonylContact C-O 3.38Å; V196-F216 WeakPolarHBondContact CA-O 3.46Å; V196-M268 HydrophobicContact CG1-CG 3.41Å; V196-M268 VanDerWaalsContact CG1-CG 3.41Å; V196-M268 HydrophobicContact CG1-SD 3.59Å; V196-M268 VanDerWaalsContact CG1-SD 3.59Å; V196-L272 HydrophobicContact CG2-CD2 3.58Å
197	I	98.7	Very high	97.7	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	112.6	173.4	-39.7	-57.5	0	0	0	106.6	N160 G199 C201 P209 I215 F216 M217 V218 S222 L224	N160-I197 HydrophobicContact CB-CD1 3.99Å; I197-G199 WeakPolarHBondContact CG2-O 3.37Å; I197-C201 HydrophobicContact CG2-CB 3.89Å; I197-P209 HydrophobicContact CD1-CB 4.03Å; I197-P209 HydrophobicContact CD1-CG 3.78Å; I197-I215 HydrophobicContact CD1-CG2 4.16Å; I197-I215 HydrophobicContact CG1-CG2 3.84Å; I197-F216 PolarHBondContact N-O 3.41Å; I197-M217 HydrophobicContact CB-CE 4.44Å; I197-M217 HydrophobicContact CB-CG 4.08Å; I197-M217 HydrophobicContact CG1-CG 4.07Å; I197-M217 HydrophobicContact CG2-CE 4.49Å; I197-V218 PolarHBondContact O-N 3.3Å; I197-V218 VanDerWaalsContact O-N 3.16Å; I197-S222 WeakPolarHBondContact O-CB 3.39Å; I197-S222 PolarHBondContact O-OG 2.87Å; I197-L224 HydrophobicContact CD1-CD1 4.18Å; I197-L224 HydrophobicContact CG1-CD1 4.34Å
198	M	98.5	Very high	97.7	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	29.7	-173.2	-49.4	-177.2	82	0	0	110.3	K66 R72 L159 N160 V196 V218 D265 M268 L269	K66-M198 WeakPolarHBondContact CE-O 3.21Å; R72-M198 HydrophobicContact CG-CE 4.14Å; R72-M198 HydrophobicContact CG-SD 4.28Å; R72-M198 VanDerWaalsContact CZ-CB 3.49Å; R72-M198 PolarHBondContact NH2-O 2.88Å; L159-M198 HydrophobicContact CB-SD 4.18Å; L159-M198 HydrophobicContact CD2-SD 4.07Å; N160-M198 PolarHBondContact O-N 2.75Å; V196-M198 HydrophobicContact CB-CG 4.05Å; V196-M198 HydrophobicContact CB-SD 4.25Å; V196-M198 HydrophobicContact CG1-CG 3.41Å; V196-M198 VanDerWaalsContact CG1-CG 3.41Å; V196-M198 HydrophobicContact CG1-SD 3.8Å; M198-V218 HydrophobicContact CB-CG2 4.31Å; M198-V218 HydrophobicContact CE-CG2 4.27Å; M198-V218 HydrophobicContact CG-CG2 4.07Å; M198-D265 HydrophobicContact CE-CB 3.65Å; M198-D265 VanDerWaalsContact CE-CG 3.48Å; M198-M268 HydrophobicContact CE-CG 4.42Å; M198-L269 HydrophobicContact CE-CD1 3.96Å; M198-L269 HydrophobicContact CE-CD2 4.19Å; M198-L269 HydrophobicContact CE-CG 3.89Å; M198-L269 HydrophobicContact SD-CD2 4.36Å
199	G	98.1	Very high	97.7	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.9	-162.2	-170.3	0	0	0	0	0	111.7	D161 I197 T221 S222 Y223	D161-G199 WeakPolarHBondContact OD1-CA 3.41Å; I197-G199 WeakPolarHBondContact CG2-O 3.37Å; G199-T221 WeakPolarHBondContact CA-O 3.46Å; G199-S222 VanDerWaalsContact O-CA 3.29Å; G199-S222 WeakPolarHBondContact O-CA 3.4Å; G199-Y223 PolarHBondContact O-N 3Å; G199-Y223 VanDerWaalsContact O-N 3.13Å
200	P	97.4	Very high	97.6	Very high	11 Å²	11	15 Å²	15	7%	0.071	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	145.7	172.2	-21	35.3	0	0	0	111.5	F127 D161 S162 Y223	F127-P200 HydrophobicContact CD2-CG 4.5Å; F127-P200 HydrophobicContact CE2-CG 3.84Å; F127-P200 HydrophobicContact CZ-CG 4.36Å; D161-P200 WeakPolarHBondContact OD1-CD 3.49Å; S162-P200 CarbonylContact C-O 3.44Å; S162-P200 PolarHBondContact N-O 2.52Å; S162-P200 CarbonylContact O-C 3.56Å; S162-P200 VanDerWaalsContact O-C 3.28Å; P200-Y223 HydrophobicContact CB-CD2 4.37Å; P200-Y223 HydrophobicContact CB-CE2 3.57Å; P200-Y223 HydrophobicContact CG-CE1 4.34Å; P200-Y223 HydrophobicContact CG-CE2 4.13Å
201	C	97.7	Very high	97.6	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.007	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	97.4	165.3	-170.2	0	0	0	0	108.6	I197 V206 Y223 L224 F225	I197-C201 HydrophobicContact CG2-CB 3.89Å; C201-V206 VanDerWaalsContact O-CG1 3.24Å; C201-V206 WeakPolarHBondContact O-CG1 3.4Å; C201-Y223 PolarHBondContact N-O 2.85Å; C201-L224 HydrophobicContact CB-CB 4.31Å; C201-L224 HydrophobicContact CB-CD1 4.22Å; C201-L224 HydrophobicContact CB-CG 4.31Å; C201-L224 VanDerWaalsContact O-CA 3.3Å; C201-L224 WeakPolarHBondContact O-CA 3.17Å; C201-F225 PolarHBondContact O-N 3.23Å; C201-F225 VanDerWaalsContact O-N 3.12Å
202	A	94.8	Very high	97.6	Very high	18 Å²	18	15.8 Å²	15.8	15%	0.149	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	150	-168.8	0	0	0	0	0	113.9	G164 A205 F225	G164-A202 WeakPolarHBondContact CA-O 3.43Å; A202-A205 WeakPolarHBondContact O-CB 3.24Å; A202-A205 PolarHBondContact O-N 3.2Å; A202-F225 CarbonylContact C-O 3.54Å; A202-F225 WeakPolarHBondContact CA-O 3.21Å; A202-F225 HydrophobicContact CB-CD2 4.17Å; A202-F225 HydrophobicContact CB-CE2 3.73Å
203	G	94.3	Very high	97.6	Very high	26 Å²	26	16.6 Å²	16.6	27%	0.268	10%	0.104	S	C	.	.	G	3₁₀ helix	trans	66.8	-131.8	173.3	0	0	0	0	0	112.4	A205 V206 F225 I226	G203-A205 PolarHBondContact O-N 3.44Å; G203-A205 VanDerWaalsContact O-N 3.17Å; G203-V206 WeakPolarHBondContact O-CG2 3.41Å; G203-V206 PolarHBondContact O-N 3.3Å; G203-F225 PolarHBondContact N-O 3.09Å; G203-I226 WeakPolarHBondContact CA-O 3.42Å
204	G	92.1	Very high	97.6	Very high	25 Å²	25	16.9 Å²	16.9	26%	0.258	11%	0.106	S	C	.	.	G	3₁₀ helix	trans	-59.3	-25.9	178.7	0	0	0	0	0	114.1	F181 V206 Y207	F181-G204 VanDerWaalsContact CZ-O 3.26Å; F181-G204 WeakPolarHBondContact CZ-O 3.43Å; G204-V206 PolarHBondContact O-N 3.11Å; G204-V206 VanDerWaalsContact O-N 3.11Å; G204-Y207 PolarHBondContact O-N 3.18Å
205	A	95.9	Very high	97.6	Very high	7 Å²	7	16.9 Å²	16.9	6%	0.058	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-57.2	-31.4	-177	0	0	0	0	0	113.6	Y177 A202 G203 Y207 S208 P209	Y177-A205 VanDerWaalsContact CE1-CA 3.43Å; Y177-A205 HydrophobicContact CE1-CB 3.88Å; A202-A205 WeakPolarHBondContact O-CB 3.24Å; A202-A205 PolarHBondContact O-N 3.2Å; G203-A205 PolarHBondContact O-N 3.44Å; G203-A205 VanDerWaalsContact O-N 3.17Å; A205-Y207 PolarHBondContact O-N 2.69Å; A205-S208 PolarHBondContact O-N 3.31Å; A205-P209 WeakPolarHBondContact O-CD 3.46Å
206	V	97.5	Very high	97.6	Very high	7 Å²	7	17 Å²	17	4%	0.042	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-67.1	-23.5	-173.5	-47.5	0	0	0	0	114.2	C201 G203 G204 P209 A210 L224 F225 I226	C201-V206 VanDerWaalsContact O-CG1 3.24Å; C201-V206 WeakPolarHBondContact O-CG1 3.4Å; G203-V206 WeakPolarHBondContact O-CG2 3.41Å; G203-V206 PolarHBondContact O-N 3.3Å; G204-V206 PolarHBondContact O-N 3.11Å; G204-V206 VanDerWaalsContact O-N 3.11Å; V206-P209 WeakPolarHBondContact O-CD 3.06Å; V206-A210 WeakPolarHBondContact O-CB 3.36Å; V206-A210 PolarHBondContact O-N 3.25Å; V206-A210 VanDerWaalsContact O-N 3.09Å; V206-L224 HydrophobicContact CB-CD1 4.08Å; V206-L224 HydrophobicContact CB-CD2 3.88Å; V206-L224 HydrophobicContact CB-CG 3.86Å; V206-L224 HydrophobicContact CG1-CD1 4.25Å; V206-L224 HydrophobicContact CG1-CD2 3.96Å; V206-L224 HydrophobicContact CG1-CG 3.63Å; V206-F225 WeakPolarHBondContact CG1-O 3.5Å; V206-I226 HydrophobicContact CG2-CG1 3.75Å
207	Y	98.1	Very high	97.6	Very high	110 Å²	110	17 Å²	17	43%	0.431	11%	0.106	S	C	.	.	H	α-helix	trans	-75.2	-26.7	-175.9	-66.7	-59.2	0	0	0	113.1	F181 G204 A205 A210 L211 I226	F181-Y207 HydrophobicContact CZ-CD2 4.42Å; G204-Y207 PolarHBondContact O-N 3.18Å; A205-Y207 PolarHBondContact O-N 2.69Å; Y207-A210 PolarHBondContact O-N 3.01Å; Y207-L211 WeakPolarHBondContact O-CD1 3.4Å; Y207-L211 VanDerWaalsContact O-CG 3.23Å; Y207-L211 WeakPolarHBondContact O-CG 3.48Å; Y207-L211 PolarHBondContact O-N 3.21Å; Y207-L211 VanDerWaalsContact O-N 3.13Å; Y207-I226 HydrophobicContact CE1-CD1 4.34Å
208	S	98.5	Very high	97.6	Very high	9 Å²	9	17 Å²	17	6%	0.063	11%	0.106	C	C	.	.	H	α-helix	trans	-63.5	-56.1	172.8	163.2	0	0	0	0	110.3	N184 A205 A210 L211 T212	N184-S208 PolarHBondContact OD1-OG 3.43Å; A205-S208 PolarHBondContact O-N 3.31Å; S208-A210 VanDerWaalsContact C-N 3.32Å; S208-A210 PolarHBondContact O-N 3.11Å; S208-L211 PolarHBondContact O-N 3.44Å; S208-L211 VanDerWaalsContact O-N 3.11Å; S208-T212 WeakPolarHBondContact O-CG2 3.23Å; S208-T212 PolarHBondContact O-N 3Å
209	P	98.6	Very high	97.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-52.7	-44	171	-29.3	37	0	0	0	114.4	S195 I197 A205 V206 L211 T212 I215 L224	S195-P209 WeakPolarHBondContact OG-CA 3.26Å; I197-P209 HydrophobicContact CD1-CB 4.03Å; I197-P209 HydrophobicContact CD1-CG 3.78Å; A205-P209 WeakPolarHBondContact O-CD 3.46Å; V206-P209 WeakPolarHBondContact O-CD 3.06Å; P209-L211 PolarHBondContact O-N 3.36Å; P209-T212 PolarHBondContact O-N 3.33Å; P209-T212 PolarHBondContact O-OG1 3.13Å; P209-I215 VanDerWaalsContact C-CD1 3.44Å; P209-I215 HydrophobicContact CB-CD1 3.95Å; P209-I215 HydrophobicContact CB-CG1 4.22Å; P209-I215 HydrophobicContact CB-CG2 4.44Å; P209-I215 WeakPolarHBondContact O-CD1 3.35Å; P209-I215 WeakPolarHBondContact O-CG1 3.46Å; P209-L224 HydrophobicContact CB-CD1 4.41Å
210	A	98.4	Very high	97.5	Very high	44 Å²	44	26.4 Å²	26.4	36%	0.364	15%	0.152	S	C	.	.	H	α-helix	trans	-56.6	-34.7	178.7	0	0	0	0	0	113.6	V206 Y207 S208 R377	V206-A210 WeakPolarHBondContact O-CB 3.36Å; V206-A210 PolarHBondContact O-N 3.25Å; V206-A210 VanDerWaalsContact O-N 3.09Å; Y207-A210 PolarHBondContact O-N 3.01Å; S208-A210 VanDerWaalsContact C-N 3.32Å; S208-A210 PolarHBondContact O-N 3.11Å; A210-R377 PolarHBondContact O-NH2 3.44Å
211	L	98.6	Very high	97.5	Very high	66 Å²	66	27.4 Å²	27.4	35%	0.346	16%	0.158	S	C	.	.	H	α-helix	trans	-81	-18.8	177.2	-67.4	168.7	0	0	0	113.9	F181 N184 Y207 S208 P209	F181-L211 HydrophobicContact CB-CD1 3.94Å; F181-L211 HydrophobicContact CD1-CD1 4.36Å; F181-L211 HydrophobicContact CG-CD1 4.35Å; N184-L211 HydrophobicContact CB-CB 3.79Å; N184-L211 HydrophobicContact CB-CD1 4.12Å; Y207-L211 WeakPolarHBondContact O-CD1 3.4Å; Y207-L211 VanDerWaalsContact O-CG 3.23Å; Y207-L211 WeakPolarHBondContact O-CG 3.48Å; Y207-L211 PolarHBondContact O-N 3.21Å; Y207-L211 VanDerWaalsContact O-N 3.13Å; S208-L211 PolarHBondContact O-N 3.44Å; S208-L211 VanDerWaalsContact O-N 3.11Å; P209-L211 PolarHBondContact O-N 3.36Å
212	T	98.9	Very high	97.5	Very high	4 Å²	4	27.4 Å²	27.4	3%	0.025	16%	0.157	C	C	.	.	S	Bend	trans	-72.2	165.2	175.1	63.4	0	0	0	0	112.6	Q193 S195 S208 P209 F214 R377	Q193-T212 HydrophobicContact CB-CG2 3.74Å; Q193-T212 WeakPolarHBondContact O-CB 3.5Å; S195-T212 WeakPolarHBondContact CB-OG1 3.43Å; S195-T212 VanDerWaalsContact OG-CG2 3.31Å; S195-T212 WeakPolarHBondContact OG-CG2 3.05Å; S195-T212 PolarHBondContact OG-OG1 3.36Å; S208-T212 WeakPolarHBondContact O-CG2 3.23Å; S208-T212 PolarHBondContact O-N 3Å; P209-T212 PolarHBondContact O-N 3.33Å; P209-T212 PolarHBondContact O-OG1 3.13Å; T212-F214 PolarHBondContact OG1-O 3.27Å; T212-R377 PolarHBondContact O-NH2 3.46Å
213	D	98.9	Very high	97.7	Very high	18 Å²	18	28.6 Å²	28.6	10%	0.096	16%	0.158	C	C	.	.	S	Bend	trans	-73.2	-43.5	-174.6	-59	-59.1	0	0	0	111.8	Q193 F381	Q193-D213 PolarHBondContact N-OD2 3.12Å; Q193-D213 WeakPolarHBondContact O-CB 3.43Å; Q193-D213 PolarHBondContact O-N 3.17Å; D213-F381 HydrophobicContact CB-CD2 3.67Å; D213-F381 HydrophobicContact CB-CE2 3.64Å
214	F	98.9	Very high	97.8	Very high	6 Å²	6	28 Å²	28	3%	0.026	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	143.3	178.9	-57.3	-80.8	0	0	0	111.6	Q193 I194 S195 T212 F216 H259 F275 L279 I333 F345 F381	Q193-F214 PolarHBondContact O-N 3.29Å; I194-F214 HydrophobicContact CG2-CB 4.45Å; S195-F214 PolarHBondContact N-O 3.17Å; T212-F214 PolarHBondContact OG1-O 3.27Å; F214-F216 HydrophobicContact CB-CE2 3.89Å; F214-F216 HydrophobicContact CB-CZ 4.17Å; F214-H259 HydrophobicContact CD1-CB 4.36Å; F214-H259 AromaticContact CD1-CD2 3.81Å; F214-F275 HydrophobicContact CB-CE1 4.33Å; F214-F275 AromaticContact CD1-CZ 3.99Å; F214-F275 HydrophobicContact CD1-CZ 3.99Å; F214-F275 AromaticContact CD2-CE1 3.67Å; F214-F275 HydrophobicContact CD2-CE1 3.67Å; F214-F275 AromaticContact CD2-CZ 3.51Å; F214-F275 HydrophobicContact CD2-CZ 3.51Å; F214-F275 HydrophobicContact CE1-CZ 4.06Å; F214-F275 HydrophobicContact CE2-CE1 4.13Å; F214-F275 AromaticContact CE2-CZ 3.58Å; F214-F275 HydrophobicContact CE2-CZ 3.58Å; F214-F275 AromaticContact CG-CE1 3.94Å; F214-F275 HydrophobicContact CG-CE1 3.94Å; F214-F275 AromaticContact CG-CZ 3.72Å; F214-F275 HydrophobicContact CG-CZ 3.72Å; F214-F275 AromaticContact CZ-CZ 3.88Å; F214-F275 HydrophobicContact CZ-CZ 3.88Å; F214-L279 HydrophobicContact CE2-CD1 4.5Å; F214-I333 HydrophobicContact CD1-CD1 4.04Å; F214-I333 HydrophobicContact CE1-CD1 4.01Å; F214-I333 HydrophobicContact CE1-CG1 4.29Å; F214-I333 HydrophobicContact CE1-CG2 4.3Å; F214-F345 HydrophobicContact CE1-CE2 4.18Å; F214-F345 AromaticContact CZ-CE2 3.81Å; F214-F345 HydrophobicContact CZ-CE2 3.81Å; F214-F345 AromaticContact CZ-CZ 3.87Å; F214-F345 HydrophobicContact CZ-CZ 3.87Å; F214-F381 HydrophobicContact CD2-CE2 4.44Å; F214-F381 HydrophobicContact CE2-CD1 4.09Å; F214-F381 AromaticContact CE2-CD2 3.85Å; F214-F381 HydrophobicContact CE2-CD2 3.85Å; F214-F381 AromaticContact CE2-CE1 3.77Å; F214-F381 HydrophobicContact CE2-CE1 3.77Å; F214-F381 AromaticContact CE2-CE2 3.5Å; F214-F381 HydrophobicContact CE2-CE2 3.5Å; F214-F381 HydrophobicContact CE2-CG 4.14Å; F214-F381 AromaticContact CE2-CZ 3.49Å; F214-F381 HydrophobicContact CE2-CZ 3.49Å; F214-F381 VanDerWaalsContact CE2-CZ 3.49Å; F214-F381 AromaticContact CZ-CD1 3.75Å; F214-F381 HydrophobicContact CZ-CD1 3.75Å; F214-F381 HydrophobicContact CZ-CD2 4.08Å; F214-F381 AromaticContact CZ-CE1 3.81Å; F214-F381 HydrophobicContact CZ-CE1 3.81Å; F214-F381 HydrophobicContact CZ-CE2 4.12Å; F214-F381 AromaticContact CZ-CG 3.91Å; F214-F381 HydrophobicContact CZ-CG 3.91Å; F214-F381 HydrophobicContact CZ-CZ 4.02Å
215	I	98.8	Very high	98	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.01	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	117.8	176	-50.6	177.5	0	0	0	107.6	S195 I197 P209 V257 H259	S195-I215 CarbonylContact O-C 3.56Å; S195-I215 VanDerWaalsContact O-CA 3.25Å; S195-I215 WeakPolarHBondContact O-CA 3.35Å; I197-I215 HydrophobicContact CD1-CG2 4.16Å; I197-I215 HydrophobicContact CG1-CG2 3.84Å; P209-I215 VanDerWaalsContact C-CD1 3.44Å; P209-I215 HydrophobicContact CB-CD1 3.95Å; P209-I215 HydrophobicContact CB-CG1 4.22Å; P209-I215 HydrophobicContact CB-CG2 4.44Å; P209-I215 WeakPolarHBondContact O-CD1 3.35Å; P209-I215 WeakPolarHBondContact O-CG1 3.46Å; I215-V257 HydrophobicContact CD1-CG1 3.92Å; I215-H259 PolarHBondContact N-ND1 3.46Å; I215-H259 WeakPolarHBondContact O-CB 3.48Å; I215-H259 PolarHBondContact O-N 3.17Å; I215-H259 PolarHBondContact O-ND1 2.78Å
216	F	98.8	Very high	98	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.009	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	153	172.4	-58.1	-73.3	0	0	0	110.4	I194 S195 V196 I197 F214 H259 Y262 M268 L272 F275 F331 I333	I194-F216 HydrophobicContact CG2-CD2 3.86Å; I194-F216 HydrophobicContact CG2-CE2 3.94Å; S195-F216 PolarHBondContact O-N 2.92Å; V196-F216 CarbonylContact C-O 3.38Å; V196-F216 WeakPolarHBondContact CA-O 3.46Å; I197-F216 PolarHBondContact N-O 3.41Å; F214-F216 HydrophobicContact CB-CE2 3.89Å; F214-F216 HydrophobicContact CB-CZ 4.17Å; F216-H259 HydrophobicContact CD1-CB 4.39Å; F216-H259 HydrophobicContact CE1-CB 4.14Å; F216-Y262 HydrophobicContact CB-CE2 4.25Å; F216-Y262 AromaticContact CD1-CE2 3.78Å; F216-Y262 HydrophobicContact CD1-CE2 3.78Å; F216-Y262 HydrophobicContact CE1-CE2 4.44Å; F216-Y262 HydrophobicContact CG-CE2 4.21Å; F216-M268 HydrophobicContact CB-CE 3.59Å; F216-M268 HydrophobicContact CB-SD 3.42Å; F216-M268 WeakPolarHBondContact CB-SD 3.31Å; F216-M268 HydrophobicContact CD2-CE 4.17Å; F216-M268 HydrophobicContact CG-CE 3.88Å; F216-M268 HydrophobicContact CG-SD 4.35Å; F216-L272 HydrophobicContact CE2-CD1 4.49Å; F216-F275 AromaticContact CE2-CD1 3.77Å; F216-F275 HydrophobicContact CE2-CD1 3.77Å; F216-F275 AromaticContact CE2-CE1 3.82Å; F216-F275 HydrophobicContact CE2-CE1 3.82Å; F216-F275 HydrophobicContact CE2-CG 4.38Å; F216-F275 HydrophobicContact CE2-CZ 4.48Å; F216-F275 AromaticContact CZ-CD1 3.99Å; F216-F275 HydrophobicContact CZ-CD1 3.99Å; F216-F275 HydrophobicContact CZ-CD2 4.43Å; F216-F275 AromaticContact CZ-CE1 3.96Å; F216-F275 HydrophobicContact CZ-CE1 3.96Å; F216-F275 HydrophobicContact CZ-CE2 4.41Å; F216-F275 HydrophobicContact CZ-CG 4.23Å; F216-F275 HydrophobicContact CZ-CZ 4.18Å; F216-F331 HydrophobicContact CE1-CE1 4.15Å; F216-F331 HydrophobicContact CE1-CZ 4.33Å; F216-F331 HydrophobicContact CZ-CE1 4.06Å; F216-F331 HydrophobicContact CZ-CZ 4.21Å; F216-I333 HydrophobicContact CE1-CD1 4.43Å; F216-I333 HydrophobicContact CZ-CD1 4.33Å
217	M	98.7	Very high	97.9	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	151	-176	-63.8	-168.9	67.2	0	0	111.6	I197 A248 H251 A258 G260 A261 Y262	I197-M217 HydrophobicContact CB-CE 4.44Å; I197-M217 HydrophobicContact CB-CG 4.08Å; I197-M217 HydrophobicContact CG1-CG 4.07Å; I197-M217 HydrophobicContact CG2-CE 4.49Å; M217-A248 HydrophobicContact CB-CB 3.84Å; M217-A248 HydrophobicContact CE-CB 4.31Å; M217-A248 HydrophobicContact SD-CB 4.49Å; M217-H251 HydrophobicContact SD-CB 3.76Å; M217-A258 HydrophobicContact CG-CB 3.89Å; M217-A258 HydrophobicContact SD-CB 3.76Å; M217-G260 PolarHBondContact N-O 3.5Å; M217-G260 VanDerWaalsContact N-O 3.12Å; M217-A261 CarbonylContact O-C 3.53Å; M217-A261 WeakPolarHBondContact O-CA 3.49Å; M217-Y262 PolarHBondContact O-N 3.2Å
218	V	98.7	Very high	97.7	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	130.4	170.5	-171.2	0	0	0	0	109.3	I197 M198 T221 S222 N264 M268	I197-V218 PolarHBondContact O-N 3.3Å; I197-V218 VanDerWaalsContact O-N 3.16Å; M198-V218 HydrophobicContact CB-CG2 4.31Å; M198-V218 HydrophobicContact CE-CG2 4.27Å; M198-V218 HydrophobicContact CG-CG2 4.07Å; V218-T221 WeakPolarHBondContact CB-OG1 3.5Å; V218-T221 WeakPolarHBondContact CG1-OG1 3.49Å; V218-S222 PolarHBondContact N-OG 3.38Å; V218-S222 WeakPolarHBondContact O-CB 3.5Å; V218-S222 PolarHBondContact O-N 2.9Å; V218-S222 PolarHBondContact O-OG 2.95Å; V218-N264 VanDerWaalsContact CG1-C 3.49Å; V218-N264 VanDerWaalsContact CG1-CA 3.43Å; V218-M268 HydrophobicContact CG2-CB 4.07Å; V218-M268 HydrophobicContact CG2-CG 4.11Å
219	R	98.1	Very high	97.5	Very high	64 Å²	64	31.2 Å²	31.2	24%	0.242	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	145.4	179.2	-67.9	-178.4	178.7	85.6	13.1	110.9	T221 A261 Y262 E263	R219-T221 PolarHBondContact O-N 3.4Å; R219-T221 PolarHBondContact O-OG1 2.85Å; R219-T221 VanDerWaalsContact O-OG1 3.06Å; R219-A261 HydrophobicContact CG-CB 4.22Å; R219-A261 VanDerWaalsContact CZ-O 3.23Å; R219-A261 PolarHBondContact NH1-O 2.82Å; R219-A261 PolarHBondContact NH2-O 3.29Å; R219-Y262 WeakPolarHBondContact CG-O 3.44Å; R219-Y262 PolarHBondContact N-O 3Å; R219-Y262 VanDerWaalsContact NH1-C 3.27Å; R219-Y262 VanDerWaalsContact NH1-CA 3.29Å; R219-E263 WeakPolarHBondContact CD-OE1 3.43Å; R219-E263 IonicContact CZ-OE1 3.91Å; R219-E263 IonicContact NE-OE1 2.98Å; R219-E263 PolarHBondContact NE-OE1 2.8Å; R219-E263 IonicContact NH1-OE1 3.13Å; R219-E263 PolarHBondContact NH1-OE1 3.07Å
220	D	96.8	Very high	97.2	Very high	133 Å²	133	39.3 Å²	39.3	71%	0.711	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.9	-5.2	172.9	-50.6	-53.8	0	0	0	117.9
221	T	97.3	Very high	97	Very high	32 Å²	32	41 Å²	41	20%	0.196	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.6	-11.3	-175.7	54.9	0	0	0	0	113	K66 G199 V218 R219	K66-T221 HydrophobicContact CG-CG2 4.14Å; G199-T221 WeakPolarHBondContact CA-O 3.46Å; V218-T221 WeakPolarHBondContact CB-OG1 3.5Å; V218-T221 WeakPolarHBondContact CG1-OG1 3.49Å; R219-T221 PolarHBondContact O-N 3.4Å; R219-T221 PolarHBondContact O-OG1 2.85Å; R219-T221 VanDerWaalsContact O-OG1 3.06Å
222	S	97.8	Very high	96.8	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.206	C	C	.	.			trans	-128.9	141.8	-177.8	80.8	0	0	0	0	112.9	I197 G199 V218	I197-S222 WeakPolarHBondContact O-CB 3.39Å; I197-S222 PolarHBondContact O-OG 2.87Å; G199-S222 VanDerWaalsContact O-CA 3.29Å; G199-S222 WeakPolarHBondContact O-CA 3.4Å; V218-S222 PolarHBondContact N-OG 3.38Å; V218-S222 WeakPolarHBondContact O-CB 3.5Å; V218-S222 PolarHBondContact O-N 2.9Å; V218-S222 PolarHBondContact O-OG 2.95Å
223	Y	97.6	Very high	96.7	Very high	44 Å²	44	43.3 Å²	43.3	17%	0.173	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	154.1	178	52.7	-104.1	0	0	0	111.7	G199 P200 C201 F225 Q242 G246	G199-Y223 PolarHBondContact O-N 3Å; G199-Y223 VanDerWaalsContact O-N 3.13Å; P200-Y223 HydrophobicContact CB-CD2 4.37Å; P200-Y223 HydrophobicContact CB-CE2 3.57Å; P200-Y223 HydrophobicContact CG-CE1 4.34Å; P200-Y223 HydrophobicContact CG-CE2 4.13Å; C201-Y223 PolarHBondContact N-O 2.85Å; Y223-F225 HydrophobicContact CD2-CD1 4.06Å; Y223-F225 AromaticContact CD2-CE1 3.31Å; Y223-F225 HydrophobicContact CD2-CE1 3.31Å; Y223-F225 AromaticContact CD2-CZ 3.78Å; Y223-F225 HydrophobicContact CD2-CZ 3.78Å; Y223-F225 AromaticContact CE2-CE1 3.66Å; Y223-F225 HydrophobicContact CE2-CE1 3.66Å; Y223-F225 AromaticContact CE2-CZ 3.65Å; Y223-F225 HydrophobicContact CE2-CZ 3.65Å; Y223-F225 HydrophobicContact CG-CE1 4.17Å; Y223-Q242 HydrophobicContact CD1-CB 4.24Å; Y223-Q242 HydrophobicContact CE1-CB 4.29Å; Y223-Q242 VanDerWaalsContact CE1-OE1 3.22Å; Y223-Q242 HydrophobicContact CG-CB 4.43Å; Y223-Q242 PolarHBondContact OH-NE2 3.38Å; Y223-Q242 PolarHBondContact OH-OE1 3Å; Y223-G246 CarbonylContact C-O 3.53Å; Y223-G246 WeakPolarHBondContact CA-O 3.43Å; Y223-G246 WeakPolarHBondContact CB-O 3.34Å
224	L	97	Very high	96.5	Very high	13 Å²	13	46.4 Å²	46.4	7%	0.068	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	129	-176.2	-178.6	146.9	0	0	0	111	I197 C201 V206 P209 G246 H251 V257	I197-L224 HydrophobicContact CD1-CD1 4.18Å; I197-L224 HydrophobicContact CG1-CD1 4.34Å; C201-L224 HydrophobicContact CB-CB 4.31Å; C201-L224 HydrophobicContact CB-CD1 4.22Å; C201-L224 HydrophobicContact CB-CG 4.31Å; C201-L224 VanDerWaalsContact O-CA 3.3Å; C201-L224 WeakPolarHBondContact O-CA 3.17Å; V206-L224 HydrophobicContact CB-CD1 4.08Å; V206-L224 HydrophobicContact CB-CD2 3.88Å; V206-L224 HydrophobicContact CB-CG 3.86Å; V206-L224 HydrophobicContact CG1-CD1 4.25Å; V206-L224 HydrophobicContact CG1-CD2 3.96Å; V206-L224 HydrophobicContact CG1-CG 3.63Å; P209-L224 HydrophobicContact CB-CD1 4.41Å; L224-G246 PolarHBondContact N-O 2.91Å; L224-G246 VanDerWaalsContact O-CA 3.22Å; L224-G246 WeakPolarHBondContact O-CA 3.25Å; L224-H251 PolarHBondContact O-NE2 3.09Å; L224-V257 HydrophobicContact CD2-CG1 4.37Å
225	F	96.7	Very high	96.5	Very high	20 Å²	20	51.6 Å²	51.6	9%	0.088	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	148.2	173.8	44.8	-109.3	0	0	0	113.1	C201 A202 G203 V206 Y223 G228 Q242 L245	C201-F225 PolarHBondContact O-N 3.23Å; C201-F225 VanDerWaalsContact O-N 3.12Å; A202-F225 CarbonylContact C-O 3.54Å; A202-F225 WeakPolarHBondContact CA-O 3.21Å; A202-F225 HydrophobicContact CB-CD2 4.17Å; A202-F225 HydrophobicContact CB-CE2 3.73Å; G203-F225 PolarHBondContact N-O 3.09Å; V206-F225 WeakPolarHBondContact CG1-O 3.5Å; Y223-F225 HydrophobicContact CD2-CD1 4.06Å; Y223-F225 AromaticContact CD2-CE1 3.31Å; Y223-F225 HydrophobicContact CD2-CE1 3.31Å; Y223-F225 AromaticContact CD2-CZ 3.78Å; Y223-F225 HydrophobicContact CD2-CZ 3.78Å; Y223-F225 AromaticContact CE2-CE1 3.66Å; Y223-F225 HydrophobicContact CE2-CE1 3.66Å; Y223-F225 AromaticContact CE2-CZ 3.65Å; Y223-F225 HydrophobicContact CE2-CZ 3.65Å; Y223-F225 HydrophobicContact CG-CE1 4.17Å; F225-G228 VanDerWaalsContact CE2-CA 3.44Å; F225-Q242 HydrophobicContact CE1-CB 4.34Å; F225-Q242 HydrophobicContact CE1-CG 4.21Å; F225-Q242 HydrophobicContact CZ-CG 4.46Å; F225-L245 HydrophobicContact CB-CD2 4.31Å; F225-L245 HydrophobicContact CB-CG 4.42Å; F225-L245 HydrophobicContact CD1-CD2 4.23Å; F225-L245 HydrophobicContact CG-CD2 4.27Å
226	I	96	Very high	96.3	Very high	98 Å²	98	54.7 Å²	54.7	50%	0.503	30%	0.304	S	S	.	.	S	Bend	trans	-71.1	-46.7	172.9	-62.3	166.4	0	0	0	109.9	G203 V206 Y207	G203-I226 WeakPolarHBondContact CA-O 3.42Å; V206-I226 HydrophobicContact CG2-CG1 3.75Å; Y207-I226 HydrophobicContact CE1-CD1 4.34Å
227	T	94.4	Very high	96.1	Very high	65 Å²	65	61.3 Å²	61.3	40%	0.399	34%	0.339	S	S	.	.	S	Bend	trans	-119	126.1	-176.1	-57	0	0	0	0	108.7	V231 V232 L245	T227-V231 HydrophobicContact CG2-CB 3.63Å; T227-V231 HydrophobicContact CG2-CG1 3.55Å; T227-V232 HydrophobicContact CG2-CG2 4.02Å; T227-L245 WeakPolarHBondContact O-CD2 3.44Å
228	G	93.8	Very high	95.9	Very high	22 Å²	22	66.8 Å²	66.8	23%	0.227	37%	0.365	C	S	.	.			trans	-74	157	-178.9	0	0	0	0	0	113.4	F225 E230 V231 V232	F225-G228 VanDerWaalsContact CE2-CA 3.44Å; G228-E230 VanDerWaalsContact C-N 3.29Å; G228-E230 PolarHBondContact O-N 3.33Å; G228-E230 VanDerWaalsContact O-N 3.17Å; G228-V231 PolarHBondContact O-N 3.34Å; G228-V232 PolarHBondContact O-N 2.89Å; G228-V232 VanDerWaalsContact O-N 3.08Å
229	P	94.2	Very high	95.7	Very high	20 Å²	20	72.8 Å²	72.8	13%	0.13	40%	0.397	C	S	.	.	H	α-helix	trans	-55.5	-36.1	-174	-27.1	33.7	0	0	0	115.3	V231 V232 K233 V240 Q242 L245	P229-V231 VanDerWaalsContact C-N 3.27Å; P229-V231 PolarHBondContact O-N 3.12Å; P229-V232 PolarHBondContact O-N 2.81Å; P229-K233 WeakPolarHBondContact O-CB 3.41Å; P229-K233 PolarHBondContact O-N 2.64Å; P229-V240 HydrophobicContact CB-CG1 4.22Å; P229-V240 WeakPolarHBondContact CB-O 3.33Å; P229-Q242 HydrophobicContact CG-CG 3.9Å; P229-L245 HydrophobicContact CB-CD2 4.41Å; P229-L245 HydrophobicContact CG-CD2 3.75Å
230	E	93.4	Very high	95.6	Very high	171 Å²	171	71.8 Å²	71.8	80%	0.799	40%	0.398	S	S	*	.	H	α-helix	trans	-60.4	-37.5	177	-63	179.8	176.2	0	0	112.4	G228 A234	G228-E230 VanDerWaalsContact C-N 3.29Å; G228-E230 PolarHBondContact O-N 3.33Å; G228-E230 VanDerWaalsContact O-N 3.17Å; E230-A234 WeakPolarHBondContact O-CB 2.99Å; E230-A234 PolarHBondContact O-N 3.02Å; E230-A234 VanDerWaalsContact O-N 3.1Å
231	V	93.8	Very high	95.6	Very high	79 Å²	79	69 Å²	69	48%	0.479	39%	0.386	S	S	.	.	H	α-helix	trans	-79.2	-35.3	178.6	-178.6	0	0	0	0	110.9	T227 G228 P229 A234 V235	T227-V231 HydrophobicContact CG2-CB 3.63Å; T227-V231 HydrophobicContact CG2-CG1 3.55Å; G228-V231 PolarHBondContact O-N 3.34Å; P229-V231 VanDerWaalsContact C-N 3.27Å; P229-V231 PolarHBondContact O-N 3.12Å; V231-A234 PolarHBondContact O-N 2.86Å; V231-V235 HydrophobicContact CG1-CG2 4.41Å; V231-V235 WeakPolarHBondContact O-CB 3.42Å; V231-V235 WeakPolarHBondContact O-CG2 3.47Å; V231-V235 PolarHBondContact O-N 2.77Å; V231-V235 VanDerWaalsContact O-N 3.16Å
232	V	95.2	Very high	95.4	Very high	23 Å²	23	71.8 Å²	71.8	14%	0.139	40%	0.397	C	S	.	.	H	α-helix	trans	-57.4	-54.8	170.7	174.7	0	0	0	0	109.5	T227 G228 P229 A234 V235 T236 E238 V240 L245	T227-V232 HydrophobicContact CG2-CG2 4.02Å; G228-V232 PolarHBondContact O-N 2.89Å; G228-V232 VanDerWaalsContact O-N 3.08Å; P229-V232 PolarHBondContact O-N 2.81Å; V232-A234 VanDerWaalsContact C-N 3.32Å; V232-A234 PolarHBondContact O-N 2.77Å; V232-V235 PolarHBondContact O-N 2.97Å; V232-T236 PolarHBondContact O-N 3.04Å; V232-T236 PolarHBondContact O-OG1 2.75Å; V232-E238 HydrophobicContact CG1-CB 4.06Å; V232-V240 HydrophobicContact CG1-CG1 4.32Å; V232-L245 HydrophobicContact CG2-CD2 4.12Å
233	K	95.8	Very high	95.4	Very high	96 Å²	96	74.5 Å²	74.5	42%	0.417	41%	0.409	S	S	.	.	H	α-helix	trans	-53.8	-46.2	176.9	-177.8	174.2	-175.1	143.4	0	112.5	P229 V235 N237 E238 D239	P229-K233 WeakPolarHBondContact O-CB 3.41Å; P229-K233 PolarHBondContact O-N 2.64Å; K233-V235 VanDerWaalsContact C-N 3.25Å; K233-V235 PolarHBondContact O-N 3.14Å; K233-N237 WeakPolarHBondContact O-CA 3.41Å; K233-N237 PolarHBondContact O-N 2.72Å; K233-E238 WeakPolarHBondContact CA-O 3.31Å; K233-D239 VanDerWaalsContact CD-OD1 3.32Å; K233-D239 WeakPolarHBondContact CD-OD1 3.35Å; K233-D239 WeakPolarHBondContact CE-OD1 3.35Å; K233-D239 IonicContact NZ-OD1 2.61Å; K233-D239 PolarHBondContact NZ-OD1 3.25Å; K233-D239 IonicContact NZ-OD2 2.65Å; K233-D239 PolarHBondContact NZ-OD2 3.46Å
234	A	95.9	Very high	95.3	Very high	83 Å²	83	78 Å²	78	69%	0.686	43%	0.427	S	S	*	.	H	α-helix	trans	-66.4	-22.7	-178.6	0	0	0	0	0	114.4	E230 V231 V232	E230-A234 WeakPolarHBondContact O-CB 2.99Å; E230-A234 PolarHBondContact O-N 3.02Å; E230-A234 VanDerWaalsContact O-N 3.1Å; V231-A234 PolarHBondContact O-N 2.86Å; V232-A234 VanDerWaalsContact C-N 3.32Å; V232-A234 PolarHBondContact O-N 2.77Å
235	V	96.8	Very high	95.3	Very high	115 Å²	115	80 Å²	80	70%	0.697	44%	0.437	S	S	*	.	H	α-helix	trans	-103.9	-37.5	-175.5	174.8	0	0	0	0	112.7	V231 V232 K233	V231-V235 HydrophobicContact CG1-CG2 4.41Å; V231-V235 WeakPolarHBondContact O-CB 3.42Å; V231-V235 WeakPolarHBondContact O-CG2 3.47Å; V231-V235 PolarHBondContact O-N 2.77Å; V231-V235 VanDerWaalsContact O-N 3.16Å; V232-V235 PolarHBondContact O-N 2.97Å; K233-V235 VanDerWaalsContact C-N 3.25Å; K233-V235 PolarHBondContact O-N 3.14Å
236	T	96	Very high	95.3	Very high	66 Å²	66	79 Å²	79	41%	0.405	43%	0.433	S	S	.	.	H	α-helix	trans	-114.2	-8	-175	70.1	0	0	0	0	114.1	V232 E238	V232-T236 PolarHBondContact O-N 3.04Å; V232-T236 PolarHBondContact O-OG1 2.75Å; T236-E238 WeakPolarHBondContact CB-OE1 3.39Å; T236-E238 PolarHBondContact O-N 3.37Å; T236-E238 WeakPolarHBondContact OG1-CB 3.4Å; T236-E238 VanDerWaalsContact OG1-CD 3.29Å; T236-E238 WeakPolarHBondContact OG1-CG 3.37Å; T236-E238 PolarHBondContact OG1-N 3.41Å; T236-E238 PolarHBondContact OG1-OE1 2.91Å
237	N	93.6	Very high	95.4	Very high	142 Å²	142	74.3 Å²	74.3	76%	0.759	41%	0.409	S	S	*	.			trans	59.2	17.6	-166.8	-61.2	-53	0	0	0	114.4	K233 D239	K233-N237 WeakPolarHBondContact O-CA 3.41Å; K233-N237 PolarHBondContact O-N 2.72Å; N237-D239 PolarHBondContact O-N 3.41Å
238	E	94.9	Very high	95.6	Very high	116 Å²	116	71.3 Å²	71.3	54%	0.542	39%	0.391	S	S	.	.			trans	-79	119.2	171.9	-70.1	164.2	-114.7	0	0	110.6	V232 K233 T236	V232-E238 HydrophobicContact CG1-CB 4.06Å; K233-E238 WeakPolarHBondContact CA-O 3.31Å; T236-E238 WeakPolarHBondContact CB-OE1 3.39Å; T236-E238 PolarHBondContact O-N 3.37Å; T236-E238 WeakPolarHBondContact OG1-CB 3.4Å; T236-E238 VanDerWaalsContact OG1-CD 3.29Å; T236-E238 WeakPolarHBondContact OG1-CG 3.37Å; T236-E238 PolarHBondContact OG1-N 3.41Å; T236-E238 PolarHBondContact OG1-OE1 2.91Å
239	D	95.3	Very high	95.8	Very high	126 Å²	126	77.6 Å²	77.6	67%	0.674	41%	0.412	S	S	*	.			trans	-86.5	113.7	170.6	-96.8	-56.8	0	0	0	109.8	K233 N237	K233-D239 VanDerWaalsContact CD-OD1 3.32Å; K233-D239 WeakPolarHBondContact CD-OD1 3.35Å; K233-D239 WeakPolarHBondContact CE-OD1 3.35Å; K233-D239 IonicContact NZ-OD1 2.61Å; K233-D239 PolarHBondContact NZ-OD1 3.25Å; K233-D239 IonicContact NZ-OD2 2.65Å; K233-D239 PolarHBondContact NZ-OD2 3.46Å; N237-D239 PolarHBondContact O-N 3.41Å
240	V	95.7	Very high	95.9	Very high	43 Å²	43	78 Å²	78	26%	0.261	41%	0.414	S	S	.	.			trans	-144.1	145.4	-177.6	68.3	0	0	0	0	110.4	P229 V232 E244 L245	P229-V240 HydrophobicContact CB-CG1 4.22Å; P229-V240 WeakPolarHBondContact CB-O 3.33Å; V232-V240 HydrophobicContact CG1-CG1 4.32Å; V240-E244 HydrophobicContact CG2-CB 3.55Å; V240-L245 HydrophobicContact CG1-CB 4.18Å; V240-L245 HydrophobicContact CG1-CD1 4.4Å; V240-L245 HydrophobicContact CG1-CD2 4.38Å; V240-L245 HydrophobicContact CG2-CB 4.01Å
241	T	95.7	Very high	96.2	Very high	76 Å²	76	70.5 Å²	70.5	47%	0.466	38%	0.379	S	S	.	.			trans	-85	168.9	174.4	63.8	0	0	0	0	112.6	E243 E244 L245	T241-E243 VanDerWaalsContact C-N 3.34Å; T241-E243 PolarHBondContact O-N 2.82Å; T241-E244 VanDerWaalsContact CB-OE2 3.29Å; T241-E244 WeakPolarHBondContact CB-OE2 3.42Å; T241-E244 VanDerWaalsContact CG2-OE2 3.31Å; T241-E244 WeakPolarHBondContact CG2-OE2 3.04Å; T241-E244 PolarHBondContact N-OE2 2.74Å; T241-E244 WeakPolarHBondContact OG1-CB 3.48Å; T241-E244 VanDerWaalsContact OG1-CD 3.25Å; T241-E244 VanDerWaalsContact OG1-CG 3.27Å; T241-E244 WeakPolarHBondContact OG1-CG 3.41Å; T241-E244 PolarHBondContact OG1-N 3.4Å; T241-E244 PolarHBondContact OG1-OE2 2.72Å; T241-L245 VanDerWaalsContact O-CB 3.28Å; T241-L245 WeakPolarHBondContact O-CB 3.42Å; T241-L245 PolarHBondContact O-N 3.25Å
242	Q	94.8	Very high	96.4	Very high	90 Å²	90	67.1 Å²	67.1	42%	0.421	36%	0.359	S	S	.	.	H	α-helix	trans	-61.4	-40.2	175.3	-69.9	-178.5	-21.4	0	0	112.5	Y223 F225 P229 G246 G247	Y223-Q242 HydrophobicContact CD1-CB 4.24Å; Y223-Q242 HydrophobicContact CE1-CB 4.29Å; Y223-Q242 VanDerWaalsContact CE1-OE1 3.22Å; Y223-Q242 HydrophobicContact CG-CB 4.43Å; Y223-Q242 PolarHBondContact OH-NE2 3.38Å; Y223-Q242 PolarHBondContact OH-OE1 3Å; F225-Q242 HydrophobicContact CE1-CB 4.34Å; F225-Q242 HydrophobicContact CE1-CG 4.21Å; F225-Q242 HydrophobicContact CZ-CG 4.46Å; P229-Q242 HydrophobicContact CG-CG 3.9Å; Q242-G246 PolarHBondContact O-N 3.25Å; Q242-G247 PolarHBondContact O-N 2.79Å
243	E	96	Very high	96.5	Very high	57 Å²	57	68.7 Å²	68.7	27%	0.266	37%	0.368	S	S	.	.	H	α-helix	trans	-71.9	-40.6	179.8	-178	56.6	-146.6	0	0	111.7	T241 G247 A248	T241-E243 VanDerWaalsContact C-N 3.34Å; T241-E243 PolarHBondContact O-N 2.82Å; E243-G247 VanDerWaalsContact CD-CA 3.43Å; E243-G247 WeakPolarHBondContact O-CA 3.49Å; E243-G247 PolarHBondContact O-N 2.91Å; E243-G247 WeakPolarHBondContact OE1-CA 3.38Å; E243-G247 VanDerWaalsContact OE2-CA 3.24Å; E243-G247 WeakPolarHBondContact OE2-CA 3.22Å; E243-A248 PolarHBondContact OE1-N 3.16Å
244	E	96.5	Very high	96.5	Very high	117 Å²	117	70 Å²	70	55%	0.547	38%	0.378	S	S	.	.	H	α-helix	trans	-64.2	-44.4	175.3	-71.6	163.1	138.5	0	0	111.7	V240 T241 T250	V240-E244 HydrophobicContact CG2-CB 3.55Å; T241-E244 VanDerWaalsContact CB-OE2 3.29Å; T241-E244 WeakPolarHBondContact CB-OE2 3.42Å; T241-E244 VanDerWaalsContact CG2-OE2 3.31Å; T241-E244 WeakPolarHBondContact CG2-OE2 3.04Å; T241-E244 PolarHBondContact N-OE2 2.74Å; T241-E244 WeakPolarHBondContact OG1-CB 3.48Å; T241-E244 VanDerWaalsContact OG1-CD 3.25Å; T241-E244 VanDerWaalsContact OG1-CG 3.27Å; T241-E244 WeakPolarHBondContact OG1-CG 3.41Å; T241-E244 PolarHBondContact OG1-N 3.4Å; T241-E244 PolarHBondContact OG1-OE2 2.72Å; E244-T250 PolarHBondContact O-OG1 3.38Å
245	L	96.4	Very high	96.6	Very high	54 Å²	54	69 Å²	69	28%	0.283	37%	0.366	S	S	.	.	H	α-helix	trans	-70	-43	-176.6	-178.1	61.9	0	0	0	113.3	F225 T227 P229 V232 V240 T241	F225-L245 HydrophobicContact CB-CD2 4.31Å; F225-L245 HydrophobicContact CB-CG 4.42Å; F225-L245 HydrophobicContact CD1-CD2 4.23Å; F225-L245 HydrophobicContact CG-CD2 4.27Å; T227-L245 WeakPolarHBondContact O-CD2 3.44Å; P229-L245 HydrophobicContact CB-CD2 4.41Å; P229-L245 HydrophobicContact CG-CD2 3.75Å; V232-L245 HydrophobicContact CG2-CD2 4.12Å; V240-L245 HydrophobicContact CG1-CB 4.18Å; V240-L245 HydrophobicContact CG1-CD1 4.4Å; V240-L245 HydrophobicContact CG1-CD2 4.38Å; V240-L245 HydrophobicContact CG2-CB 4.01Å; T241-L245 VanDerWaalsContact O-CB 3.28Å; T241-L245 WeakPolarHBondContact O-CB 3.42Å; T241-L245 PolarHBondContact O-N 3.25Å
246	G	97.5	Very high	96.5	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-146.4	14.1	-167	0	0	0	0	0	115	Y223 L224 Q242 H251	Y223-G246 CarbonylContact C-O 3.53Å; Y223-G246 WeakPolarHBondContact CA-O 3.43Å; Y223-G246 WeakPolarHBondContact CB-O 3.34Å; L224-G246 PolarHBondContact N-O 2.91Å; L224-G246 VanDerWaalsContact O-CA 3.22Å; L224-G246 WeakPolarHBondContact O-CA 3.25Å; Q242-G246 PolarHBondContact O-N 3.25Å; G246-H251 PolarHBondContact O-CD2 2.99Å; G246-H251 PolarHBondContact O-NE2 3.42Å
247	G	97.9	Very high	96.6	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-68	167.2	179.7	0	0	0	0	0	114.2	Q242 E243 K249 T250 H251	Q242-G247 PolarHBondContact O-N 2.79Å; E243-G247 VanDerWaalsContact CD-CA 3.43Å; E243-G247 WeakPolarHBondContact O-CA 3.49Å; E243-G247 PolarHBondContact O-N 2.91Å; E243-G247 WeakPolarHBondContact OE1-CA 3.38Å; E243-G247 VanDerWaalsContact OE2-CA 3.24Å; E243-G247 WeakPolarHBondContact OE2-CA 3.22Å; G247-K249 PolarHBondContact O-N 3.4Å; G247-T250 PolarHBondContact O-N 3.28Å; G247-T250 VanDerWaalsContact O-N 3.13Å; G247-H251 PolarHBondContact O-N 3.04Å; G247-H251 VanDerWaalsContact O-N 3.11Å
248	A	98	Very high	96.8	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.008	30%	0.295	C	S	.	.	H	α-helix	trans	-57.3	-35	-178.2	0	0	0	0	0	112.3	M217 E243 T252 A261	M217-A248 HydrophobicContact CB-CB 3.84Å; M217-A248 HydrophobicContact CE-CB 4.31Å; M217-A248 HydrophobicContact SD-CB 4.49Å; E243-A248 PolarHBondContact OE1-N 3.16Å; A248-T252 WeakPolarHBondContact O-CB 3.16Å; A248-T252 WeakPolarHBondContact O-CG2 3.39Å; A248-T252 PolarHBondContact O-N 3.11Å; A248-T252 VanDerWaalsContact O-N 3.1Å; A248-T252 PolarHBondContact O-OG1 3.36Å; A248-A261 HydrophobicContact CB-CB 4.09Å
249	K	97.7	Very high	97	Very high	154 Å²	154	51 Å²	51	67%	0.67	27%	0.27	S	S	*	.	H	α-helix	trans	-65.9	-48.7	176.1	-176.8	178.1	175.9	-175.3	0	112	G247 H251 T252 T253	G247-K249 PolarHBondContact O-N 3.4Å; K249-H251 VanDerWaalsContact C-N 3.3Å; K249-H251 PolarHBondContact O-N 3.48Å; K249-T252 PolarHBondContact O-N 2.99Å; K249-T252 PolarHBondContact O-OG1 2.81Å; K249-T253 WeakPolarHBondContact O-CB 3.27Å; K249-T253 WeakPolarHBondContact O-CG2 3.15Å; K249-T253 PolarHBondContact O-N 2.97Å; K249-T253 VanDerWaalsContact O-N 3.08Å; K249-T253 PolarHBondContact O-OG1 3.42Å
250	T	97.8	Very high	97.1	Very high	28 Å²	28	45.3 Å²	45.3	17%	0.172	24%	0.242	C	C	.	.	H	α-helix	trans	-60.5	-41.4	-179.7	-63.4	0	0	0	0	111.1	E244 G247 I254 S255	E244-T250 PolarHBondContact O-OG1 3.38Å; G247-T250 PolarHBondContact O-N 3.28Å; G247-T250 VanDerWaalsContact O-N 3.13Å; T250-I254 PolarHBondContact O-N 2.88Å; T250-S255 PolarHBondContact O-N 3.38Å; T250-S255 VanDerWaalsContact O-N 3.15Å
251	H	98.4	Very high	97.3	Very high	15 Å²	15	43.9 Å²	43.9	7%	0.069	23%	0.234	C	C	.	.	H	α-helix	trans	-77.7	-24.9	-179.2	-72.4	-39.2	0	0	0	116	M217 L224 G246 G247 K249 S255 G256 V257 A258	M217-H251 HydrophobicContact SD-CB 3.76Å; L224-H251 PolarHBondContact O-NE2 3.09Å; G246-H251 PolarHBondContact O-CD2 2.99Å; G246-H251 PolarHBondContact O-NE2 3.42Å; G247-H251 PolarHBondContact O-N 3.04Å; G247-H251 VanDerWaalsContact O-N 3.11Å; K249-H251 VanDerWaalsContact C-N 3.3Å; K249-H251 PolarHBondContact O-N 3.48Å; H251-S255 PolarHBondContact ND1-OG 3.24Å; H251-G256 WeakPolarHBondContact O-CA 3.37Å; H251-G256 PolarHBondContact O-N 3.01Å; H251-V257 HydrophobicContact CB-CB 4.26Å; H251-V257 PolarHBondContact O-N 2.91Å; H251-V257 VanDerWaalsContact O-N 3.1Å; H251-A258 HydrophobicContact CB-CB 3.74Å; H251-A258 PolarHBondContact O-N 2.8Å; H251-A258 VanDerWaalsContact O-N 3.08Å
252	T	98.1	Very high	97.4	Very high	8 Å²	8	41.7 Å²	41.7	5%	0.049	22%	0.218	C	C	.	.	H	α-helix	trans	-91.2	-12.8	176.4	52.4	0	0	0	0	114.4	A248 K249 A258 A261 H336 D337	A248-T252 WeakPolarHBondContact O-CB 3.16Å; A248-T252 WeakPolarHBondContact O-CG2 3.39Å; A248-T252 PolarHBondContact O-N 3.11Å; A248-T252 VanDerWaalsContact O-N 3.1Å; A248-T252 PolarHBondContact O-OG1 3.36Å; K249-T252 PolarHBondContact O-N 2.99Å; K249-T252 PolarHBondContact O-OG1 2.81Å; T252-A258 HydrophobicContact CG2-CB 3.62Å; T252-A261 HydrophobicContact CG2-CB 3.83Å; T252-H336 CarbonylContact O-C 3.6Å; T252-D337 VanDerWaalsContact O-CB 3.29Å; T252-D337 WeakPolarHBondContact O-CB 3.43Å; T252-D337 PolarHBondContact O-N 2.94Å
253	T	97.3	Very high	97.5	Very high	55 Å²	55	42.9 Å²	42.9	34%	0.337	22%	0.223	S	C	.	.	H	α-helix	trans	-124	-27.3	-174.1	66.2	0	0	0	0	115.8	K249 H336	K249-T253 WeakPolarHBondContact O-CB 3.27Å; K249-T253 WeakPolarHBondContact O-CG2 3.15Å; K249-T253 PolarHBondContact O-N 2.97Å; K249-T253 VanDerWaalsContact O-N 3.08Å; K249-T253 PolarHBondContact O-OG1 3.42Å; T253-H336 HydrophobicContact CG2-CB 3.8Å
254	I	96.4	Very high	97.7	Very high	123 Å²	123	43.4 Å²	43.4	63%	0.631	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.6	-58.1	-174.2	-59.1	171.5	0	0	0	111.3	T250	T250-I254 PolarHBondContact O-N 2.88Å
255	S	96.8	Very high	97.7	Very high	62 Å²	62	38 Å²	38	43%	0.434	20%	0.203	S	C	.	.	S	Bend	trans	-87.1	-14.7	-173.3	79.5	0	0	0	0	113.8	T250 H251 V257	T250-S255 PolarHBondContact O-N 3.38Å; T250-S255 VanDerWaalsContact O-N 3.15Å; H251-S255 PolarHBondContact ND1-OG 3.24Å; S255-V257 PolarHBondContact O-N 3.06Å; S255-V257 WeakPolarHBondContact OG-CG2 3.33Å
256	G	96	Very high	97.9	Very high	7 Å²	7	38.3 Å²	38.3	7%	0.072	21%	0.207	C	C	.	.			trans	59.7	29.4	179.9	0	0	0	0	0	114.3	H251 R334	H251-G256 WeakPolarHBondContact O-CA 3.37Å; H251-G256 PolarHBondContact O-N 3.01Å; G256-R334 PolarHBondContact O-NH1 3.45Å; G256-R334 PolarHBondContact O-NH2 3.26Å
257	V	97.9	Very high	97.9	Very high	47 Å²	47	40.7 Å²	40.7	29%	0.285	22%	0.22	S	C	.	.			trans	-81.1	-43.7	177.4	169.9	0	0	0	0	109.9	I215 L224 H251 S255 H259	I215-V257 HydrophobicContact CD1-CG1 3.92Å; L224-V257 HydrophobicContact CD2-CG1 4.37Å; H251-V257 HydrophobicContact CB-CB 4.26Å; H251-V257 PolarHBondContact O-N 2.91Å; H251-V257 VanDerWaalsContact O-N 3.1Å; S255-V257 PolarHBondContact O-N 3.06Å; S255-V257 WeakPolarHBondContact OG-CG2 3.33Å; V257-H259 PolarHBondContact O-CE1 2.8Å; V257-H259 PolarHBondContact O-ND1 2.67Å
258	A	98.5	Very high	97.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.22	C	C	.	.			trans	-87.7	142	178.6	0	0	0	0	0	111.2	M217 H251 T252	M217-A258 HydrophobicContact CG-CB 3.89Å; M217-A258 HydrophobicContact SD-CB 3.76Å; H251-A258 HydrophobicContact CB-CB 3.74Å; H251-A258 PolarHBondContact O-N 2.8Å; H251-A258 VanDerWaalsContact O-N 3.08Å; T252-A258 HydrophobicContact CG2-CB 3.62Å
259	H	98.6	Very high	97.9	Very high	7 Å²	7	40.7 Å²	40.7	3%	0.032	22%	0.22	C	C	.	.	S	Bend	trans	-93.5	-19.5	-176.6	-63.2	73.1	0	0	0	112.2	F214 I215 F216 V257 I333 R334	F214-H259 HydrophobicContact CD1-CB 4.36Å; F214-H259 AromaticContact CD1-CD2 3.81Å; I215-H259 PolarHBondContact N-ND1 3.46Å; I215-H259 WeakPolarHBondContact O-CB 3.48Å; I215-H259 PolarHBondContact O-N 3.17Å; I215-H259 PolarHBondContact O-ND1 2.78Å; F216-H259 HydrophobicContact CD1-CB 4.39Å; F216-H259 HydrophobicContact CE1-CB 4.14Å; V257-H259 PolarHBondContact O-CE1 2.8Å; V257-H259 PolarHBondContact O-ND1 2.67Å; H259-I333 HydrophobicContact CB-CG2 4.25Å; H259-R334 HydrophobicContact CB-CG 4.45Å; H259-R334 WeakPolarHBondContact O-CA 3.44Å; H259-R334 PolarHBondContact O-N 3.15Å
260	G	98.1	Very high	98	Very high	8 Å²	8	37.9 Å²	37.9	8%	0.082	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.1	164.5	172.5	0	0	0	0	0	110.8	M217	M217-G260 PolarHBondContact N-O 3.5Å; M217-G260 VanDerWaalsContact N-O 3.12Å
261	A	98.2	Very high	98	Very high	12 Å²	12	39 Å²	39	10%	0.099	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	145.3	172.6	0	0	0	0	0	110.6	M217 R219 A248 T252	M217-A261 CarbonylContact O-C 3.53Å; M217-A261 WeakPolarHBondContact O-CA 3.49Å; R219-A261 HydrophobicContact CG-CB 4.22Å; R219-A261 VanDerWaalsContact CZ-O 3.23Å; R219-A261 PolarHBondContact NH1-O 2.82Å; R219-A261 PolarHBondContact NH2-O 3.29Å; A248-A261 HydrophobicContact CB-CB 4.09Å; T252-A261 HydrophobicContact CG2-CB 3.83Å
262	Y	98.4	Very high	98	Very high	30 Å²	30	38.4 Å²	38.4	12%	0.118	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	154.4	-171.9	-65.6	-86.3	0	0	0	110.9	F216 M217 R219 N264 D267 M268 N271 F331	F216-Y262 HydrophobicContact CB-CE2 4.25Å; F216-Y262 AromaticContact CD1-CE2 3.78Å; F216-Y262 HydrophobicContact CD1-CE2 3.78Å; F216-Y262 HydrophobicContact CE1-CE2 4.44Å; F216-Y262 HydrophobicContact CG-CE2 4.21Å; M217-Y262 PolarHBondContact O-N 3.2Å; R219-Y262 WeakPolarHBondContact CG-O 3.44Å; R219-Y262 PolarHBondContact N-O 3Å; R219-Y262 VanDerWaalsContact NH1-C 3.27Å; R219-Y262 VanDerWaalsContact NH1-CA 3.29Å; Y262-N264 PolarHBondContact O-N 2.77Å; Y262-D267 WeakPolarHBondContact CB-OD2 3.41Å; Y262-M268 HydrophobicContact CD2-CB 4.48Å; Y262-M268 HydrophobicContact CD2-CE 3.38Å; Y262-M268 HydrophobicContact CD2-CG 4.49Å; Y262-M268 HydrophobicContact CD2-SD 3.25Å; Y262-M268 WeakPolarHBondContact CD2-SD 3.05Å; Y262-M268 HydrophobicContact CE2-CE 3.33Å; Y262-M268 HydrophobicContact CE2-SD 3.81Å; Y262-M268 HydrophobicContact CG-CB 4.26Å; Y262-M268 HydrophobicContact CG-CE 4.13Å; Y262-M268 HydrophobicContact CG-SD 3.99Å; Y262-N271 HydrophobicContact CD1-CB 3.91Å; Y262-N271 HydrophobicContact CE1-CB 3.34Å; Y262-F331 VanDerWaalsContact OH-CZ 3.26Å; Y262-F331 WeakPolarHBondContact OH-CZ 3.27Å
263	E	98	Very high	98	Very high	115 Å²	115	39.4 Å²	39.4	54%	0.537	22%	0.216	S	C	.	.	S	Bend	trans	-69.1	-32.6	-167.8	-65.2	-56.6	131.9	0	0	113.3	R219 D267	R219-E263 WeakPolarHBondContact CD-OE1 3.43Å; R219-E263 IonicContact CZ-OE1 3.91Å; R219-E263 IonicContact NE-OE1 2.98Å; R219-E263 PolarHBondContact NE-OE1 2.8Å; R219-E263 IonicContact NH1-OE1 3.13Å; R219-E263 PolarHBondContact NH1-OE1 3.07Å; E263-D267 PolarHBondContact N-OD2 2.98Å
264	N	98.4	Very high	97.9	Very high	69 Å²	69	40.2 Å²	40.2	37%	0.369	22%	0.216	S	C	.	.	S	Bend	trans	-159.5	173.3	-178.3	58.4	76.3	0	0	0	111.1	V218 Y262 V266 D267 M268	V218-N264 VanDerWaalsContact CG1-C 3.49Å; V218-N264 VanDerWaalsContact CG1-CA 3.43Å; Y262-N264 PolarHBondContact O-N 2.77Å; N264-V266 VanDerWaalsContact C-N 3.27Å; N264-V266 PolarHBondContact O-N 3.43Å; N264-V266 WeakPolarHBondContact OD1-CA 3.48Å; N264-V266 WeakPolarHBondContact OD1-CB 3.18Å; N264-V266 PolarHBondContact OD1-N 3.17Å; N264-D267 PolarHBondContact O-N 3.36Å; N264-D267 PolarHBondContact OD1-N 2.7Å; N264-M268 WeakPolarHBondContact O-CB 3.3Å; N264-M268 PolarHBondContact O-N 2.75Å
265	D	98.5	Very high	98	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.016	19%	0.186	C	C	.	.	H	α-helix	trans	-54.6	-37.9	179.4	-76.8	11.5	0	0	0	113.4	L67 R72 M198 L269	L67-D265 HydrophobicContact CB-CB 4.37Å; L67-D265 WeakPolarHBondContact CB-OD2 3.33Å; L67-D265 HydrophobicContact CD1-CB 3.83Å; L67-D265 HydrophobicContact CG-CB 3.89Å; L67-D265 PolarHBondContact N-OD2 2.81Å; R72-D265 IonicContact CZ-OD2 2.73Å; R72-D265 IonicContact NE-OD2 2.66Å; R72-D265 PolarHBondContact NE-OD2 3.34Å; R72-D265 IonicContact NH2-OD1 3.45Å; R72-D265 IonicContact NH2-OD2 3.54Å; R72-D265 PolarHBondContact NH2-OD2 3.41Å; M198-D265 HydrophobicContact CE-CB 3.65Å; M198-D265 VanDerWaalsContact CE-CG 3.48Å; D265-L269 WeakPolarHBondContact O-CB 3.06Å; D265-L269 WeakPolarHBondContact O-CD1 3.16Å; D265-L269 WeakPolarHBondContact O-CG 3.49Å; D265-L269 PolarHBondContact O-N 2.71Å; D265-L269 VanDerWaalsContact O-N 3.09Å
266	V	98.6	Very high	98.1	Very high	61 Å²	61	31.7 Å²	31.7	37%	0.37	17%	0.167	S	C	.	.	H	α-helix	trans	-73.1	-48.9	-178	-176.1	0	0	0	0	110.7	L67 L75 N264 M268 L269 L270	L67-V266 HydrophobicContact CD1-CG2 4.24Å; L75-V266 HydrophobicContact CD1-CG2 4.01Å; N264-V266 VanDerWaalsContact C-N 3.27Å; N264-V266 PolarHBondContact O-N 3.43Å; N264-V266 WeakPolarHBondContact OD1-CA 3.48Å; N264-V266 WeakPolarHBondContact OD1-CB 3.18Å; N264-V266 PolarHBondContact OD1-N 3.17Å; V266-M268 VanDerWaalsContact C-N 3.32Å; V266-M268 PolarHBondContact O-N 3.2Å; V266-L269 PolarHBondContact O-N 3.09Å; V266-L270 HydrophobicContact CG1-CD1 3.97Å; V266-L270 HydrophobicContact CG1-CG 4.38Å; V266-L270 WeakPolarHBondContact O-CG 3.35Å; V266-L270 PolarHBondContact O-N 2.94Å
267	D	98.3	Very high	98	Very high	50 Å²	50	32.9 Å²	32.9	27%	0.267	17%	0.172	S	C	.	.	H	α-helix	trans	-54.9	-47.7	175.4	176.3	41.5	0	0	0	111.3	Y262 E263 N264 N271	Y262-D267 WeakPolarHBondContact CB-OD2 3.41Å; E263-D267 PolarHBondContact N-OD2 2.98Å; N264-D267 PolarHBondContact O-N 3.36Å; N264-D267 PolarHBondContact OD1-N 2.7Å; D267-N271 WeakPolarHBondContact O-CB 3.24Å; D267-N271 PolarHBondContact O-N 3.13Å; D267-N271 PolarHBondContact O-ND2 2.92Å; D267-N271 PolarHBondContact OD1-ND2 2.78Å
268	M	98.5	Very high	98	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-56.7	-52	175	176.5	69	-88.2	0	0	112.4	V196 M198 F216 V218 Y262 N264 V266 L270 N271 L272	V196-M268 HydrophobicContact CG1-CG 3.41Å; V196-M268 VanDerWaalsContact CG1-CG 3.41Å; V196-M268 HydrophobicContact CG1-SD 3.59Å; V196-M268 VanDerWaalsContact CG1-SD 3.59Å; M198-M268 HydrophobicContact CE-CG 4.42Å; F216-M268 HydrophobicContact CB-CE 3.59Å; F216-M268 HydrophobicContact CB-SD 3.42Å; F216-M268 WeakPolarHBondContact CB-SD 3.31Å; F216-M268 HydrophobicContact CD2-CE 4.17Å; F216-M268 HydrophobicContact CG-CE 3.88Å; F216-M268 HydrophobicContact CG-SD 4.35Å; V218-M268 HydrophobicContact CG2-CB 4.07Å; V218-M268 HydrophobicContact CG2-CG 4.11Å; Y262-M268 HydrophobicContact CD2-CB 4.48Å; Y262-M268 HydrophobicContact CD2-CE 3.38Å; Y262-M268 HydrophobicContact CD2-CG 4.49Å; Y262-M268 HydrophobicContact CD2-SD 3.25Å; Y262-M268 WeakPolarHBondContact CD2-SD 3.05Å; Y262-M268 HydrophobicContact CE2-CE 3.33Å; Y262-M268 HydrophobicContact CE2-SD 3.81Å; Y262-M268 HydrophobicContact CG-CB 4.26Å; Y262-M268 HydrophobicContact CG-CE 4.13Å; Y262-M268 HydrophobicContact CG-SD 3.99Å; N264-M268 WeakPolarHBondContact O-CB 3.3Å; N264-M268 PolarHBondContact O-N 2.75Å; V266-M268 VanDerWaalsContact C-N 3.32Å; V266-M268 PolarHBondContact O-N 3.2Å; M268-L270 PolarHBondContact O-N 3.12Å; M268-N271 PolarHBondContact O-N 2.7Å; M268-L272 HydrophobicContact CE-CB 4.18Å; M268-L272 WeakPolarHBondContact O-CB 3.13Å; M268-L272 PolarHBondContact O-N 2.8Å
269	L	98.6	Very high	98	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-69.7	-34.6	-173.9	-69	169.9	0	0	0	112.6	R72 L75 L76 L159 M198 D265 V266 L272 R273	R72-L269 HydrophobicContact CB-CD1 3.91Å; R72-L269 HydrophobicContact CG-CD1 4.08Å; R72-L269 WeakPolarHBondContact O-CD1 3.39Å; L75-L269 HydrophobicContact CB-CD1 4.09Å; L75-L269 HydrophobicContact CD1-CD1 4.34Å; L76-L269 HydrophobicContact CB-CD2 4.24Å; L76-L269 HydrophobicContact CD1-CD2 4.25Å; L159-L269 HydrophobicContact CD1-CD2 4.39Å; L159-L269 HydrophobicContact CD2-CD2 4.12Å; M198-L269 HydrophobicContact CE-CD1 3.96Å; M198-L269 HydrophobicContact CE-CD2 4.19Å; M198-L269 HydrophobicContact CE-CG 3.89Å; M198-L269 HydrophobicContact SD-CD2 4.36Å; D265-L269 WeakPolarHBondContact O-CB 3.06Å; D265-L269 WeakPolarHBondContact O-CD1 3.16Å; D265-L269 WeakPolarHBondContact O-CG 3.49Å; D265-L269 PolarHBondContact O-N 2.71Å; D265-L269 VanDerWaalsContact O-N 3.09Å; V266-L269 PolarHBondContact O-N 3.09Å; L269-L272 PolarHBondContact O-N 3.43Å; L269-R273 WeakPolarHBondContact O-CG 3.47Å; L269-R273 PolarHBondContact O-N 2.86Å; L269-R273 VanDerWaalsContact O-N 3.11Å
270	L	98	Very high	98	Very high	96 Å²	96	30.8 Å²	30.8	50%	0.503	16%	0.159	S	C	.	.	H	α-helix	trans	-65.9	-46.8	172.9	-67.6	175.7	0	0	0	111.7	V266 M268 L272 R273 E274	V266-L270 HydrophobicContact CG1-CD1 3.97Å; V266-L270 HydrophobicContact CG1-CG 4.38Å; V266-L270 WeakPolarHBondContact O-CG 3.35Å; V266-L270 PolarHBondContact O-N 2.94Å; M268-L270 PolarHBondContact O-N 3.12Å; L270-L272 VanDerWaalsContact C-N 3.27Å; L270-L272 PolarHBondContact O-N 3.02Å; L270-R273 WeakPolarHBondContact O-CB 3.47Å; L270-R273 PolarHBondContact O-N 3.35Å; L270-R273 VanDerWaalsContact O-N 3.16Å; L270-E274 PolarHBondContact O-N 2.98Å
271	N	98.2	Very high	98	Very high	52 Å²	52	31.3 Å²	31.3	28%	0.278	16%	0.16	S	C	.	.	H	α-helix	trans	-63.3	-33.3	175.5	-81.6	-90.3	0	0	0	112.5	Y262 D267 M268 E274 F275	Y262-N271 HydrophobicContact CD1-CB 3.91Å; Y262-N271 HydrophobicContact CE1-CB 3.34Å; D267-N271 WeakPolarHBondContact O-CB 3.24Å; D267-N271 PolarHBondContact O-N 3.13Å; D267-N271 PolarHBondContact O-ND2 2.92Å; D267-N271 PolarHBondContact OD1-ND2 2.78Å; M268-N271 PolarHBondContact O-N 2.7Å; N271-E274 PolarHBondContact O-N 3.49Å; N271-F275 WeakPolarHBondContact O-CB 3.42Å; N271-F275 PolarHBondContact O-N 3.07Å
272	L	98.5	Very high	98.1	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-65.2	-39.3	174.1	-179.8	55.2	0	0	0	111.9	L76 I157 I194 V196 F216 M268 L269 L270 E274 F275 M276	L76-L272 HydrophobicContact CD1-CD2 3.87Å; L76-L272 HydrophobicContact CD1-CG 4.12Å; I157-L272 HydrophobicContact CD1-CD2 4.16Å; I157-L272 HydrophobicContact CD1-CG 4.46Å; I157-L272 HydrophobicContact CG2-CD2 3.97Å; I194-L272 HydrophobicContact CG2-CD1 3.86Å; V196-L272 HydrophobicContact CG2-CD2 3.58Å; F216-L272 HydrophobicContact CE2-CD1 4.49Å; M268-L272 HydrophobicContact CE-CB 4.18Å; M268-L272 WeakPolarHBondContact O-CB 3.13Å; M268-L272 PolarHBondContact O-N 2.8Å; L269-L272 PolarHBondContact O-N 3.43Å; L270-L272 VanDerWaalsContact C-N 3.27Å; L270-L272 PolarHBondContact O-N 3.02Å; L272-E274 VanDerWaalsContact C-N 3.34Å; L272-E274 PolarHBondContact O-N 3.03Å; L272-F275 HydrophobicContact CD1-CD1 4.06Å; L272-F275 WeakPolarHBondContact O-CB 3.41Å; L272-F275 PolarHBondContact O-N 3.39Å; L272-M276 HydrophobicContact CD1-CG 4.09Å; L272-M276 HydrophobicContact CD1-SD 4.33Å; L272-M276 HydrophobicContact CG-CG 4.4Å; L272-M276 VanDerWaalsContact O-CG 3.26Å; L272-M276 WeakPolarHBondContact O-CG 3.42Å; L272-M276 PolarHBondContact O-N 3.37Å
273	R	98	Very high	98.1	Very high	29 Å²	29	32.4 Å²	32.4	11%	0.109	17%	0.166	C	C	.	.	H	α-helix	trans	-59.8	-44.7	175.1	-70.8	177.9	57.1	89	3.8	111.4	L76 F77 D78 I115 Y116 L269 L270 M276 N277	L76-R273 HydrophobicContact CD1-CG 4.26Å; L76-R273 WeakPolarHBondContact O-CD 3.41Å; L76-R273 WeakPolarHBondContact O-CG 3.46Å; L76-R273 PolarHBondContact O-NH1 3Å; F77-R273 VanDerWaalsContact C-NH1 3.32Å; D78-R273 IonicContact OD1-CZ 3.68Å; D78-R273 IonicContact OD1-NH1 3.48Å; D78-R273 PolarHBondContact OD1-NH1 3.27Å; D78-R273 IonicContact OD1-NH2 3.2Å; D78-R273 PolarHBondContact OD1-NH2 2.94Å; I115-R273 HydrophobicContact CG2-CB 4.16Å; I115-R273 HydrophobicContact CG2-CG 4.06Å; Y116-R273 VanDerWaalsContact CE1-NH2 3.31Å; Y116-R273 HydrophobicContact CE2-CB 4.14Å; Y116-R273 WeakPolarHBondContact CE2-O 3.22Å; L269-R273 WeakPolarHBondContact O-CG 3.47Å; L269-R273 PolarHBondContact O-N 2.86Å; L269-R273 VanDerWaalsContact O-N 3.11Å; L270-R273 WeakPolarHBondContact O-CB 3.47Å; L270-R273 PolarHBondContact O-N 3.35Å; L270-R273 VanDerWaalsContact O-N 3.16Å; R273-M276 PolarHBondContact O-N 3.5Å; R273-N277 PolarHBondContact O-N 3.41Å
274	E	96.3	Very high	98	Very high	72 Å²	72	35.6 Å²	35.6	34%	0.336	18%	0.178	S	C	.	.	H	α-helix	trans	-63.2	-43.1	174	-67.9	-45.6	120.4	0	0	112.7	Y116 L270 N271 L272 M276 N277 F278	Y116-E274 PolarHBondContact OH-OE1 2.95Å; L270-E274 PolarHBondContact O-N 2.98Å; N271-E274 PolarHBondContact O-N 3.49Å; L272-E274 VanDerWaalsContact C-N 3.34Å; L272-E274 PolarHBondContact O-N 3.03Å; E274-M276 VanDerWaalsContact C-N 3.35Å; E274-M276 PolarHBondContact O-N 2.84Å; E274-N277 WeakPolarHBondContact O-CB 3.14Å; E274-N277 PolarHBondContact O-N 2.86Å; E274-F278 WeakPolarHBondContact O-CD2 3.29Å
275	F	98	Very high	97.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-58.1	-45.3	176.2	-178.2	-116.6	0	0	0	112.6	I194 F214 F216 N271 L272 N277 F278 L279 F331 I333 F345	I194-F275 HydrophobicContact CG1-CE1 4.16Å; F214-F275 HydrophobicContact CB-CE1 4.33Å; F214-F275 AromaticContact CD1-CZ 3.99Å; F214-F275 HydrophobicContact CD1-CZ 3.99Å; F214-F275 AromaticContact CD2-CE1 3.67Å; F214-F275 HydrophobicContact CD2-CE1 3.67Å; F214-F275 AromaticContact CD2-CZ 3.51Å; F214-F275 HydrophobicContact CD2-CZ 3.51Å; F214-F275 HydrophobicContact CE1-CZ 4.06Å; F214-F275 HydrophobicContact CE2-CE1 4.13Å; F214-F275 AromaticContact CE2-CZ 3.58Å; F214-F275 HydrophobicContact CE2-CZ 3.58Å; F214-F275 AromaticContact CG-CE1 3.94Å; F214-F275 HydrophobicContact CG-CE1 3.94Å; F214-F275 AromaticContact CG-CZ 3.72Å; F214-F275 HydrophobicContact CG-CZ 3.72Å; F214-F275 AromaticContact CZ-CZ 3.88Å; F214-F275 HydrophobicContact CZ-CZ 3.88Å; F216-F275 AromaticContact CE2-CD1 3.77Å; F216-F275 HydrophobicContact CE2-CD1 3.77Å; F216-F275 AromaticContact CE2-CE1 3.82Å; F216-F275 HydrophobicContact CE2-CE1 3.82Å; F216-F275 HydrophobicContact CE2-CG 4.38Å; F216-F275 HydrophobicContact CE2-CZ 4.48Å; F216-F275 AromaticContact CZ-CD1 3.99Å; F216-F275 HydrophobicContact CZ-CD1 3.99Å; F216-F275 HydrophobicContact CZ-CD2 4.43Å; F216-F275 AromaticContact CZ-CE1 3.96Å; F216-F275 HydrophobicContact CZ-CE1 3.96Å; F216-F275 HydrophobicContact CZ-CE2 4.41Å; F216-F275 HydrophobicContact CZ-CG 4.23Å; F216-F275 HydrophobicContact CZ-CZ 4.18Å; N271-F275 WeakPolarHBondContact O-CB 3.42Å; N271-F275 PolarHBondContact O-N 3.07Å; L272-F275 HydrophobicContact CD1-CD1 4.06Å; L272-F275 WeakPolarHBondContact O-CB 3.41Å; L272-F275 PolarHBondContact O-N 3.39Å; F275-N277 PolarHBondContact O-N 2.82Å; F275-N277 VanDerWaalsContact O-N 3.14Å; F275-F278 PolarHBondContact O-N 3.12Å; F275-L279 HydrophobicContact CD1-CD1 4.37Å; F275-L279 HydrophobicContact CE1-CD1 3.77Å; F275-L279 HydrophobicContact CE1-CG 4.45Å; F275-L279 HydrophobicContact CZ-CD1 4.07Å; F275-L279 HydrophobicContact CZ-CD2 4.24Å; F275-L279 HydrophobicContact CZ-CG 4.44Å; F275-F331 HydrophobicContact CB-CD2 4.39Å; F275-F331 HydrophobicContact CB-CE1 4.36Å; F275-F331 HydrophobicContact CB-CE2 3.72Å; F275-F331 HydrophobicContact CB-CZ 3.7Å; F275-F331 AromaticContact CD2-CD1 3.59Å; F275-F331 HydrophobicContact CD2-CD1 3.59Å; F275-F331 HydrophobicContact CD2-CD2 4.26Å; F275-F331 AromaticContact CD2-CE1 3.36Å; F275-F331 HydrophobicContact CD2-CE1 3.36Å; F275-F331 HydrophobicContact CD2-CE2 4.06Å; F275-F331 HydrophobicContact CD2-CG 4.05Å; F275-F331 AromaticContact CD2-CZ 3.61Å; F275-F331 HydrophobicContact CD2-CZ 3.61Å; F275-F331 HydrophobicContact CE2-CD1 4.02Å; F275-F331 AromaticContact CE2-CE1 3.89Å; F275-F331 HydrophobicContact CE2-CE1 3.89Å; F275-F331 HydrophobicContact CG-CE1 4.05Å; F275-F331 HydrophobicContact CG-CE2 4.29Å; F275-F331 AromaticContact CG-CZ 3.86Å; F275-F331 HydrophobicContact CG-CZ 3.86Å; F275-I333 HydrophobicContact CE2-CD1 3.94Å; F275-I333 HydrophobicContact CZ-CD1 4.38Å; F275-F345 AromaticContact CE2-CD2 3.72Å; F275-F345 HydrophobicContact CE2-CD2 3.72Å; F275-F345 AromaticContact CE2-CE2 3.67Å; F275-F345 HydrophobicContact CE2-CE2 3.67Å; F275-F345 HydrophobicContact CZ-CE2 4.08Å
276	M	97.9	Very high	97.7	Very high	7 Å²	7	42.3 Å²	42.3	3%	0.034	21%	0.207	C	C	.	.	H	α-helix	trans	-61	-22.8	177.1	-69.9	-55.3	-65	0	0	112.8	I115 R118 P155 I157 I194 L272 R273 E274 F278 L279	I115-M276 HydrophobicContact CD1-CB 4.49Å; I115-M276 HydrophobicContact CD1-CG 4.05Å; I115-M276 HydrophobicContact CG2-CB 4.3Å; R118-M276 PolarHBondContact NH1-O 3.47Å; P155-M276 HydrophobicContact CB-CE 3.57Å; P155-M276 HydrophobicContact CG-CE 3.66Å; I157-M276 HydrophobicContact CD1-CE 4.46Å; I157-M276 HydrophobicContact CD1-CG 4.23Å; I157-M276 HydrophobicContact CD1-SD 4.21Å; I194-M276 HydrophobicContact CD1-CE 4.11Å; I194-M276 HydrophobicContact CD1-SD 3.5Å; I194-M276 WeakPolarHBondContact CD1-SD 3.25Å; I194-M276 HydrophobicContact CG1-SD 4.09Å; L272-M276 HydrophobicContact CD1-CG 4.09Å; L272-M276 HydrophobicContact CD1-SD 4.33Å; L272-M276 HydrophobicContact CG-CG 4.4Å; L272-M276 VanDerWaalsContact O-CG 3.26Å; L272-M276 WeakPolarHBondContact O-CG 3.42Å; L272-M276 PolarHBondContact O-N 3.37Å; R273-M276 PolarHBondContact O-N 3.5Å; E274-M276 VanDerWaalsContact C-N 3.35Å; E274-M276 PolarHBondContact O-N 2.84Å; M276-F278 VanDerWaalsContact C-N 3.25Å; M276-F278 PolarHBondContact O-N 2.89Å; M276-L279 PolarHBondContact O-N 3.01Å; M276-L279 HydrophobicContact SD-CD1 4.31Å
277	N	95.4	Very high	97.5	Very high	32 Å²	32	40.2 Å²	40.2	17%	0.171	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-9.9	175.4	-156.1	18.5	0	0	0	113.4	Y116 R273 E274 F275 P288 R347	Y116-N277 HydrophobicContact CD2-CB 4.15Å; Y116-N277 HydrophobicContact CE2-CB 4.35Å; R273-N277 PolarHBondContact O-N 3.41Å; E274-N277 WeakPolarHBondContact O-CB 3.14Å; E274-N277 PolarHBondContact O-N 2.86Å; F275-N277 PolarHBondContact O-N 2.82Å; F275-N277 VanDerWaalsContact O-N 3.14Å; N277-P288 WeakPolarHBondContact O-CG 3.34Å; N277-R347 VanDerWaalsContact C-NH2 3.28Å; N277-R347 PolarHBondContact O-NH2 3.49Å
278	F	98	Very high	97.4	Very high	9 Å²	9	39.3 Å²	39.3	4%	0.039	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-29.8	171	-70.8	-88.2	0	0	0	112.9	E274 F275 M276 A287 F331 F345 R347 T352	E274-F278 WeakPolarHBondContact O-CD2 3.29Å; F275-F278 PolarHBondContact O-N 3.12Å; M276-F278 VanDerWaalsContact C-N 3.25Å; M276-F278 PolarHBondContact O-N 2.89Å; F278-A287 WeakPolarHBondContact O-CB 3.47Å; F278-F331 HydrophobicContact CE2-CB 4.05Å; F278-F331 HydrophobicContact CZ-CB 4.33Å; F278-F345 HydrophobicContact CB-CB 4.16Å; F278-F345 HydrophobicContact CB-CG 4.42Å; F278-F345 HydrophobicContact CD1-CB 3.71Å; F278-F345 HydrophobicContact CE1-CB 4.22Å; F278-F345 HydrophobicContact CG-CB 3.93Å; F278-R347 HydrophobicContact CD1-CG 4.37Å; F278-R347 HydrophobicContact CE1-CG 4.08Å; F278-R347 VanDerWaalsContact CE1-NH1 3.31Å; F278-R347 VanDerWaalsContact CZ-NH1 3.35Å; F278-T352 HydrophobicContact CB-CG2 4.08Å; F278-T352 HydrophobicContact CD1-CG2 4.1Å; F278-T352 WeakPolarHBondContact O-CB 3.36Å; F278-T352 WeakPolarHBondContact O-CG2 3.4Å; F278-T352 PolarHBondContact O-OG1 3.42Å
279	L	98.3	Very high	97.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	-86.2	147.9	-169.9	-52.2	-173.2	0	0	0	112.4	R118 P192 I194 F214 F275 M276 P288 F345 F381 I387	R118-L279 PolarHBondContact NH1-O 2.73Å; R118-L279 PolarHBondContact NH2-O 3.19Å; P192-L279 HydrophobicContact CB-CD1 4Å; P192-L279 HydrophobicContact CG-CB 4.45Å; I194-L279 HydrophobicContact CD1-CD1 4.27Å; F214-L279 HydrophobicContact CE2-CD1 4.5Å; F275-L279 HydrophobicContact CD1-CD1 4.37Å; F275-L279 HydrophobicContact CE1-CD1 3.77Å; F275-L279 HydrophobicContact CE1-CG 4.45Å; F275-L279 HydrophobicContact CZ-CD1 4.07Å; F275-L279 HydrophobicContact CZ-CD2 4.24Å; F275-L279 HydrophobicContact CZ-CG 4.44Å; M276-L279 PolarHBondContact O-N 3.01Å; M276-L279 HydrophobicContact SD-CD1 4.31Å; L279-P288 VanDerWaalsContact O-CD 3.23Å; L279-P288 WeakPolarHBondContact O-CD 3.26Å; L279-F345 HydrophobicContact CD2-CE2 4.39Å; L279-F345 HydrophobicContact CD2-CZ 4.21Å; L279-F381 HydrophobicContact CD1-CZ 4.34Å; L279-F381 HydrophobicContact CD2-CE1 3.8Å; L279-F381 HydrophobicContact CD2-CZ 3.82Å; L279-I387 HydrophobicContact CD2-CD1 4.41Å
280	P	98.3	Very high	97	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.232	C	C	.	.			trans	-67.3	173.2	163.7	33.7	-38.3	0	0	0	111.1	P192 F385	P192-P280 WeakPolarHBondContact CG-O 3.3Å; P280-F385 HydrophobicContact CG-CB 3.76Å; P280-F385 HydrophobicContact CG-CD1 3.99Å; P280-F385 HydrophobicContact CG-CG 4.26Å
281	L	98.4	Very high	96.8	Very high	20 Å²	20	48.2 Å²	48.2	11%	0.105	25%	0.246	C	C	.	.	S	Bend	trans	-80.4	-30	173.8	-66.4	176.6	0	0	0	113.3	R118 P119 G153 P155 P192	R118-L281 HydrophobicContact CB-CD2 4.11Å; P119-L281 HydrophobicContact CG-CD1 4.07Å; G153-L281 CarbonylContact O-C 3.59Å; G153-L281 WeakPolarHBondContact O-CB 3.39Å; P155-L281 WeakPolarHBondContact CD-O 3.41Å; P155-L281 HydrophobicContact CG-CD2 3.96Å; P192-L281 WeakPolarHBondContact CD-O 3.48Å
282	N	98.7	Very high	96.6	Very high	12 Å²	12	47.4 Å²	47.4	6%	0.064	24%	0.243	C	C	.	.	S	Bend	trans	-160	172.5	-178.2	58.9	75	0	0	0	110.3	G153 V190 I191 K284 E285	G153-N282 WeakPolarHBondContact O-CB 3.25Å; G153-N282 PolarHBondContact O-ND2 3.05Å; V190-N282 CarbonylContact O-C 3.52Å; V190-N282 VanDerWaalsContact O-CA 3.3Å; V190-N282 WeakPolarHBondContact O-CA 3.26Å; V190-N282 WeakPolarHBondContact O-CB 3.22Å; I191-N282 HydrophobicContact CG2-CB 4.12Å; N282-K284 PolarHBondContact O-N 3.32Å; N282-K284 VanDerWaalsContact O-N 3.17Å; N282-K284 WeakPolarHBondContact OD1-CA 3.21Å; N282-K284 WeakPolarHBondContact OD1-CB 3.48Å; N282-K284 PolarHBondContact OD1-N 3.16Å; N282-E285 PolarHBondContact ND2-OE1 3.09Å; N282-E285 PolarHBondContact O-N 2.63Å; N282-E285 PolarHBondContact OD1-N 3.13Å
283	N	98.4	Very high	96.4	Very high	52 Å²	52	55.3 Å²	55.3	28%	0.278	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	0.2	-178.4	72.2	-0.1	0	0	0	116.4	G189 V190 S384 F385 N386	G189-N283 WeakPolarHBondContact O-CB 3.27Å; G189-N283 PolarHBondContact O-ND2 2.83Å; V190-N283 PolarHBondContact O-N 3.37Å; N283-S384 WeakPolarHBondContact CB-O 3.47Å; N283-F385 HydrophobicContact CB-CD1 4.32Å; N283-F385 HydrophobicContact CB-CE1 4.41Å; N283-N386 PolarHBondContact O-ND2 3.44Å
284	K	97.3	Very high	96.3	Very high	182 Å²	182	54.9 Å²	54.9	79%	0.791	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	-17.5	174.8	-56.7	177.2	-175.9	168	0	112.8	N282	N282-K284 PolarHBondContact O-N 3.32Å; N282-K284 VanDerWaalsContact O-N 3.17Å; N282-K284 WeakPolarHBondContact OD1-CA 3.21Å; N282-K284 WeakPolarHBondContact OD1-CB 3.48Å; N282-K284 PolarHBondContact OD1-N 3.16Å
285	E	95.2	Very high	96.3	Very high	85 Å²	85	54.7 Å²	54.7	40%	0.397	29%	0.29	S	S	.	.	S	Bend	trans	-95.4	162.9	178.5	-75.2	172.5	-137.2	0	0	111.4	N282 N386	N282-E285 PolarHBondContact ND2-OE1 3.09Å; N282-E285 PolarHBondContact O-N 2.63Å; N282-E285 PolarHBondContact OD1-N 3.13Å; E285-N386 PolarHBondContact O-ND2 2.95Å
286	Q	94.2	Very high	96.3	Very high	129 Å²	129	59 Å²	59	60%	0.603	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-89	158.5	168.7	-64.7	-63	-47.8	0	0	109.6
287	A	95.3	Very high	96.2	Very high	16 Å²	16	61.9 Å²	61.9	13%	0.132	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-59	148.7	168.1	0	0	0	0	0	110.7	F278 T352	F278-A287 WeakPolarHBondContact O-CB 3.47Å; A287-T352 HydrophobicContact CB-CG2 4.47Å
288	P	95.1	Very high	96.3	Very high	31 Å²	31	63.2 Å²	63.2	20%	0.201	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-62.7	140.4	179.1	29.9	-38.3	0	0	0	111	N277 L279	N277-P288 WeakPolarHBondContact O-CG 3.34Å; L279-P288 VanDerWaalsContact O-CD 3.23Å; L279-P288 WeakPolarHBondContact O-CD 3.26Å
289	V	95.9	Very high	96.3	Very high	96 Å²	96	65.2 Å²	65.2	58%	0.582	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-91.9	120	175.7	-172.8	0	0	0	0	108.8	G350 R351	V289-G350 CarbonylContact C-O 3.53Å; V289-G350 WeakPolarHBondContact CA-O 3.2Å; V289-R351 HydrophobicContact CG1-CG 4.31Å; V289-R351 HydrophobicContact CG2-CG 4.17Å
290	R	93.7	Very high	96.2	Very high	66 Å²	66	65.6 Å²	65.6	25%	0.249	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-92.2	127.1	172.9	167.9	171.2	163.7	-176.7	-8.6	108.9	T292 E327 E329 G350	R290-T292 PolarHBondContact O-N 3.48Å; R290-E327 IonicContact CZ-OE2 3.94Å; R290-E327 IonicContact NH2-OE1 3.54Å; R290-E327 IonicContact NH2-OE2 2.74Å; R290-E327 PolarHBondContact NH2-OE2 2.89Å; R290-E329 IonicContact CZ-OE1 3.57Å; R290-E329 VanDerWaalsContact CZ-OE1 3.24Å; R290-E329 IonicContact CZ-OE2 3.99Å; R290-E329 IonicContact NH1-OE1 2.82Å; R290-E329 PolarHBondContact NH1-OE1 3.34Å; R290-E329 IonicContact NH1-OE2 3.39Å; R290-E329 PolarHBondContact NH1-OE2 3.16Å; R290-E329 IonicContact NH2-OE1 2.8Å; R290-E329 PolarHBondContact NH2-OE1 2.99Å; R290-E329 IonicContact NH2-OE2 3.23Å; R290-G350 PolarHBondContact N-O 3.44Å; R290-G350 WeakPolarHBondContact O-CA 3.45Å
291	P	93.6	Very high	96.2	Very high	122 Å²	122	69.7 Å²	69.7	79%	0.792	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-57.3	135.1	166.1	-22	33.6	0	0	0	110.2
292	T	94.9	Very high	96.1	Very high	34 Å²	34	71.9 Å²	71.9	21%	0.209	38%	0.382	C	S	.	.			trans	-136.6	143.7	179.3	-179.3	0	0	0	0	109.7	R290 D294 E327	R290-T292 PolarHBondContact O-N 3.48Å; T292-D294 VanDerWaalsContact C-N 3.35Å; T292-D294 WeakPolarHBondContact OG1-CB 3.25Å; T292-D294 PolarHBondContact OG1-N 2.92Å; T292-D294 VanDerWaalsContact OG1-N 3.14Å; T292-E327 VanDerWaalsContact CB-OE1 3.22Å; T292-E327 WeakPolarHBondContact CB-OE1 3.46Å; T292-E327 PolarHBondContact OG1-OE1 3.43Å
293	D	94.2	Very high	96	Very high	167 Å²	167	71.5 Å²	71.5	89%	0.893	38%	0.38	S	S	*	.			trans	-89.6	-2.4	172.4	-67.5	-43.1	0	0	0	112.1	P295	D293-P295 VanDerWaalsContact O-CD 3.24Å; D293-P295 WeakPolarHBondContact O-CD 3.31Å
294	D	95.8	Very high	95.9	Very high	20 Å²	20	73.2 Å²	73.2	11%	0.107	39%	0.386	C	S	.	.	S	Bend	trans	-74.7	112.1	177.1	-173.1	-29	0	0	0	110.8	T292 W296 R298 D326 E327 R513	T292-D294 VanDerWaalsContact C-N 3.35Å; T292-D294 WeakPolarHBondContact OG1-CB 3.25Å; T292-D294 PolarHBondContact OG1-N 2.92Å; T292-D294 VanDerWaalsContact OG1-N 3.14Å; D294-W296 PolarHBondContact O-N 2.99Å; D294-R298 WeakPolarHBondContact OD1-CD 3.47Å; D294-R298 IonicContact OD1-CZ 3.63Å; D294-R298 IonicContact OD1-NE 2.81Å; D294-R298 PolarHBondContact OD1-NE 2.97Å; D294-R298 IonicContact OD1-NH2 3.61Å; D294-R298 IonicContact OD2-CZ 2.8Å; D294-R298 IonicContact OD2-NE 3.2Å; D294-R298 PolarHBondContact OD2-NE 3.36Å; D294-R298 IonicContact OD2-NH2 3.34Å; D294-R298 PolarHBondContact OD2-NH2 2.95Å; D294-D326 HydrophobicContact CB-CB 4.42Å; D294-D326 WeakPolarHBondContact OD2-CA 3.34Å; D294-E327 HydrophobicContact CB-CG 4.27Å; D294-E327 PolarHBondContact OD2-N 3.07Å; D294-R513 PolarHBondContact O-NH2 3.2Å; D294-R513 IonicContact OD1-CZ 3.82Å; D294-R513 VanDerWaalsContact OD1-CZ 3.25Å; D294-R513 IonicContact OD1-NE 2.99Å; D294-R513 PolarHBondContact OD1-NE 3.5Å; D294-R513 IonicContact OD1-NH2 2.75Å; D294-R513 PolarHBondContact OD1-NH2 2.93Å; D294-R513 IonicContact OD2-CZ 3.83Å; D294-R513 IonicContact OD2-NH2 2.87Å
295	P	96.9	Very high	95.8	Very high	68 Å²	68	70.2 Å²	70.2	44%	0.442	38%	0.383	S	S	.	.			trans	-62.4	125.4	-174.7	-21.7	34.2	0	0	0	112.2	D293 D297 R298 R513	D293-P295 VanDerWaalsContact O-CD 3.24Å; D293-P295 WeakPolarHBondContact O-CD 3.31Å; P295-D297 PolarHBondContact O-N 3.06Å; P295-R298 HydrophobicContact CB-CB 4.41Å; P295-R298 WeakPolarHBondContact O-CG 3.38Å; P295-R298 PolarHBondContact O-N 3Å; P295-R513 PolarHBondContact O-NE 3.5Å; P295-R513 PolarHBondContact O-NH2 2.84Å
296	W	96.7	Very high	95.9	Very high	91 Å²	91	66.9 Å²	66.9	35%	0.345	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-23.7	178.5	69.2	-96.2	0	0	0	112.9	D294 N349 R514 C517 R518	D294-W296 PolarHBondContact O-N 2.99Å; W296-N349 HydrophobicContact CB-CB 3.85Å; W296-R514 HydrophobicContact CE3-CG 4.5Å; W296-R514 HydrophobicContact CZ3-CG 3.95Å; W296-C517 HydrophobicContact CB-CB 4.09Å; W296-C517 HydrophobicContact CE3-CB 3.95Å; W296-C517 WeakPolarHBondContact O-CB 3.32Å; W296-C517 PolarHBondContact O-SG 3.28Å; W296-R518 HydrophobicContact CE3-CG 4.33Å; W296-R518 HydrophobicContact CH2-CG 4.17Å; W296-R518 HydrophobicContact CZ3-CG 3.51Å
297	D	96.8	Very high	96	Very high	68 Å²	68	61.5 Å²	61.5	36%	0.364	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	8.4	-176.5	74.2	-28.1	0	0	0	114.8	P295 D299 R514	P295-D297 PolarHBondContact O-N 3.06Å; D297-D299 PolarHBondContact O-N 2.73Å; D297-R514 HydrophobicContact CB-CG 3.92Å; D297-R514 PolarHBondContact O-NE 3.39Å; D297-R514 PolarHBondContact O-NH2 3.39Å
298	R	96.9	Very high	96	Very high	59 Å²	59	62.5 Å²	62.5	22%	0.223	35%	0.349	C	S	.	.			trans	-59.3	138.1	176.3	70.1	173.7	162	87.3	-2.4	111.6	D294 P295 A323 V325 R513	D294-R298 WeakPolarHBondContact OD1-CD 3.47Å; D294-R298 IonicContact OD1-CZ 3.63Å; D294-R298 IonicContact OD1-NE 2.81Å; D294-R298 PolarHBondContact OD1-NE 2.97Å; D294-R298 IonicContact OD1-NH2 3.61Å; D294-R298 IonicContact OD2-CZ 2.8Å; D294-R298 IonicContact OD2-NE 3.2Å; D294-R298 PolarHBondContact OD2-NE 3.36Å; D294-R298 IonicContact OD2-NH2 3.34Å; D294-R298 PolarHBondContact OD2-NH2 2.95Å; P295-R298 HydrophobicContact CB-CB 4.41Å; P295-R298 WeakPolarHBondContact O-CG 3.38Å; P295-R298 PolarHBondContact O-N 3Å; R298-A323 PolarHBondContact NH1-O 3.5Å; R298-V325 PolarHBondContact NH2-O 3.43Å; R298-R513 VanDerWaalsContact CZ-CD 3.45Å
299	D	96.9	Very high	95.8	Very high	52 Å²	52	70 Å²	70	28%	0.278	39%	0.387	S	S	.	.			trans	-73.2	153.8	161	-84.2	0	0	0	0	109.1	D297 P301 R510 R514	D297-D299 PolarHBondContact O-N 2.73Å; D299-P301 WeakPolarHBondContact O-CD 3.24Å; D299-R510 CarbonylContact C-O 3.49Å; D299-R510 WeakPolarHBondContact CA-O 3.37Å; D299-R510 HydrophobicContact CB-CB 4.43Å; D299-R510 IonicContact OD2-NE 2.85Å; D299-R514 IonicContact OD1-CZ 3.7Å; D299-R514 IonicContact OD1-NH1 3.06Å; D299-R514 PolarHBondContact OD1-NH1 2.87Å; D299-R514 IonicContact OD1-NH2 3.54Å; D299-R514 PolarHBondContact OD1-NH2 3.43Å; D299-R514 IonicContact OD2-NH2 2.72Å
300	V	97.5	Very high	95.4	Very high	7 Å²	7	71 Å²	71	4%	0.042	39%	0.385	C	S	.	.			trans	-125	80.5	-177.2	-165.2	0	0	0	0	109.1	S302 L303 A323 R510 R513	V300-S302 VanDerWaalsContact C-N 3.26Å; V300-S302 PolarHBondContact O-N 3.19Å; V300-S302 VanDerWaalsContact O-N 3.14Å; V300-L303 HydrophobicContact CB-CD1 3.84Å; V300-L303 HydrophobicContact CB-CG 3.98Å; V300-L303 HydrophobicContact CG1-CD1 4.02Å; V300-L303 HydrophobicContact CG1-CG 3.81Å; V300-L303 HydrophobicContact CG2-CD1 4.46Å; V300-L303 WeakPolarHBondContact O-CB 3.26Å; V300-L303 PolarHBondContact O-N 2.91Å; V300-L303 VanDerWaalsContact O-N 3.09Å; V300-A323 HydrophobicContact CG1-CB 3.75Å; V300-A323 WeakPolarHBondContact CG1-O 3.46Å; V300-R510 PolarHBondContact N-O 2.84Å; V300-R510 WeakPolarHBondContact O-CA 3.42Å; V300-R510 WeakPolarHBondContact O-CB 3.42Å; V300-R513 HydrophobicContact CG2-CB 3.88Å
301	P	97.1	Very high	94.9	Very high	87 Å²	87	70.9 Å²	70.9	57%	0.565	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-57.4	-32.2	-168.4	-28.3	36.5	0	0	0	115.1	D299 L303 Q304	D299-P301 WeakPolarHBondContact O-CD 3.24Å; P301-L303 PolarHBondContact O-N 2.86Å; P301-L303 VanDerWaalsContact O-N 3.15Å; P301-Q304 PolarHBondContact O-N 3.42Å; P301-Q304 VanDerWaalsContact O-N 3.07Å
302	S	96.3	Very high	94.6	Very high	66 Å²	66	70.4 Å²	70.4	46%	0.462	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-56.7	-28.3	177.7	48.9	0	0	0	0	113.8	V300 Q304 T305 V306	V300-S302 VanDerWaalsContact C-N 3.26Å; V300-S302 PolarHBondContact O-N 3.19Å; V300-S302 VanDerWaalsContact O-N 3.14Å; S302-Q304 PolarHBondContact O-N 3.23Å; S302-T305 PolarHBondContact O-N 2.71Å; S302-T305 PolarHBondContact O-OG1 2.86Å; S302-V306 PolarHBondContact O-N 2.8Å
303	L	97.5	Very high	94.5	Very high	3 Å²	3	70.1 Å²	70.1	2%	0.016	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-66.9	-19.2	178.8	-59.5	-175.9	0	0	0	113.2	V300 P301 T305 V306 V320 A323 L324 W456 P509	V300-L303 HydrophobicContact CB-CD1 3.84Å; V300-L303 HydrophobicContact CB-CG 3.98Å; V300-L303 HydrophobicContact CG1-CD1 4.02Å; V300-L303 HydrophobicContact CG1-CG 3.81Å; V300-L303 HydrophobicContact CG2-CD1 4.46Å; V300-L303 WeakPolarHBondContact O-CB 3.26Å; V300-L303 PolarHBondContact O-N 2.91Å; V300-L303 VanDerWaalsContact O-N 3.09Å; P301-L303 PolarHBondContact O-N 2.86Å; P301-L303 VanDerWaalsContact O-N 3.15Å; L303-T305 VanDerWaalsContact C-N 3.26Å; L303-T305 PolarHBondContact O-N 3.4Å; L303-V306 HydrophobicContact CD2-CG1 4.4Å; L303-V320 HydrophobicContact CD2-CB 4.32Å; L303-V320 HydrophobicContact CD2-CG1 4.03Å; L303-V320 HydrophobicContact CD2-CG2 4.32Å; L303-A323 HydrophobicContact CD2-CB 4.14Å; L303-L324 HydrophobicContact CD1-CD2 3.7Å; L303-L324 HydrophobicContact CD1-CG 4.21Å; L303-W456 HydrophobicContact CB-CH2 4.11Å; L303-W456 HydrophobicContact CB-CZ2 4.24Å; L303-W456 HydrophobicContact CD1-CZ2 4.22Å; L303-W456 HydrophobicContact CD2-CH2 4.21Å; L303-P509 HydrophobicContact CB-CB 3.95Å; L303-P509 WeakPolarHBondContact CD1-O 3.18Å; L303-P509 WeakPolarHBondContact O-CB 3.49Å
304	Q	96	Very high	94.5	Very high	89 Å²	89	65 Å²	65	42%	0.416	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-71.2	-19.7	175.7	-74.9	-176.5	-41.2	0	0	113.3	P301 S302 E508 P509 R510	P301-Q304 PolarHBondContact O-N 3.42Å; P301-Q304 VanDerWaalsContact O-N 3.07Å; S302-Q304 PolarHBondContact O-N 3.23Å; Q304-E508 PolarHBondContact NE2-OE2 3.21Å; Q304-P509 HydrophobicContact CG-CB 4.38Å; Q304-R510 HydrophobicContact CG-CB 4.1Å; Q304-R510 HydrophobicContact CG-CG 4.25Å
305	T	95.6	Very high	94.6	Very high	118 Å²	118	64.9 Å²	64.9	72%	0.724	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.1	0.1	-175.1	56.5	0	0	0	0	114.1	S302 L303	S302-T305 PolarHBondContact O-N 2.71Å; S302-T305 PolarHBondContact O-OG1 2.86Å; L303-T305 VanDerWaalsContact C-N 3.26Å; L303-T305 PolarHBondContact O-N 3.4Å
306	V	96.7	Very high	94.7	Very high	16 Å²	16	62.6 Å²	62.6	10%	0.097	35%	0.354	C	S	.	.	S	Bend	trans	-70.4	-31.1	-177.7	71.4	0	0	0	0	113	S302 L303 P308 Y315 E319 V320 W456	S302-V306 PolarHBondContact O-N 2.8Å; L303-V306 HydrophobicContact CD2-CG1 4.4Å; V306-P308 WeakPolarHBondContact O-CD 3.5Å; V306-Y315 HydrophobicContact CG2-CD2 4.01Å; V306-Y315 VanDerWaalsContact O-CB 3.3Å; V306-Y315 WeakPolarHBondContact O-CB 3.39Å; V306-E319 HydrophobicContact CG2-CB 4.22Å; V306-V320 HydrophobicContact CG1-CG2 3.85Å; V306-V320 HydrophobicContact CG2-CG2 3.9Å; V306-W456 HydrophobicContact CG1-CH2 4Å; V306-W456 HydrophobicContact CG1-CZ3 3.75Å
307	V	96.6	Very high	94.7	Very high	15 Å²	15	58.2 Å²	58.2	9%	0.091	34%	0.338	C	S	.	.	S	Bend	trans	-84.2	120.2	174.1	-176.4	0	0	0	0	108.8	Y315 R433 W456 T458	V307-Y315 HydrophobicContact CG1-CE1 4.4Å; V307-Y315 HydrophobicContact CG2-CE1 4.13Å; V307-R433 HydrophobicContact CG1-CB 4.18Å; V307-R433 HydrophobicContact CG1-CG 4.21Å; V307-W456 HydrophobicContact CG2-CE3 3.8Å; V307-W456 HydrophobicContact CG2-CZ3 3.67Å; V307-T458 HydrophobicContact CB-CG2 4.44Å; V307-T458 HydrophobicContact CG1-CG2 4.23Å
308	P	95.5	Very high	94.8	Very high	37 Å²	37	56.3 Å²	56.3	24%	0.24	33%	0.327	C	S	.	.			trans	-63.5	143.5	176.7	-22.5	34.5	0	0	0	111.7	V306 E310 A313	V306-P308 WeakPolarHBondContact O-CD 3.5Å; P308-E310 PolarHBondContact O-N 2.79Å; P308-A313 HydrophobicContact CB-CB 3.71Å; P308-A313 HydrophobicContact CG-CB 3.96Å
309	L	90.1	Very high	94.8	Very high	188 Å²	188	59 Å²	59	98%	0.984	34%	0.342	S	S	*	.	S	Bend	trans	-61.8	-28.6	173.1	-63.2	176.3	0	0	0	112.3
310	E	88.8	Confident	94.9	Very high	117 Å²	117	56.6 Å²	56.6	55%	0.547	33%	0.329	S	S	.	.	S	Bend	trans	-80	116.6	174.3	-167.7	-164.7	143.3	0	0	110.2	P308 T312 A313	P308-E310 PolarHBondContact O-N 2.79Å; E310-T312 WeakPolarHBondContact CG-OG1 3.48Å; E310-T312 PolarHBondContact O-N 2.78Å; E310-T312 VanDerWaalsContact O-N 3.13Å; E310-T312 WeakPolarHBondContact OE1-CB 3.23Å; E310-T312 PolarHBondContact OE1-OG1 3.5Å; E310-A313 HydrophobicContact CB-CB 4.06Å; E310-A313 PolarHBondContact O-N 3.24Å
311	S	82.6	Confident	95	Very high	64 Å²	64	56.2 Å²	56.2	45%	0.448	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-19.6	-177.1	65.5	0	0	0	0	113.9	K434	S311-K434 WeakPolarHBondContact O-CE 3.32Å; S311-K434 PolarHBondContact O-NZ 3.1Å
312	T	86.5	Confident	95	Very high	112 Å²	112	56.4 Å²	56.4	69%	0.687	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-19.5	174.2	24.3	0	0	0	0	114.4	E310	E310-T312 WeakPolarHBondContact CG-OG1 3.48Å; E310-T312 PolarHBondContact O-N 2.78Å; E310-T312 VanDerWaalsContact O-N 3.13Å; E310-T312 WeakPolarHBondContact OE1-CB 3.23Å; E310-T312 PolarHBondContact OE1-OG1 3.5Å
313	A	93.6	Very high	95.1	Very high	29 Å²	29	54 Å²	54	24%	0.24	30%	0.301	C	S	.	.			trans	-76	139.7	179.1	0	0	0	0	0	111.9	P308 E310 R433	P308-A313 HydrophobicContact CB-CB 3.71Å; P308-A313 HydrophobicContact CG-CB 3.96Å; E310-A313 HydrophobicContact CB-CB 4.06Å; E310-A313 PolarHBondContact O-N 3.24Å; A313-R433 PolarHBondContact O-NH1 3.11Å; A313-R433 PolarHBondContact O-NH2 3.27Å
314	A	95.3	Very high	95.2	Very high	60 Å²	60	54.1 Å²	54.1	50%	0.496	30%	0.302	S	S	.	.			trans	-89.3	157.3	173.9	0	0	0	0	0	111.4	P360	A314-P360 HydrophobicContact CB-CB 4.28Å; A314-P360 WeakPolarHBondContact CB-O 3.41Å
315	Y	97.4	Very high	95.3	Very high	16 Å²	16	49.9 Å²	49.9	6%	0.063	28%	0.282	C	S	.	.			trans	-134.3	165.4	166.2	65.7	-83.6	0	0	0	108.6	V306 V307 M317 V320 P360 K361 D394 T432	V306-Y315 HydrophobicContact CG2-CD2 4.01Å; V306-Y315 VanDerWaalsContact O-CB 3.3Å; V306-Y315 WeakPolarHBondContact O-CB 3.39Å; V307-Y315 HydrophobicContact CG1-CE1 4.4Å; V307-Y315 HydrophobicContact CG2-CE1 4.13Å; Y315-M317 HydrophobicContact CE2-CE 4.21Å; Y315-M317 HydrophobicContact CE2-SD 4.16Å; Y315-M317 VanDerWaalsContact OH-CE 3.26Å; Y315-M317 WeakPolarHBondContact OH-CE 3.33Å; Y315-V320 HydrophobicContact CD2-CG2 4.49Å; Y315-V320 HydrophobicContact CE2-CG2 3.95Å; Y315-P360 HydrophobicContact CD1-CB 4.5Å; Y315-P360 HydrophobicContact CD1-CG 4.23Å; Y315-P360 HydrophobicContact CE1-CB 4.48Å; Y315-P360 HydrophobicContact CE1-CG 3.79Å; Y315-K361 PolarHBondContact O-N 2.85Å; Y315-D394 VanDerWaalsContact CE1-OD2 3.3Å; Y315-D394 WeakPolarHBondContact CE1-OD2 3.13Å; Y315-T432 PolarHBondContact OH-OG1 3.33Å
316	D	97.6	Very high	95.4	Very high	20 Å²	20	44.5 Å²	44.5	11%	0.107	25%	0.249	C	C	.	.			trans	-87.2	116.6	175.7	-155.7	-25.2	0	0	0	110.5	L318 E319 N359 K361	D316-L318 PolarHBondContact O-N 2.93Å; D316-L318 WeakPolarHBondContact OD1-CB 3.36Å; D316-L318 PolarHBondContact OD1-N 2.93Å; D316-L318 VanDerWaalsContact OD1-N 3.12Å; D316-E319 HydrophobicContact CB-CG 4.25Å; D316-E319 WeakPolarHBondContact O-CB 3.48Å; D316-E319 PolarHBondContact O-N 2.56Å; D316-E319 VanDerWaalsContact O-N 3.12Å; D316-N359 PolarHBondContact OD1-ND2 3.47Å; D316-N359 PolarHBondContact OD1-OD1 2.83Å; D316-K361 HydrophobicContact CB-CD 3.89Å; D316-K361 WeakPolarHBondContact OD2-CD 3.22Å; D316-K361 WeakPolarHBondContact OD2-CE 3.4Å; D316-K361 IonicContact OD2-NZ 3.22Å; D316-K361 PolarHBondContact OD2-NZ 2.93Å
317	M	98.4	Very high	95.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-64.7	-21.6	177.2	-173.8	64.3	80.9	0	0	112.2	Y315 E319 V320 V321 A357 N358 N359 L392 D394 T432	Y315-M317 HydrophobicContact CE2-CE 4.21Å; Y315-M317 HydrophobicContact CE2-SD 4.16Å; Y315-M317 VanDerWaalsContact OH-CE 3.26Å; Y315-M317 WeakPolarHBondContact OH-CE 3.33Å; M317-E319 PolarHBondContact O-N 2.68Å; M317-V320 WeakPolarHBondContact O-CB 3.34Å; M317-V320 PolarHBondContact O-N 3.48Å; M317-V320 VanDerWaalsContact O-N 3.09Å; M317-V320 HydrophobicContact SD-CB 3.9Å; M317-V320 HydrophobicContact SD-CG1 4.31Å; M317-V320 HydrophobicContact SD-CG2 4Å; M317-V321 WeakPolarHBondContact O-CG2 3.47Å; M317-V321 PolarHBondContact O-N 3.35Å; M317-A357 HydrophobicContact CG-CB 3.66Å; M317-N358 VanDerWaalsContact CB-O 3.23Å; M317-N358 WeakPolarHBondContact CB-O 3.49Å; M317-N358 WeakPolarHBondContact CE-O 3.42Å; M317-N358 WeakPolarHBondContact CG-O 3.35Å; M317-N359 HydrophobicContact CB-CB 4.18Å; M317-N359 PolarHBondContact N-OD1 3.05Å; M317-L392 HydrophobicContact CE-CB 4.28Å; M317-L392 HydrophobicContact SD-CB 3.98Å; M317-L392 HydrophobicContact SD-CD1 4.12Å; M317-D394 HydrophobicContact CE-CB 4.05Å; M317-T432 HydrophobicContact CE-CG2 4.42Å
318	L	98.3	Very high	95.4	Very high	27 Å²	27	51.2 Å²	51.2	14%	0.141	28%	0.281	C	S	.	.	H	α-helix	trans	-60.8	-32.2	173.7	-74.4	169.4	0	0	0	112.5	D316 V320 V321 Y322 F330 V342	D316-L318 PolarHBondContact O-N 2.93Å; D316-L318 WeakPolarHBondContact OD1-CB 3.36Å; D316-L318 PolarHBondContact OD1-N 2.93Å; D316-L318 VanDerWaalsContact OD1-N 3.12Å; L318-V320 VanDerWaalsContact C-N 3.27Å; L318-V320 PolarHBondContact O-N 3.14Å; L318-V321 PolarHBondContact O-N 2.98Å; L318-Y322 HydrophobicContact CB-CD2 4.13Å; L318-Y322 HydrophobicContact CB-CE2 3.95Å; L318-Y322 HydrophobicContact CD2-CE2 4.29Å; L318-Y322 WeakPolarHBondContact O-CB 3.38Å; L318-Y322 WeakPolarHBondContact O-CD2 2.92Å; L318-Y322 PolarHBondContact O-N 3.09Å; L318-F330 HydrophobicContact CD2-CD1 4.22Å; L318-F330 HydrophobicContact CD2-CE1 4.09Å; L318-V342 HydrophobicContact CD2-CG1 3.77Å; L318-V342 HydrophobicContact CD2-CG2 4.12Å; L318-V342 HydrophobicContact CG-CG2 4.16Å
319	E	97.8	Very high	95.4	Very high	117 Å²	117	52.6 Å²	52.6	55%	0.547	28%	0.284	S	S	.	.	H	α-helix	trans	-61.5	-37.1	174.8	-67.9	172.4	-152	0	0	111.6	V306 D316 M317 A323	V306-E319 HydrophobicContact CG2-CB 4.22Å; D316-E319 HydrophobicContact CB-CG 4.25Å; D316-E319 WeakPolarHBondContact O-CB 3.48Å; D316-E319 PolarHBondContact O-N 2.56Å; D316-E319 VanDerWaalsContact O-N 3.12Å; M317-E319 PolarHBondContact O-N 2.68Å; E319-A323 WeakPolarHBondContact O-CB 3.22Å; E319-A323 PolarHBondContact O-N 2.73Å
320	V	98.5	Very high	95.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-69.4	-44.6	174	-176.4	0	0	0	0	110.8	L303 V306 Y315 M317 L318 A323 L324 L392 W456	L303-V320 HydrophobicContact CD2-CB 4.32Å; L303-V320 HydrophobicContact CD2-CG1 4.03Å; L303-V320 HydrophobicContact CD2-CG2 4.32Å; V306-V320 HydrophobicContact CG1-CG2 3.85Å; V306-V320 HydrophobicContact CG2-CG2 3.9Å; Y315-V320 HydrophobicContact CD2-CG2 4.49Å; Y315-V320 HydrophobicContact CE2-CG2 3.95Å; M317-V320 WeakPolarHBondContact O-CB 3.34Å; M317-V320 PolarHBondContact O-N 3.48Å; M317-V320 VanDerWaalsContact O-N 3.09Å; M317-V320 HydrophobicContact SD-CB 3.9Å; M317-V320 HydrophobicContact SD-CG1 4.31Å; M317-V320 HydrophobicContact SD-CG2 4Å; L318-V320 VanDerWaalsContact C-N 3.27Å; L318-V320 PolarHBondContact O-N 3.14Å; V320-A323 PolarHBondContact O-N 2.89Å; V320-L324 HydrophobicContact CG1-CD1 3.87Å; V320-L324 HydrophobicContact CG1-CG 4.44Å; V320-L324 WeakPolarHBondContact O-CB 3.41Å; V320-L324 VanDerWaalsContact O-CG 3.23Å; V320-L324 WeakPolarHBondContact O-CG 3.41Å; V320-L324 PolarHBondContact O-N 3.16Å; V320-L392 HydrophobicContact CG1-CD1 3.96Å; V320-W456 HydrophobicContact CG1-CH2 3.9Å; V320-W456 HydrophobicContact CG1-CZ2 4.33Å; V320-W456 HydrophobicContact CG2-CH2 4.21Å
321	V	98.6	Very high	96.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.6	-54.8	179.9	173.1	0	0	0	0	111.1	M317 L318 A323 L324 V325 F330 I355 A357 L392	M317-V321 WeakPolarHBondContact O-CG2 3.47Å; M317-V321 PolarHBondContact O-N 3.35Å; L318-V321 PolarHBondContact O-N 2.98Å; V321-A323 VanDerWaalsContact C-N 3.33Å; V321-A323 PolarHBondContact O-N 3.1Å; V321-L324 PolarHBondContact O-N 2.86Å; V321-L324 VanDerWaalsContact O-N 3.13Å; V321-V325 PolarHBondContact O-N 3Å; V321-F330 HydrophobicContact CG1-CB 4.28Å; V321-F330 HydrophobicContact CG1-CD1 3.83Å; V321-F330 HydrophobicContact CG1-CD2 3.63Å; V321-F330 HydrophobicContact CG1-CE1 3.99Å; V321-F330 HydrophobicContact CG1-CE2 3.81Å; V321-F330 HydrophobicContact CG1-CG 3.64Å; V321-F330 HydrophobicContact CG1-CZ 3.97Å; V321-I355 HydrophobicContact CG1-CD1 3.85Å; V321-I355 HydrophobicContact CG1-CG2 4.49Å; V321-I355 HydrophobicContact CG2-CG2 4.06Å; V321-A357 HydrophobicContact CG2-CB 4.3Å; V321-L392 HydrophobicContact CG2-CD1 3.82Å
322	Y	98.5	Very high	97	Very high	90 Å²	90	39.1 Å²	39.1	35%	0.353	21%	0.209	S	C	.	.	H	α-helix	trans	-57.5	-45.4	179.7	-74.3	-59	0	0	0	111.6	L318 L324 V325 N328 F330	L318-Y322 HydrophobicContact CB-CD2 4.13Å; L318-Y322 HydrophobicContact CB-CE2 3.95Å; L318-Y322 HydrophobicContact CD2-CE2 4.29Å; L318-Y322 WeakPolarHBondContact O-CB 3.38Å; L318-Y322 WeakPolarHBondContact O-CD2 2.92Å; L318-Y322 PolarHBondContact O-N 3.09Å; Y322-L324 PolarHBondContact O-N 3.07Å; Y322-V325 WeakPolarHBondContact O-CG2 3.42Å; Y322-N328 VanDerWaalsContact CD1-O 3.26Å; Y322-N328 WeakPolarHBondContact CD1-O 3.2Å; Y322-N328 PolarHBondContact O-OD1 2.94Å; Y322-F330 HydrophobicContact CD1-CB 3.93Å; Y322-F330 HydrophobicContact CE1-CB 3.65Å
323	A	98	Very high	97.6	Very high	15 Å²	15	34 Å²	34	12%	0.124	18%	0.177	C	C	.	.	H	α-helix	trans	-67.6	-19.8	-178.8	0	0	0	0	0	114.1	R298 V300 L303 E319 V320 V321	R298-A323 PolarHBondContact NH1-O 3.5Å; V300-A323 HydrophobicContact CG1-CB 3.75Å; V300-A323 WeakPolarHBondContact CG1-O 3.46Å; L303-A323 HydrophobicContact CD2-CB 4.14Å; E319-A323 WeakPolarHBondContact O-CB 3.22Å; E319-A323 PolarHBondContact O-N 2.73Å; V320-A323 PolarHBondContact O-N 2.89Å; V321-A323 VanDerWaalsContact C-N 3.33Å; V321-A323 PolarHBondContact O-N 3.1Å
324	L	98.3	Very high	97.8	Very high	6 Å²	6	33.5 Å²	33.5	3%	0.031	17%	0.169	C	C	.	.	H	α-helix	trans	-89.7	-37.8	178.5	-74.3	175.3	0	0	0	114.2	L303 V320 V321 Y322 L392 T512 R513 I516	L303-L324 HydrophobicContact CD1-CD2 3.7Å; L303-L324 HydrophobicContact CD1-CG 4.21Å; V320-L324 HydrophobicContact CG1-CD1 3.87Å; V320-L324 HydrophobicContact CG1-CG 4.44Å; V320-L324 WeakPolarHBondContact O-CB 3.41Å; V320-L324 VanDerWaalsContact O-CG 3.23Å; V320-L324 WeakPolarHBondContact O-CG 3.41Å; V320-L324 PolarHBondContact O-N 3.16Å; V321-L324 PolarHBondContact O-N 2.86Å; V321-L324 VanDerWaalsContact O-N 3.13Å; Y322-L324 PolarHBondContact O-N 3.07Å; L324-L392 HydrophobicContact CD1-CD1 4.18Å; L324-L392 HydrophobicContact CD1-CD2 4.15Å; L324-T512 HydrophobicContact CD1-CG2 4.16Å; L324-T512 HydrophobicContact CD2-CG2 3.72Å; L324-R513 HydrophobicContact CD2-CB 3.97Å; L324-R513 WeakPolarHBondContact O-CD 3.49Å; L324-R513 PolarHBondContact O-NH1 2.94Å; L324-I516 HydrophobicContact CD1-CD1 4.42Å
325	V	98.2	Very high	97.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.157	C	C	.	.	S	Bend	trans	-73.7	159.9	-177.1	-62.5	0	0	0	0	112.3	R298 V321 Y322 E327 E329 F330 R347 I355	R298-V325 PolarHBondContact NH2-O 3.43Å; V321-V325 PolarHBondContact O-N 3Å; Y322-V325 WeakPolarHBondContact O-CG2 3.42Å; V325-E327 PolarHBondContact O-N 3.43Å; V325-E329 WeakPolarHBondContact CG2-O 3.44Å; V325-F330 HydrophobicContact CG2-CB 4.46Å; V325-R347 WeakPolarHBondContact CA-O 3.31Å; V325-I355 HydrophobicContact CG1-CD1 3.49Å; V325-I355 VanDerWaalsContact CG1-CD1 3.49Å
326	D	98.1	Very high	97.9	Very high	5 Å²	5	35.6 Å²	35.6	3%	0.027	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-60.1	133.3	174.2	-59.6	-22.5	0	0	0	110.3	D294 N328 E329 R347 M348 N349 G350 R513	D294-D326 HydrophobicContact CB-CB 4.42Å; D294-D326 WeakPolarHBondContact OD2-CA 3.34Å; D326-N328 PolarHBondContact O-N 2.95Å; D326-E329 PolarHBondContact O-N 3.5Å; D326-R347 HydrophobicContact CB-CB 4.19Å; D326-R347 VanDerWaalsContact CG-C 3.49Å; D326-R347 VanDerWaalsContact CG-O 3.28Å; D326-R347 PolarHBondContact N-O 3.13Å; D326-R347 VanDerWaalsContact OD2-CB 3.25Å; D326-R347 WeakPolarHBondContact OD2-CB 3.1Å; D326-M348 WeakPolarHBondContact OD1-CA 3.49Å; D326-M348 VanDerWaalsContact OD2-C 3.24Å; D326-M348 VanDerWaalsContact OD2-CA 3.26Å; D326-M348 WeakPolarHBondContact OD2-CA 3.17Å; D326-M348 PolarHBondContact OD2-N 2.86Å; D326-N349 PolarHBondContact OD1-N 3.4Å; D326-N349 PolarHBondContact OD2-N 2.95Å; D326-G350 PolarHBondContact OD2-N 2.88Å; D326-R513 IonicContact OD1-CZ 2.8Å; D326-R513 IonicContact OD1-NH1 3.88Å; D326-R513 PolarHBondContact OD1-NH1 3.08Å; D326-R513 IonicContact OD1-NH2 3.32Å; D326-R513 PolarHBondContact OD1-NH2 2.91Å
327	E	96.4	Very high	97.8	Very high	78 Å²	78	34.9 Å²	34.9	36%	0.364	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	59.5	13.9	171.5	-63.5	165.2	-133	0	0	114.5	R290 T292 D294 V325 E329	R290-E327 IonicContact CZ-OE2 3.94Å; R290-E327 IonicContact NH2-OE1 3.54Å; R290-E327 IonicContact NH2-OE2 2.74Å; R290-E327 PolarHBondContact NH2-OE2 2.89Å; T292-E327 VanDerWaalsContact CB-OE1 3.22Å; T292-E327 WeakPolarHBondContact CB-OE1 3.46Å; T292-E327 PolarHBondContact OG1-OE1 3.43Å; D294-E327 HydrophobicContact CB-CG 4.27Å; D294-E327 PolarHBondContact OD2-N 3.07Å; V325-E327 PolarHBondContact O-N 3.43Å; E327-E329 HydrophobicContact CB-CG 4.21Å; E327-E329 PolarHBondContact O-N 3.17Å
328	N	96.6	Very high	97.7	Very high	95 Å²	95	35.6 Å²	35.6	51%	0.508	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	56.4	25	-166.9	-45.8	-59.4	0	0	0	113.6	Y322 D326 F330	Y322-N328 VanDerWaalsContact CD1-O 3.26Å; Y322-N328 WeakPolarHBondContact CD1-O 3.2Å; Y322-N328 PolarHBondContact O-OD1 2.94Å; D326-N328 PolarHBondContact O-N 2.95Å; N328-F330 PolarHBondContact O-N 2.75Å
329	E	96.9	Very high	97.7	Very high	65 Å²	65	38.3 Å²	38.3	30%	0.304	19%	0.185	S	C	.	.			trans	-84.1	111.8	177.7	-71.6	-171.8	177.3	0	0	111.9	R290 V325 D326 E327 R347	R290-E329 IonicContact CZ-OE1 3.57Å; R290-E329 VanDerWaalsContact CZ-OE1 3.24Å; R290-E329 IonicContact CZ-OE2 3.99Å; R290-E329 IonicContact NH1-OE1 2.82Å; R290-E329 PolarHBondContact NH1-OE1 3.34Å; R290-E329 IonicContact NH1-OE2 3.39Å; R290-E329 PolarHBondContact NH1-OE2 3.16Å; R290-E329 IonicContact NH2-OE1 2.8Å; R290-E329 PolarHBondContact NH2-OE1 2.99Å; R290-E329 IonicContact NH2-OE2 3.23Å; V325-E329 WeakPolarHBondContact CG2-O 3.44Å; D326-E329 PolarHBondContact O-N 3.5Å; E327-E329 HydrophobicContact CB-CG 4.21Å; E327-E329 PolarHBondContact O-N 3.17Å; E329-R347 IonicContact OE2-NH1 2.8Å
330	F	98.2	Very high	97.7	Very high	23 Å²	23	33 Å²	33	10%	0.101	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	120.8	174.4	-175.5	-115.3	0	0	0	112	L318 V321 Y322 V325 N328 E332 V342 G344 F345 I355	L318-F330 HydrophobicContact CD2-CD1 4.22Å; L318-F330 HydrophobicContact CD2-CE1 4.09Å; V321-F330 HydrophobicContact CG1-CB 4.28Å; V321-F330 HydrophobicContact CG1-CD1 3.83Å; V321-F330 HydrophobicContact CG1-CD2 3.63Å; V321-F330 HydrophobicContact CG1-CE1 3.99Å; V321-F330 HydrophobicContact CG1-CE2 3.81Å; V321-F330 HydrophobicContact CG1-CG 3.64Å; V321-F330 HydrophobicContact CG1-CZ 3.97Å; Y322-F330 HydrophobicContact CD1-CB 3.93Å; Y322-F330 HydrophobicContact CE1-CB 3.65Å; V325-F330 HydrophobicContact CG2-CB 4.46Å; N328-F330 PolarHBondContact O-N 2.75Å; F330-E332 HydrophobicContact CD1-CB 4.06Å; F330-E332 HydrophobicContact CE1-CB 3.72Å; F330-E332 HydrophobicContact CE1-CG 4Å; F330-E332 PolarHBondContact O-N 3.01Å; F330-V342 HydrophobicContact CE1-CG1 3.69Å; F330-V342 HydrophobicContact CZ-CG1 3.9Å; F330-G344 WeakPolarHBondContact CE2-O 3.34Å; F330-G344 VanDerWaalsContact CZ-CA 3.47Å; F330-F345 VanDerWaalsContact CD2-O 3.31Å; F330-F345 WeakPolarHBondContact CD2-O 3.18Å; F330-I355 HydrophobicContact CD2-CD1 4.19Å; F330-I355 HydrophobicContact CE2-CB 3.92Å; F330-I355 HydrophobicContact CE2-CD1 3.97Å; F330-I355 HydrophobicContact CE2-CG1 4.22Å; F330-I355 HydrophobicContact CZ-CB 4.38Å
331	F	98.2	Very high	97.7	Very high	24 Å²	24	33 Å²	33	11%	0.105	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	92.9	173.7	-164	-74.4	0	0	0	109.3	F216 Y262 F275 F278 I333 G344 F345	F216-F331 HydrophobicContact CE1-CE1 4.15Å; F216-F331 HydrophobicContact CE1-CZ 4.33Å; F216-F331 HydrophobicContact CZ-CE1 4.06Å; F216-F331 HydrophobicContact CZ-CZ 4.21Å; Y262-F331 VanDerWaalsContact OH-CZ 3.26Å; Y262-F331 WeakPolarHBondContact OH-CZ 3.27Å; F275-F331 HydrophobicContact CB-CD2 4.39Å; F275-F331 HydrophobicContact CB-CE1 4.36Å; F275-F331 HydrophobicContact CB-CE2 3.72Å; F275-F331 HydrophobicContact CB-CZ 3.7Å; F275-F331 AromaticContact CD2-CD1 3.59Å; F275-F331 HydrophobicContact CD2-CD1 3.59Å; F275-F331 HydrophobicContact CD2-CD2 4.26Å; F275-F331 AromaticContact CD2-CE1 3.36Å; F275-F331 HydrophobicContact CD2-CE1 3.36Å; F275-F331 HydrophobicContact CD2-CE2 4.06Å; F275-F331 HydrophobicContact CD2-CG 4.05Å; F275-F331 AromaticContact CD2-CZ 3.61Å; F275-F331 HydrophobicContact CD2-CZ 3.61Å; F275-F331 HydrophobicContact CE2-CD1 4.02Å; F275-F331 AromaticContact CE2-CE1 3.89Å; F275-F331 HydrophobicContact CE2-CE1 3.89Å; F275-F331 HydrophobicContact CG-CE1 4.05Å; F275-F331 HydrophobicContact CG-CE2 4.29Å; F275-F331 AromaticContact CG-CZ 3.86Å; F275-F331 HydrophobicContact CG-CZ 3.86Å; F278-F331 HydrophobicContact CE2-CB 4.05Å; F278-F331 HydrophobicContact CZ-CB 4.33Å; F331-I333 HydrophobicContact CD1-CD1 3.83Å; F331-I333 HydrophobicContact CD1-CG1 4.43Å; F331-I333 HydrophobicContact CE1-CD1 3.71Å; F331-G344 CarbonylContact O-C 3.55Å; F331-G344 WeakPolarHBondContact O-CA 3.24Å; F331-F345 PolarHBondContact N-O 2.86Å; F331-F345 PolarHBondContact O-N 3.3Å
332	E	98.4	Very high	97.7	Very high	40 Å²	40	33.1 Å²	33.1	19%	0.187	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	137.1	178.7	-168.8	175.7	-179.8	0	0	112	F330 P335 V342	F330-E332 HydrophobicContact CD1-CB 4.06Å; F330-E332 HydrophobicContact CE1-CB 3.72Å; F330-E332 HydrophobicContact CE1-CG 4Å; F330-E332 PolarHBondContact O-N 3.01Å; E332-P335 HydrophobicContact CB-CB 4.39Å; E332-P335 HydrophobicContact CG-CB 4.01Å; E332-V342 HydrophobicContact CG-CG1 4.32Å
333	I	98.4	Very high	97.7	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.015	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	126.3	177.9	-65.2	-66.5	0	0	0	109.2	F214 F216 H259 F275 F331 V343 F345 K374 F378	F214-I333 HydrophobicContact CD1-CD1 4.04Å; F214-I333 HydrophobicContact CE1-CD1 4.01Å; F214-I333 HydrophobicContact CE1-CG1 4.29Å; F214-I333 HydrophobicContact CE1-CG2 4.3Å; F216-I333 HydrophobicContact CE1-CD1 4.43Å; F216-I333 HydrophobicContact CZ-CD1 4.33Å; H259-I333 HydrophobicContact CB-CG2 4.25Å; F275-I333 HydrophobicContact CE2-CD1 3.94Å; F275-I333 HydrophobicContact CZ-CD1 4.38Å; F331-I333 HydrophobicContact CD1-CD1 3.83Å; F331-I333 HydrophobicContact CD1-CG1 4.43Å; F331-I333 HydrophobicContact CE1-CD1 3.71Å; I333-V343 HydrophobicContact CB-CG2 4.09Å; I333-V343 HydrophobicContact CG2-CG2 4.22Å; I333-V343 PolarHBondContact N-O 2.84Å; I333-V343 WeakPolarHBondContact O-CG2 3.42Å; I333-F345 HydrophobicContact CD1-CE2 4.46Å; I333-F345 HydrophobicContact CG1-CD2 4.26Å; I333-F345 HydrophobicContact CG1-CE2 4.11Å; I333-K374 WeakPolarHBondContact O-CE 3.45Å; I333-F378 HydrophobicContact CG1-CE2 4.33Å
334	R	97.6	Very high	97.8	Very high	19 Å²	19	28.2 Å²	28.2	7%	0.072	14%	0.139	C	C	.	.	S	Bend	trans	56	54.6	-172.3	-60.8	162.4	63.7	143.1	-2.8	113	G256 H259 H336 D337 K374	G256-R334 PolarHBondContact O-NH1 3.45Å; G256-R334 PolarHBondContact O-NH2 3.26Å; H259-R334 HydrophobicContact CB-CG 4.45Å; H259-R334 WeakPolarHBondContact O-CA 3.44Å; H259-R334 PolarHBondContact O-N 3.15Å; R334-H336 PolarHBondContact O-N 3.46Å; R334-H336 VanDerWaalsContact O-N 3.08Å; R334-D337 IonicContact CZ-OD2 3.98Å; R334-D337 IonicContact NE-OD2 4Å; R334-D337 PolarHBondContact NE-OD2 3.33Å; R334-D337 IonicContact NH2-OD1 2.72Å; R334-D337 IonicContact NH2-OD2 2.71Å; R334-D337 PolarHBondContact NH2-OD2 3.28Å; R334-D337 PolarHBondContact O-N 3.24Å; R334-D337 VanDerWaalsContact O-O 3.06Å; R334-K374 HydrophobicContact CB-CD 4.1Å; R334-K374 PolarHBondContact O-NZ 3.31Å
335	P	97.3	Very high	97.8	Very high	39 Å²	39	27.9 Å²	27.9	25%	0.253	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-12.3	-179.3	28.4	-37.5	0	0	0	114.5	E332	E332-P335 HydrophobicContact CB-CB 4.39Å; E332-P335 HydrophobicContact CG-CB 4.01Å
336	H	97.2	Very high	97.8	Very high	82 Å²	82	27.9 Å²	27.9	38%	0.38	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-4.8	-174.8	-53.3	-26.2	0	0	0	114.7	T252 T253 R334 K339	T252-H336 CarbonylContact O-C 3.6Å; T253-H336 HydrophobicContact CG2-CB 3.8Å; R334-H336 PolarHBondContact O-N 3.46Å; R334-H336 VanDerWaalsContact O-N 3.08Å; H336-K339 WeakPolarHBondContact O-CE 3.48Å
337	D	95.3	Very high	97.8	Very high	5 Å²	5	28 Å²	28	3%	0.027	14%	0.137	C	C	.	.	S	Bend	trans	-120.5	148.2	177.4	153.9	75.7	0	0	0	110.5	T252 R334 K339 K374	T252-D337 VanDerWaalsContact O-CB 3.29Å; T252-D337 WeakPolarHBondContact O-CB 3.43Å; T252-D337 PolarHBondContact O-N 2.94Å; R334-D337 IonicContact CZ-OD2 3.98Å; R334-D337 IonicContact NE-OD2 4Å; R334-D337 PolarHBondContact NE-OD2 3.33Å; R334-D337 IonicContact NH2-OD1 2.72Å; R334-D337 IonicContact NH2-OD2 2.71Å; R334-D337 PolarHBondContact NH2-OD2 3.28Å; R334-D337 PolarHBondContact O-N 3.24Å; R334-D337 VanDerWaalsContact O-O 3.06Å; D337-K339 VanDerWaalsContact C-N 3.28Å; D337-K339 PolarHBondContact O-N 2.75Å; D337-K374 PolarHBondContact O-NZ 2.77Å
338	A	97.2	Very high	97.9	Very high	14 Å²	14	24.5 Å²	24.5	12%	0.116	12%	0.121	C	C	.	.	S	Bend	trans	45.9	48.6	178.8	0	0	0	0	0	113.8	S340 I341 N370 K374	A338-S340 PolarHBondContact O-N 3.43Å; A338-I341 PolarHBondContact O-N 3.22Å; A338-I341 VanDerWaalsContact O-O 3.07Å; A338-N370 HydrophobicContact CB-CB 3.86Å; A338-K374 HydrophobicContact CB-CB 4.38Å; A338-K374 HydrophobicContact CB-CD 3.84Å
339	K	97.8	Very high	97.9	Very high	85 Å²	85	23.1 Å²	23.1	37%	0.37	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-11.8	-169	-62.5	-176.1	175.3	-179.5	0	115.7	H336 D337 I341 F362	H336-K339 WeakPolarHBondContact O-CE 3.48Å; D337-K339 VanDerWaalsContact C-N 3.28Å; D337-K339 PolarHBondContact O-N 2.75Å; K339-I341 PolarHBondContact O-N 3.1Å; K339-F362 HydrophobicContact CB-CB 3.86Å; K339-F362 HydrophobicContact CB-CD1 3.94Å; K339-F362 HydrophobicContact CB-CD2 3.69Å; K339-F362 HydrophobicContact CB-CE1 4.43Å; K339-F362 HydrophobicContact CB-CE2 4.2Å; K339-F362 HydrophobicContact CB-CG 3.54Å; K339-F362 HydrophobicContact CD-CD1 4.06Å; K339-F362 HydrophobicContact CD-CE1 3.82Å; K339-F362 HydrophobicContact CD-CE2 4.35Å; K339-F362 HydrophobicContact CD-CG 4.43Å; K339-F362 HydrophobicContact CD-CZ 3.98Å; K339-F362 WeakPolarHBondContact O-CD2 3.39Å
340	S	97.8	Very high	97.9	Very high	6 Å²	6	20.1 Å²	20.1	4%	0.042	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-12.4	172	63.4	0	0	0	0	113.3	A338 N358 N359 F362 C366	A338-S340 PolarHBondContact O-N 3.43Å; S340-N358 WeakPolarHBondContact O-CA 3.41Å; S340-N359 PolarHBondContact O-N 3.08Å; S340-F362 VanDerWaalsContact CB-O 3.3Å; S340-F362 WeakPolarHBondContact CB-O 3.3Å; S340-C366 VanDerWaalsContact CB-O 3.24Å; S340-C366 WeakPolarHBondContact CB-O 3.36Å; S340-C366 PolarHBondContact OG-O 3.26Å
341	I	98.6	Very high	97.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	130.2	167.4	-154.7	172.2	0	0	0	110.4	A338 K339 V356 A357 L367 S371 K374 L416 M443	A338-I341 PolarHBondContact O-N 3.22Å; A338-I341 VanDerWaalsContact O-O 3.07Å; K339-I341 PolarHBondContact O-N 3.1Å; I341-V356 HydrophobicContact CD1-CG1 3.7Å; I341-V356 HydrophobicContact CG1-CG1 4.19Å; I341-A357 CarbonylContact C-O 3.49Å; I341-A357 WeakPolarHBondContact CA-O 3.46Å; I341-A357 WeakPolarHBondContact CG1-O 3.47Å; I341-L367 HydrophobicContact CD1-CD2 4.12Å; I341-S371 VanDerWaalsContact CG2-CB 3.45Å; I341-K374 HydrophobicContact CG2-CB 4.37Å; I341-K374 HydrophobicContact CG2-CD 3.84Å; I341-K374 HydrophobicContact CG2-CG 4.18Å; I341-K374 VanDerWaalsContact O-CE 3.26Å; I341-K374 WeakPolarHBondContact O-CE 3.25Å; I341-K374 PolarHBondContact O-NZ 3.3Å; I341-L416 HydrophobicContact CD1-CD2 4.39Å; I341-M443 HydrophobicContact CD1-CE 4.39Å
342	V	98.7	Very high	97.9	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.012	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	134.7	169.9	169.9	0	0	0	0	107.6	L318 F330 E332 V356 A357 N359	L318-V342 HydrophobicContact CD2-CG1 3.77Å; L318-V342 HydrophobicContact CD2-CG2 4.12Å; L318-V342 HydrophobicContact CG-CG2 4.16Å; F330-V342 HydrophobicContact CE1-CG1 3.69Å; F330-V342 HydrophobicContact CZ-CG1 3.9Å; E332-V342 HydrophobicContact CG-CG1 4.32Å; V342-V356 WeakPolarHBondContact O-CA 3.26Å; V342-A357 HydrophobicContact CB-CB 4.37Å; V342-A357 PolarHBondContact N-O 2.85Å; V342-A357 PolarHBondContact O-N 3.34Å; V342-N359 HydrophobicContact CG2-CB 4.1Å
343	V	98.9	Very high	97.9	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.006	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	147	169.2	-54	0	0	0	0	109.6	I333 I355 V356 K374 F378	I333-V343 HydrophobicContact CB-CG2 4.09Å; I333-V343 HydrophobicContact CG2-CG2 4.22Å; I333-V343 PolarHBondContact N-O 2.84Å; I333-V343 WeakPolarHBondContact O-CG2 3.42Å; V343-I355 VanDerWaalsContact CA-O 3.27Å; V343-I355 WeakPolarHBondContact CA-O 3.46Å; V343-V356 HydrophobicContact CG1-CB 4.46Å; V343-V356 HydrophobicContact CG1-CG1 4.16Å; V343-V356 HydrophobicContact CG1-CG2 4.13Å; V343-K374 HydrophobicContact CG1-CG 4.39Å; V343-K374 HydrophobicContact CG2-CD 4.41Å; V343-K374 HydrophobicContact CG2-CG 3.87Å; V343-F378 HydrophobicContact CB-CB 4.12Å; V343-F378 HydrophobicContact CB-CD1 3.86Å; V343-F378 HydrophobicContact CB-CD2 4.05Å; V343-F378 HydrophobicContact CB-CE1 4.31Å; V343-F378 HydrophobicContact CB-CE2 4.48Å; V343-F378 HydrophobicContact CB-CG 3.72Å; V343-F378 HydrophobicContact CG1-CB 4.32Å; V343-F378 HydrophobicContact CG1-CD1 4.32Å; V343-F378 HydrophobicContact CG1-CG 4.32Å; V343-F378 HydrophobicContact CG2-CB 4.04Å; V343-F378 HydrophobicContact CG2-CD2 3.94Å; V343-F378 HydrophobicContact CG2-CG 3.91Å
344	G	98.7	Very high	98	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.8	178.8	-178.2	0	0	0	0	0	113.6	F330 F331 I355 F378	F330-G344 WeakPolarHBondContact CE2-O 3.34Å; F330-G344 VanDerWaalsContact CZ-CA 3.47Å; F331-G344 CarbonylContact O-C 3.55Å; F331-G344 WeakPolarHBondContact O-CA 3.24Å; G344-I355 PolarHBondContact N-O 3.27Å; G344-I355 PolarHBondContact O-N 3.08Å; G344-F378 WeakPolarHBondContact O-CZ 3.45Å
345	F	98.8	Very high	98	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	135.5	-176.9	-58.7	-77.5	0	0	0	111.4	F214 F275 F278 L279 F330 F331 I333 T352 V353 F378 F381 I387	F214-F345 HydrophobicContact CE1-CE2 4.18Å; F214-F345 AromaticContact CZ-CE2 3.81Å; F214-F345 HydrophobicContact CZ-CE2 3.81Å; F214-F345 AromaticContact CZ-CZ 3.87Å; F214-F345 HydrophobicContact CZ-CZ 3.87Å; F275-F345 AromaticContact CE2-CD2 3.72Å; F275-F345 HydrophobicContact CE2-CD2 3.72Å; F275-F345 AromaticContact CE2-CE2 3.67Å; F275-F345 HydrophobicContact CE2-CE2 3.67Å; F275-F345 HydrophobicContact CZ-CE2 4.08Å; F278-F345 HydrophobicContact CB-CB 4.16Å; F278-F345 HydrophobicContact CB-CG 4.42Å; F278-F345 HydrophobicContact CD1-CB 3.71Å; F278-F345 HydrophobicContact CE1-CB 4.22Å; F278-F345 HydrophobicContact CG-CB 3.93Å; L279-F345 HydrophobicContact CD2-CE2 4.39Å; L279-F345 HydrophobicContact CD2-CZ 4.21Å; F330-F345 VanDerWaalsContact CD2-O 3.31Å; F330-F345 WeakPolarHBondContact CD2-O 3.18Å; F331-F345 PolarHBondContact N-O 2.86Å; F331-F345 PolarHBondContact O-N 3.3Å; I333-F345 HydrophobicContact CD1-CE2 4.46Å; I333-F345 HydrophobicContact CG1-CD2 4.26Å; I333-F345 HydrophobicContact CG1-CE2 4.11Å; F345-T352 HydrophobicContact CB-CG2 4.49Å; F345-T352 HydrophobicContact CD1-CG2 4.02Å; F345-V353 WeakPolarHBondContact CA-O 3.43Å; F345-F378 HydrophobicContact CD1-CE2 4.4Å; F345-F378 HydrophobicContact CD1-CZ 4.12Å; F345-F378 HydrophobicContact CD2-CE2 4.22Å; F345-F378 AromaticContact CE1-CE2 3.87Å; F345-F378 HydrophobicContact CE1-CE2 3.87Å; F345-F378 AromaticContact CE1-CZ 3.81Å; F345-F378 HydrophobicContact CE1-CZ 3.81Å; F345-F378 AromaticContact CE2-CE2 3.68Å; F345-F378 HydrophobicContact CE2-CE2 3.68Å; F345-F378 HydrophobicContact CE2-CZ 4.34Å; F345-F378 HydrophobicContact CZ-CD2 4.4Å; F345-F378 AromaticContact CZ-CE2 3.48Å; F345-F378 HydrophobicContact CZ-CE2 3.48Å; F345-F378 VanDerWaalsContact CZ-CE2 3.48Å; F345-F378 AromaticContact CZ-CZ 3.93Å; F345-F378 HydrophobicContact CZ-CZ 3.93Å; F345-F381 HydrophobicContact CE1-CD1 4.32Å; F345-F381 HydrophobicContact CE1-CE1 4.17Å; F345-F381 AromaticContact CZ-CD1 3.78Å; F345-F381 HydrophobicContact CZ-CD1 3.78Å; F345-F381 AromaticContact CZ-CE1 3.67Å; F345-F381 HydrophobicContact CZ-CE1 3.67Å; F345-I387 HydrophobicContact CD1-CD1 4.25Å; F345-I387 HydrophobicContact CD1-CG2 4.49Å; F345-I387 HydrophobicContact CE1-CD1 3.68Å; F345-I387 HydrophobicContact CE1-CG2 4.44Å
346	G	98.4	Very high	98.1	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	-172.3	166.4	0	0	0	0	0	110.1	T352 V353	G346-T352 WeakPolarHBondContact O-CA 3.4Å; G346-V353 PolarHBondContact N-O 2.56Å; G346-V353 PolarHBondContact O-N 3.13Å
347	R	98.4	Very high	98.2	Very high	6 Å²	6	14 Å²	14	2%	0.023	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	151.1	163.7	-65.6	-176.2	-175.2	79.1	8.3	110.8	N277 F278 V325 D326 E329 R351	N277-R347 VanDerWaalsContact C-NH2 3.28Å; N277-R347 PolarHBondContact O-NH2 3.49Å; F278-R347 HydrophobicContact CD1-CG 4.37Å; F278-R347 HydrophobicContact CE1-CG 4.08Å; F278-R347 VanDerWaalsContact CE1-NH1 3.31Å; F278-R347 VanDerWaalsContact CZ-NH1 3.35Å; V325-R347 WeakPolarHBondContact CA-O 3.31Å; D326-R347 HydrophobicContact CB-CB 4.19Å; D326-R347 VanDerWaalsContact CG-C 3.49Å; D326-R347 VanDerWaalsContact CG-O 3.28Å; D326-R347 PolarHBondContact N-O 3.13Å; D326-R347 VanDerWaalsContact OD2-CB 3.25Å; D326-R347 WeakPolarHBondContact OD2-CB 3.1Å; E329-R347 IonicContact OE2-NH1 2.8Å; R347-R351 CarbonylContact C-O 3.56Å; R347-R351 WeakPolarHBondContact CA-O 3.33Å
348	M	98	Very high	98.3	Very high	6 Å²	6	13.8 Å²	13.8	3%	0.03	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	122.3	165.9	-67.3	-168.8	79.7	0	0	109.1	D326 G350 R351 V353 I390 R513 I516 L520	D326-M348 WeakPolarHBondContact OD1-CA 3.49Å; D326-M348 VanDerWaalsContact OD2-C 3.24Å; D326-M348 VanDerWaalsContact OD2-CA 3.26Å; D326-M348 WeakPolarHBondContact OD2-CA 3.17Å; D326-M348 PolarHBondContact OD2-N 2.86Å; M348-G350 PolarHBondContact O-N 3.03Å; M348-R351 PolarHBondContact N-O 2.69Å; M348-R351 PolarHBondContact O-N 3.2Å; M348-V353 HydrophobicContact CB-CG1 4.3Å; M348-V353 HydrophobicContact CG-CG1 4.45Å; M348-V353 HydrophobicContact CG-CG2 4.03Å; M348-I390 HydrophobicContact CG-CD1 4.37Å; M348-I390 HydrophobicContact SD-CD1 3.31Å; M348-I390 WeakPolarHBondContact SD-CD1 3.38Å; M348-R513 HydrophobicContact CE-CB 4.39Å; M348-R513 HydrophobicContact CE-CG 3.91Å; M348-I516 HydrophobicContact CE-CB 3.9Å; M348-I516 HydrophobicContact CE-CD1 4.44Å; M348-I516 HydrophobicContact CE-CG2 3.86Å; M348-I516 HydrophobicContact SD-CB 4.25Å; M348-I516 HydrophobicContact SD-CG2 3.55Å; M348-I516 VanDerWaalsContact SD-CG2 3.55Å; M348-L520 HydrophobicContact CB-CD1 4.46Å
349	N	97.2	Very high	98.4	Very high	65 Å²	65	13.2 Å²	13.2	35%	0.348	6%	0.06	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	42.9	-172.2	-166.2	32.9	0	0	0	112.1	W296 D326 R351	W296-N349 HydrophobicContact CB-CB 3.85Å; D326-N349 PolarHBondContact OD1-N 3.4Å; D326-N349 PolarHBondContact OD2-N 2.95Å; N349-R351 VanDerWaalsContact C-N 3.27Å; N349-R351 PolarHBondContact O-N 2.82Å
350	G	97.1	Very high	98.4	Very high	2 Å²	2	9.3 Å²	9.3	2%	0.021	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	-7.2	177.7	0	0	0	0	0	116.1	V289 R290 D326 M348	V289-G350 CarbonylContact C-O 3.53Å; V289-G350 WeakPolarHBondContact CA-O 3.2Å; R290-G350 PolarHBondContact N-O 3.44Å; R290-G350 WeakPolarHBondContact O-CA 3.45Å; D326-G350 PolarHBondContact OD2-N 2.88Å; M348-G350 PolarHBondContact O-N 3.03Å
351	R	97.8	Very high	98.3	Very high	93 Å²	93	14.4 Å²	14.4	35%	0.351	7%	0.065	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	137.1	-178	-57.2	-171.6	-177.2	158.4	10.5	111.4	V289 R347 M348 N349 V353 E521	V289-R351 HydrophobicContact CG1-CG 4.31Å; V289-R351 HydrophobicContact CG2-CG 4.17Å; R347-R351 CarbonylContact C-O 3.56Å; R347-R351 WeakPolarHBondContact CA-O 3.33Å; M348-R351 PolarHBondContact N-O 2.69Å; M348-R351 PolarHBondContact O-N 3.2Å; N349-R351 VanDerWaalsContact C-N 3.27Å; N349-R351 PolarHBondContact O-N 2.82Å; R351-V353 PolarHBondContact O-N 3.19Å; R351-E521 IonicContact CZ-OE2 3.31Å; R351-E521 IonicContact NH1-OE2 3.14Å; R351-E521 PolarHBondContact NH1-OE2 3.1Å; R351-E521 IonicContact NH2-OE1 2.7Å; R351-E521 IonicContact NH2-OE2 2.67Å; R351-E521 PolarHBondContact NH2-OE2 2.89Å
352	T	98.6	Very high	98.2	Very high	3 Å²	3	18 Å²	18	2%	0.018	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	135.8	175.2	-59.1	0	0	0	0	111.7	F278 A287 F345 G346 I387	F278-T352 HydrophobicContact CB-CG2 4.08Å; F278-T352 HydrophobicContact CD1-CG2 4.1Å; F278-T352 WeakPolarHBondContact O-CB 3.36Å; F278-T352 WeakPolarHBondContact O-CG2 3.4Å; F278-T352 PolarHBondContact O-OG1 3.42Å; A287-T352 HydrophobicContact CB-CG2 4.47Å; F345-T352 HydrophobicContact CB-CG2 4.49Å; F345-T352 HydrophobicContact CD1-CG2 4.02Å; G346-T352 WeakPolarHBondContact O-CA 3.4Å; T352-I387 HydrophobicContact CG2-CD1 4.28Å; T352-I387 HydrophobicContact CG2-CG1 4.5Å; T352-I387 HydrophobicContact CG2-CG2 3.96Å
353	V	98.8	Very high	98	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.012	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	143	170.3	-64.1	0	0	0	0	109.9	F345 G346 M348 R351 I355 P388 I390 L520	F345-V353 WeakPolarHBondContact CA-O 3.43Å; G346-V353 PolarHBondContact N-O 2.56Å; G346-V353 PolarHBondContact O-N 3.13Å; M348-V353 HydrophobicContact CB-CG1 4.3Å; M348-V353 HydrophobicContact CG-CG1 4.45Å; M348-V353 HydrophobicContact CG-CG2 4.03Å; R351-V353 PolarHBondContact O-N 3.19Å; V353-I355 HydrophobicContact CG2-CD1 4.46Å; V353-I355 HydrophobicContact CG2-CG1 4.31Å; V353-P388 HydrophobicContact CG1-CB 4.45Å; V353-I390 HydrophobicContact CB-CD1 3.81Å; V353-I390 HydrophobicContact CB-CG1 4.49Å; V353-I390 HydrophobicContact CG1-CD1 4.02Å; V353-I390 HydrophobicContact CG2-CD1 3.76Å; V353-L520 HydrophobicContact CG1-CD1 3.72Å
354	G	98.9	Very high	97.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	128	168.7	0	0	0	0	0	109.6	P388 L389 I390	G354-P388 PolarHBondContact N-O 3.14Å; G354-L389 CarbonylContact O-C 3.53Å; G354-L389 WeakPolarHBondContact O-CA 3.31Å; G354-I390 PolarHBondContact O-N 2.9Å
355	I	98.9	Very high	97.7	Very high	4 Å²	4	23.4 Å²	23.4	2%	0.021	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	137.7	-179.8	-58.1	180	0	0	0	109.2	V321 V325 F330 V343 G344 V353 A357 F378 I390 L392	V321-I355 HydrophobicContact CG1-CD1 3.85Å; V321-I355 HydrophobicContact CG1-CG2 4.49Å; V321-I355 HydrophobicContact CG2-CG2 4.06Å; V325-I355 HydrophobicContact CG1-CD1 3.49Å; V325-I355 VanDerWaalsContact CG1-CD1 3.49Å; F330-I355 HydrophobicContact CD2-CD1 4.19Å; F330-I355 HydrophobicContact CE2-CB 3.92Å; F330-I355 HydrophobicContact CE2-CD1 3.97Å; F330-I355 HydrophobicContact CE2-CG1 4.22Å; F330-I355 HydrophobicContact CZ-CB 4.38Å; V343-I355 VanDerWaalsContact CA-O 3.27Å; V343-I355 WeakPolarHBondContact CA-O 3.46Å; G344-I355 PolarHBondContact N-O 3.27Å; G344-I355 PolarHBondContact O-N 3.08Å; V353-I355 HydrophobicContact CG2-CD1 4.46Å; V353-I355 HydrophobicContact CG2-CG1 4.31Å; I355-A357 HydrophobicContact CG2-CB 4.31Å; I355-F378 WeakPolarHBondContact O-CE1 3.47Å; I355-I390 WeakPolarHBondContact CA-O 3.4Å; I355-I390 HydrophobicContact CG1-CB 4.35Å; I355-L392 HydrophobicContact CG2-CD1 4.48Å
356	V	98.9	Very high	97.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	114.5	173	179.8	0	0	0	0	108.5	I341 V342 V343 F378 V379 L389 I390 T391 L392 Y420 M443	I341-V356 HydrophobicContact CD1-CG1 3.7Å; I341-V356 HydrophobicContact CG1-CG1 4.19Å; V342-V356 WeakPolarHBondContact O-CA 3.26Å; V343-V356 HydrophobicContact CG1-CB 4.46Å; V343-V356 HydrophobicContact CG1-CG1 4.16Å; V343-V356 HydrophobicContact CG1-CG2 4.13Å; V356-F378 HydrophobicContact CG2-CD1 3.64Å; V356-F378 HydrophobicContact CG2-CE1 4.02Å; V356-V379 HydrophobicContact CG2-CG2 3.92Å; V356-L389 HydrophobicContact CG2-CD2 4.35Å; V356-I390 PolarHBondContact N-O 2.97Å; V356-T391 CarbonylContact O-C 3.53Å; V356-T391 VanDerWaalsContact O-CA 3.25Å; V356-T391 WeakPolarHBondContact O-CA 3.27Å; V356-L392 PolarHBondContact O-N 3.47Å; V356-Y420 VanDerWaalsContact CB-OH 3.28Å; V356-Y420 WeakPolarHBondContact CB-OH 3.48Å; V356-Y420 VanDerWaalsContact CG1-OH 3.27Å; V356-Y420 WeakPolarHBondContact CG1-OH 3.48Å; V356-M443 HydrophobicContact CG1-CE 4.15Å
357	A	98.9	Very high	97.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	131.1	-167.7	0	0	0	0	0	112.1	M317 V321 I341 V342 I355 L392	M317-A357 HydrophobicContact CG-CB 3.66Å; V321-A357 HydrophobicContact CG2-CB 4.3Å; I341-A357 CarbonylContact C-O 3.49Å; I341-A357 WeakPolarHBondContact CA-O 3.46Å; I341-A357 WeakPolarHBondContact CG1-O 3.47Å; V342-A357 HydrophobicContact CB-CB 4.37Å; V342-A357 PolarHBondContact N-O 2.85Å; V342-A357 PolarHBondContact O-N 3.34Å; I355-A357 HydrophobicContact CG2-CB 4.31Å; A357-L392 WeakPolarHBondContact CA-O 3.28Å; A357-L392 HydrophobicContact CB-CB 3.8Å; A357-L392 HydrophobicContact CB-CD1 4.23Å; A357-L392 HydrophobicContact CB-CG 4.31Å
358	N	98.7	Very high	97.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	135.8	170.3	-57.5	105.2	0	0	0	109.3	M317 S340 P360 G365 L392 D394 M443	M317-N358 VanDerWaalsContact CB-O 3.23Å; M317-N358 WeakPolarHBondContact CB-O 3.49Å; M317-N358 WeakPolarHBondContact CE-O 3.42Å; M317-N358 WeakPolarHBondContact CG-O 3.35Å; S340-N358 WeakPolarHBondContact O-CA 3.41Å; N358-P360 WeakPolarHBondContact O-CD 3.38Å; N358-G365 PolarHBondContact ND2-O 2.93Å; N358-L392 PolarHBondContact N-O 2.84Å; N358-L392 VanDerWaalsContact N-O 3.08Å; N358-D394 VanDerWaalsContact CB-O 3.25Å; N358-D394 WeakPolarHBondContact CB-O 3.34Å; N358-M443 WeakPolarHBondContact OD1-CE 3.38Å
359	N	98.3	Very high	97.5	Very high	2 Å²	2	26 Å²	26	1%	0.011	14%	0.141	C	C	.	.			trans	-109.3	103.1	177.5	-164.4	-16.4	0	0	0	111.7	D316 M317 S340 V342 K361 F362 G365	D316-N359 PolarHBondContact OD1-ND2 3.47Å; D316-N359 PolarHBondContact OD1-OD1 2.83Å; M317-N359 HydrophobicContact CB-CB 4.18Å; M317-N359 PolarHBondContact N-OD1 3.05Å; S340-N359 PolarHBondContact O-N 3.08Å; V342-N359 HydrophobicContact CG2-CB 4.1Å; N359-K361 PolarHBondContact O-N 3.11Å; N359-K361 VanDerWaalsContact O-N 3.11Å; N359-K361 VanDerWaalsContact OD1-CB 3.23Å; N359-K361 WeakPolarHBondContact OD1-CB 3.22Å; N359-K361 PolarHBondContact OD1-N 3.23Å; N359-F362 PolarHBondContact O-N 2.81Å; N359-F362 VanDerWaalsContact O-N 3.07Å; N359-F362 VanDerWaalsContact O-O 3.06Å; N359-G365 WeakPolarHBondContact O-CA 3.22Å; N359-G365 PolarHBondContact O-N 3.33Å
360	P	97.4	Very high	97.6	Very high	4 Å²	4	26.1 Å²	26.1	3%	0.026	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-25.4	-179.2	-27.1	37.7	0	0	0	114.3	A314 Y315 N358 F362 A364 D394	A314-P360 HydrophobicContact CB-CB 4.28Å; A314-P360 WeakPolarHBondContact CB-O 3.41Å; Y315-P360 HydrophobicContact CD1-CB 4.5Å; Y315-P360 HydrophobicContact CD1-CG 4.23Å; Y315-P360 HydrophobicContact CE1-CB 4.48Å; Y315-P360 HydrophobicContact CE1-CG 3.79Å; N358-P360 WeakPolarHBondContact O-CD 3.38Å; P360-F362 PolarHBondContact O-N 3.34Å; P360-A364 WeakPolarHBondContact O-CA 3.26Å; P360-D394 HydrophobicContact CG-CB 3.8Å; P360-D394 WeakPolarHBondContact CG-OD2 3.33Å
361	K	96.6	Very high	97.6	Very high	113 Å²	113	26 Å²	26	49%	0.491	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-24.1	175.9	-165.4	176.1	-170.6	178.5	0	113.6	Y315 D316 N359	Y315-K361 PolarHBondContact O-N 2.85Å; D316-K361 HydrophobicContact CB-CD 3.89Å; D316-K361 WeakPolarHBondContact OD2-CD 3.22Å; D316-K361 WeakPolarHBondContact OD2-CE 3.4Å; D316-K361 IonicContact OD2-NZ 3.22Å; D316-K361 PolarHBondContact OD2-NZ 2.93Å; N359-K361 PolarHBondContact O-N 3.11Å; N359-K361 VanDerWaalsContact O-N 3.11Å; N359-K361 VanDerWaalsContact OD1-CB 3.23Å; N359-K361 WeakPolarHBondContact OD1-CB 3.22Å; N359-K361 PolarHBondContact OD1-N 3.23Å
362	F	96.4	Very high	97.7	Very high	76 Å²	76	21.6 Å²	21.6	33%	0.333	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.8	122.3	-178.7	-61.5	-76.7	0	0	0	111	K339 S340 N359 P360 A364 G365	K339-F362 HydrophobicContact CB-CB 3.86Å; K339-F362 HydrophobicContact CB-CD1 3.94Å; K339-F362 HydrophobicContact CB-CD2 3.69Å; K339-F362 HydrophobicContact CB-CE1 4.43Å; K339-F362 HydrophobicContact CB-CE2 4.2Å; K339-F362 HydrophobicContact CB-CG 3.54Å; K339-F362 HydrophobicContact CD-CD1 4.06Å; K339-F362 HydrophobicContact CD-CE1 3.82Å; K339-F362 HydrophobicContact CD-CE2 4.35Å; K339-F362 HydrophobicContact CD-CG 4.43Å; K339-F362 HydrophobicContact CD-CZ 3.98Å; K339-F362 WeakPolarHBondContact O-CD2 3.39Å; S340-F362 VanDerWaalsContact CB-O 3.3Å; S340-F362 WeakPolarHBondContact CB-O 3.3Å; N359-F362 PolarHBondContact O-N 2.81Å; N359-F362 VanDerWaalsContact O-N 3.07Å; N359-F362 VanDerWaalsContact O-O 3.06Å; P360-F362 PolarHBondContact O-N 3.34Å; F362-A364 PolarHBondContact O-N 3.27Å; F362-A364 VanDerWaalsContact O-N 3.08Å; F362-G365 PolarHBondContact O-N 2.94Å
363	A	93.9	Very high	97.6	Very high	61 Å²	61	23.8 Å²	23.8	50%	0.504	14%	0.135	S	C	.	.	G	3₁₀ helix	trans	48.8	33.4	-176.9	0	0	0	0	0	114.1	G365 C366	A363-G365 PolarHBondContact O-N 3.3Å; A363-G365 VanDerWaalsContact O-N 3.14Å; A363-C366 VanDerWaalsContact O-CB 3.27Å; A363-C366 WeakPolarHBondContact O-CB 3.45Å; A363-C366 PolarHBondContact O-N 3.03Å; A363-C366 VanDerWaalsContact O-N 3.08Å; A363-C366 PolarHBondContact O-SG 3.1Å
364	A	94.1	Very high	97.6	Very high	55 Å²	55	23.9 Å²	23.9	46%	0.455	14%	0.135	S	C	.	.	G	3₁₀ helix	trans	55.3	23.8	-176	0	0	0	0	0	115	P360 F362 C366 P396	P360-A364 WeakPolarHBondContact O-CA 3.26Å; F362-A364 PolarHBondContact O-N 3.27Å; F362-A364 VanDerWaalsContact O-N 3.08Å; A364-C366 VanDerWaalsContact C-N 3.29Å; A364-C366 PolarHBondContact O-N 3.28Å; A364-P396 HydrophobicContact CB-CG 4.41Å; A364-P396 WeakPolarHBondContact O-CD 3.47Å; A364-P396 WeakPolarHBondContact O-CG 3.28Å
365	G	96.7	Very high	97.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	77.9	7.3	-177.3	0	0	0	0	0	114.7	N358 N359 F362 A363	N358-G365 PolarHBondContact ND2-O 2.93Å; N359-G365 WeakPolarHBondContact O-CA 3.22Å; N359-G365 PolarHBondContact O-N 3.33Å; F362-G365 PolarHBondContact O-N 2.94Å; A363-G365 PolarHBondContact O-N 3.3Å; A363-G365 VanDerWaalsContact O-N 3.14Å
366	C	97.2	Very high	97.6	Very high	18 Å²	18	23.9 Å²	23.9	12%	0.122	14%	0.136	C	C	.	.			trans	-56.2	142.3	178	-72.5	0	0	0	0	112.9	S340 A363 A364 P396 G397 L399	S340-C366 VanDerWaalsContact CB-O 3.24Å; S340-C366 WeakPolarHBondContact CB-O 3.36Å; S340-C366 PolarHBondContact OG-O 3.26Å; A363-C366 VanDerWaalsContact O-CB 3.27Å; A363-C366 WeakPolarHBondContact O-CB 3.45Å; A363-C366 PolarHBondContact O-N 3.03Å; A363-C366 VanDerWaalsContact O-N 3.08Å; A363-C366 PolarHBondContact O-SG 3.1Å; A364-C366 VanDerWaalsContact C-N 3.29Å; A364-C366 PolarHBondContact O-N 3.28Å; C366-P396 VanDerWaalsContact SG-CG 3.59Å; C366-G397 WeakPolarHBondContact CA-O 3.29Å; C366-L399 HydrophobicContact CB-CB 4.26Å
367	L	98.4	Very high	97.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-80.2	144.4	164.8	-68.2	174	0	0	0	110.8	I341 V395 G397 F398 L399 L416 A439 V442 M443	I341-L367 HydrophobicContact CD1-CD2 4.12Å; L367-V395 HydrophobicContact CD1-CG2 4.46Å; L367-V395 HydrophobicContact CG-CG2 4.1Å; L367-G397 PolarHBondContact N-O 3.34Å; L367-G397 VanDerWaalsContact N-O 3.09Å; L367-F398 HydrophobicContact CB-CD1 3.53Å; L367-F398 HydrophobicContact CB-CE1 3.55Å; L367-F398 HydrophobicContact CB-CG 4.22Å; L367-F398 HydrophobicContact CB-CZ 4.24Å; L367-F398 HydrophobicContact CD1-CE1 4.07Å; L367-F398 HydrophobicContact CD1-CZ 3.96Å; L367-F398 HydrophobicContact CG-CE1 4.48Å; L367-F398 CarbonylContact O-C 3.43Å; L367-F398 WeakPolarHBondContact O-CA 3.42Å; L367-L399 PolarHBondContact O-N 3.15Å; L367-L416 HydrophobicContact CD1-CD2 4.5Å; L367-L416 HydrophobicContact CD2-CD2 4.15Å; L367-A439 HydrophobicContact CD1-CB 4.14Å; L367-V442 HydrophobicContact CD1-CB 4.13Å; L367-V442 HydrophobicContact CD1-CG1 3.84Å; L367-M443 HydrophobicContact CD1-CG 4.3Å; L367-M443 HydrophobicContact CD1-SD 4Å; L367-M443 HydrophobicContact CD2-SD 4.07Å; L367-M443 HydrophobicContact CG-SD 4.47Å
368	D	97.8	Very high	97.6	Very high	27 Å²	27	29 Å²	29	14%	0.144	16%	0.156	C	C	.	.			trans	-145.8	-176.1	178.4	70.5	7	0	0	0	109.6	N370 S371 S372 L399	D368-N370 PolarHBondContact O-N 2.85Å; D368-N370 PolarHBondContact OD1-N 3.17Å; D368-N370 VanDerWaalsContact OD1-N 3.1Å; D368-S371 PolarHBondContact N-OG 3.29Å; D368-S371 PolarHBondContact O-OG 3.49Å; D368-S371 VanDerWaalsContact OD1-CB 3.29Å; D368-S371 WeakPolarHBondContact OD1-CB 3.48Å; D368-S371 PolarHBondContact OD1-N 2.84Å; D368-S371 PolarHBondContact OD1-OG 3.05Å; D368-S372 WeakPolarHBondContact O-CB 3.14Å; D368-S372 PolarHBondContact O-N 2.65Å; D368-S372 PolarHBondContact O-OG 3.36Å; D368-L399 HydrophobicContact CB-CB 4.08Å; D368-L399 HydrophobicContact CB-CD2 4.26Å
369	I	98.1	Very high	97.6	Very high	20 Å²	20	29 Å²	29	10%	0.103	16%	0.156	C	C	.	.	H	α-helix	trans	-54.6	-49.3	178.8	-73	165.3	0	0	0	111.7	S372 I373 I409 H412	I369-S372 PolarHBondContact O-N 3.38Å; I369-I373 HydrophobicContact CG2-CD1 3.78Å; I369-I373 WeakPolarHBondContact O-CD1 3.42Å; I369-I373 VanDerWaalsContact O-CG1 3.25Å; I369-I373 WeakPolarHBondContact O-CG1 3.42Å; I369-I373 PolarHBondContact O-N 3.19Å; I369-I409 HydrophobicContact CG1-CB 4.13Å; I369-I409 HydrophobicContact CG1-CD1 3.92Å; I369-H412 HydrophobicContact CB-CB 4.28Å; I369-H412 HydrophobicContact CG1-CB 4.06Å; I369-H412 HydrophobicContact CG2-CB 4.01Å
370	N	98	Very high	97.6	Very high	68 Å²	68	33.4 Å²	33.4	36%	0.364	17%	0.172	S	C	.	.	H	α-helix	trans	-75.9	-42.3	-169.4	-68.3	-3.2	0	0	0	111.8	A338 D368 S372 I373 K374	A338-N370 HydrophobicContact CB-CB 3.86Å; D368-N370 PolarHBondContact O-N 2.85Å; D368-N370 PolarHBondContact OD1-N 3.17Å; D368-N370 VanDerWaalsContact OD1-N 3.1Å; N370-S372 VanDerWaalsContact C-N 3.33Å; N370-S372 PolarHBondContact O-N 3.07Å; N370-I373 PolarHBondContact O-N 3.45Å; N370-K374 WeakPolarHBondContact O-CB 3.1Å; N370-K374 PolarHBondContact O-N 2.7Å
371	S	98.1	Very high	97.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64	-37.1	173.9	54.5	0	0	0	0	111.9	I341 D368 K374 G375	I341-S371 VanDerWaalsContact CG2-CB 3.45Å; D368-S371 PolarHBondContact N-OG 3.29Å; D368-S371 PolarHBondContact O-OG 3.49Å; D368-S371 VanDerWaalsContact OD1-CB 3.29Å; D368-S371 WeakPolarHBondContact OD1-CB 3.48Å; D368-S371 PolarHBondContact OD1-N 2.84Å; D368-S371 PolarHBondContact OD1-OG 3.05Å; S371-K374 PolarHBondContact O-N 3.23Å; S371-G375 PolarHBondContact O-N 3.07Å
372	S	98.4	Very high	97.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-65.5	-40.1	173.8	-57.3	0	0	0	0	112.1	D368 I369 N370 A376 H412 G413	D368-S372 WeakPolarHBondContact O-CB 3.14Å; D368-S372 PolarHBondContact O-N 2.65Å; D368-S372 PolarHBondContact O-OG 3.36Å; I369-S372 PolarHBondContact O-N 3.38Å; N370-S372 VanDerWaalsContact C-N 3.33Å; N370-S372 PolarHBondContact O-N 3.07Å; S372-A376 WeakPolarHBondContact O-CB 3.32Å; S372-A376 PolarHBondContact O-N 2.75Å; S372-H412 VanDerWaalsContact CB-O 3.31Å; S372-H412 WeakPolarHBondContact CB-O 3.26Å; S372-G413 WeakPolarHBondContact OG-CA 3.29Å
373	I	98.4	Very high	97.9	Very high	49 Å²	49	26 Å²	26	25%	0.251	14%	0.14	S	C	.	.	H	α-helix	trans	-67	-47.5	174.9	-67.5	163.1	0	0	0	111.2	I369 N370 A376 R377 K415	I369-I373 HydrophobicContact CG2-CD1 3.78Å; I369-I373 WeakPolarHBondContact O-CD1 3.42Å; I369-I373 VanDerWaalsContact O-CG1 3.25Å; I369-I373 WeakPolarHBondContact O-CG1 3.42Å; I369-I373 PolarHBondContact O-N 3.19Å; N370-I373 PolarHBondContact O-N 3.45Å; I373-A376 PolarHBondContact O-N 2.72Å; I373-R377 PolarHBondContact O-N 3.48Å; I373-R377 VanDerWaalsContact O-N 3.08Å; I373-K415 HydrophobicContact CG1-CD 4.26Å
374	K	98.6	Very high	98.2	Very high	4 Å²	4	25.1 Å²	25.1	2%	0.017	13%	0.131	C	C	.	.	H	α-helix	trans	-56.8	-53.5	177.8	174.3	176.1	173.2	-178.3	0	111	I333 R334 D337 A338 I341 V343 N370 S371 F378	I333-K374 WeakPolarHBondContact O-CE 3.45Å; R334-K374 HydrophobicContact CB-CD 4.1Å; R334-K374 PolarHBondContact O-NZ 3.31Å; D337-K374 PolarHBondContact O-NZ 2.77Å; A338-K374 HydrophobicContact CB-CB 4.38Å; A338-K374 HydrophobicContact CB-CD 3.84Å; I341-K374 HydrophobicContact CG2-CB 4.37Å; I341-K374 HydrophobicContact CG2-CD 3.84Å; I341-K374 HydrophobicContact CG2-CG 4.18Å; I341-K374 VanDerWaalsContact O-CE 3.26Å; I341-K374 WeakPolarHBondContact O-CE 3.25Å; I341-K374 PolarHBondContact O-NZ 3.3Å; V343-K374 HydrophobicContact CG1-CG 4.39Å; V343-K374 HydrophobicContact CG2-CD 4.41Å; V343-K374 HydrophobicContact CG2-CG 3.87Å; N370-K374 WeakPolarHBondContact O-CB 3.1Å; N370-K374 PolarHBondContact O-N 2.7Å; S371-K374 PolarHBondContact O-N 3.23Å; K374-F378 WeakPolarHBondContact O-CB 3.38Å; K374-F378 PolarHBondContact O-N 3.16Å
375	G	98.5	Very high	98.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.3	-46.8	176.9	0	0	0	0	0	112.6	S371 R377 F378 V379	S371-G375 PolarHBondContact O-N 3.07Å; G375-R377 PolarHBondContact O-N 3.38Å; G375-F378 PolarHBondContact O-N 3.18Å; G375-V379 WeakPolarHBondContact O-CG2 3.28Å; G375-V379 PolarHBondContact O-N 3.18Å
376	A	98.8	Very high	98.4	Very high	4 Å²	4	24.9 Å²	24.9	3%	0.033	12%	0.122	C	C	.	.	H	α-helix	trans	-63.1	-47	-175.7	0	0	0	0	0	112.5	S372 I373 F378 V379 R380 K415 L416 A419	S372-A376 WeakPolarHBondContact O-CB 3.32Å; S372-A376 PolarHBondContact O-N 2.75Å; I373-A376 PolarHBondContact O-N 2.72Å; A376-F378 VanDerWaalsContact C-N 3.31Å; A376-F378 PolarHBondContact O-N 3.16Å; A376-V379 PolarHBondContact O-N 2.65Å; A376-R380 WeakPolarHBondContact O-CG 3.43Å; A376-R380 PolarHBondContact O-N 2.92Å; A376-K415 HydrophobicContact CB-CB 3.59Å; A376-L416 HydrophobicContact CB-CB 4.39Å; A376-A419 HydrophobicContact CB-CB 4.29Å
377	R	98.8	Very high	98.5	Very high	101 Å²	101	24 Å²	24	38%	0.381	12%	0.116	S	C	.	.	H	α-helix	trans	-63	-40.3	179.3	-166.7	179.4	-173.3	163.2	6.9	111	A210 T212 I373 G375 R380 F381	A210-R377 PolarHBondContact O-NH2 3.44Å; T212-R377 PolarHBondContact O-NH2 3.46Å; I373-R377 PolarHBondContact O-N 3.48Å; I373-R377 VanDerWaalsContact O-N 3.08Å; G375-R377 PolarHBondContact O-N 3.38Å; R377-R380 PolarHBondContact O-N 3.08Å; R377-F381 PolarHBondContact O-N 2.99Å
378	F	98.9	Very high	98.5	Very high	8 Å²	8	25.2 Å²	25.2	4%	0.035	12%	0.124	C	C	.	.	H	α-helix	trans	-64.8	-46	178.2	-174.5	-94.1	0	0	0	112.9	I333 V343 G344 F345 I355 V356 K374 G375 A376 R380 F381 C382 L389	I333-F378 HydrophobicContact CG1-CE2 4.33Å; V343-F378 HydrophobicContact CB-CB 4.12Å; V343-F378 HydrophobicContact CB-CD1 3.86Å; V343-F378 HydrophobicContact CB-CD2 4.05Å; V343-F378 HydrophobicContact CB-CE1 4.31Å; V343-F378 HydrophobicContact CB-CE2 4.48Å; V343-F378 HydrophobicContact CB-CG 3.72Å; V343-F378 HydrophobicContact CG1-CB 4.32Å; V343-F378 HydrophobicContact CG1-CD1 4.32Å; V343-F378 HydrophobicContact CG1-CG 4.32Å; V343-F378 HydrophobicContact CG2-CB 4.04Å; V343-F378 HydrophobicContact CG2-CD2 3.94Å; V343-F378 HydrophobicContact CG2-CG 3.91Å; G344-F378 WeakPolarHBondContact O-CZ 3.45Å; F345-F378 HydrophobicContact CD1-CE2 4.4Å; F345-F378 HydrophobicContact CD1-CZ 4.12Å; F345-F378 HydrophobicContact CD2-CE2 4.22Å; F345-F378 AromaticContact CE1-CE2 3.87Å; F345-F378 HydrophobicContact CE1-CE2 3.87Å; F345-F378 AromaticContact CE1-CZ 3.81Å; F345-F378 HydrophobicContact CE1-CZ 3.81Å; F345-F378 AromaticContact CE2-CE2 3.68Å; F345-F378 HydrophobicContact CE2-CE2 3.68Å; F345-F378 HydrophobicContact CE2-CZ 4.34Å; F345-F378 HydrophobicContact CZ-CD2 4.4Å; F345-F378 AromaticContact CZ-CE2 3.48Å; F345-F378 HydrophobicContact CZ-CE2 3.48Å; F345-F378 VanDerWaalsContact CZ-CE2 3.48Å; F345-F378 AromaticContact CZ-CZ 3.93Å; F345-F378 HydrophobicContact CZ-CZ 3.93Å; I355-F378 WeakPolarHBondContact O-CE1 3.47Å; V356-F378 HydrophobicContact CG2-CD1 3.64Å; V356-F378 HydrophobicContact CG2-CE1 4.02Å; K374-F378 WeakPolarHBondContact O-CB 3.38Å; K374-F378 PolarHBondContact O-N 3.16Å; G375-F378 PolarHBondContact O-N 3.18Å; A376-F378 VanDerWaalsContact C-N 3.31Å; A376-F378 PolarHBondContact O-N 3.16Å; F378-R380 PolarHBondContact O-N 3.26Å; F378-F381 PolarHBondContact O-N 2.88Å; F378-C382 WeakPolarHBondContact CE1-SG 3.24Å; F378-C382 PolarHBondContact O-N 3.5Å; F378-C382 PolarHBondContact O-SG 2.65Å; F378-L389 HydrophobicContact CE1-CD2 4.37Å
379	V	98.9	Very high	98.6	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-59.2	-45.2	175.7	168.2	0	0	0	0	111.2	V356 G375 A376 C382 D383 L389 L416 A419 Y420 A423	V356-V379 HydrophobicContact CG2-CG2 3.92Å; G375-V379 WeakPolarHBondContact O-CG2 3.28Å; G375-V379 PolarHBondContact O-N 3.18Å; A376-V379 PolarHBondContact O-N 2.65Å; V379-C382 PolarHBondContact O-N 3.29Å; V379-D383 PolarHBondContact O-N 3.3Å; V379-L389 HydrophobicContact CB-CD1 4.36Å; V379-L389 HydrophobicContact CG1-CD1 3.79Å; V379-L389 HydrophobicContact CG2-CD1 4.35Å; V379-L389 HydrophobicContact CG2-CD2 4.42Å; V379-L416 HydrophobicContact CG2-CD1 4.17Å; V379-A419 HydrophobicContact CB-CB 3.87Å; V379-A419 HydrophobicContact CG1-CB 3.6Å; V379-Y420 HydrophobicContact CG1-CD1 3.95Å; V379-Y420 HydrophobicContact CG1-CE1 4.22Å; V379-Y420 HydrophobicContact CG1-CG 4.33Å; V379-Y420 HydrophobicContact CG2-CD1 4.22Å; V379-Y420 HydrophobicContact CG2-CE1 3.7Å; V379-Y420 HydrophobicContact CG2-CE2 4.18Å; V379-A423 HydrophobicContact CG1-CB 4.41Å
380	R	98.9	Very high	98.6	Very high	93 Å²	93	23.1 Å²	23.1	35%	0.351	11%	0.112	S	C	.	.	H	α-helix	trans	-65.2	-37.8	177.6	-65.4	-169.2	94.8	-116.8	-10.7	112.8	A376 R377 F378 S384 A419 E422	A376-R380 WeakPolarHBondContact O-CG 3.43Å; A376-R380 PolarHBondContact O-N 2.92Å; R377-R380 PolarHBondContact O-N 3.08Å; F378-R380 PolarHBondContact O-N 3.26Å; R380-S384 WeakPolarHBondContact O-CB 3.34Å; R380-S384 PolarHBondContact O-N 3.06Å; R380-S384 PolarHBondContact O-OG 3.39Å; R380-A419 HydrophobicContact CG-CB 3.72Å; R380-E422 WeakPolarHBondContact CD-OE1 3.34Å; R380-E422 IonicContact CZ-OE1 2.65Å; R380-E422 IonicContact CZ-OE2 3.12Å; R380-E422 IonicContact NE-OE1 3.49Å; R380-E422 PolarHBondContact NE-OE1 2.71Å; R380-E422 IonicContact NE-OE2 2.73Å; R380-E422 IonicContact NH2-OE1 3.9Å; R380-E422 PolarHBondContact NH2-OE1 3.39Å; R380-E422 IonicContact NH2-OE2 2.65Å; R380-E422 PolarHBondContact NH2-OE2 3.39Å
381	F	98.9	Very high	98.7	Very high	13 Å²	13	19.9 Å²	19.9	6%	0.057	10%	0.095	C	C	.	.	H	α-helix	trans	-61.6	-50	174.2	175.8	-89.2	0	0	0	110.8	D213 F214 L279 F345 R377 F378 D383 S384 F385 I387	D213-F381 HydrophobicContact CB-CD2 3.67Å; D213-F381 HydrophobicContact CB-CE2 3.64Å; F214-F381 HydrophobicContact CD2-CE2 4.44Å; F214-F381 HydrophobicContact CE2-CD1 4.09Å; F214-F381 AromaticContact CE2-CD2 3.85Å; F214-F381 HydrophobicContact CE2-CD2 3.85Å; F214-F381 AromaticContact CE2-CE1 3.77Å; F214-F381 HydrophobicContact CE2-CE1 3.77Å; F214-F381 AromaticContact CE2-CE2 3.5Å; F214-F381 HydrophobicContact CE2-CE2 3.5Å; F214-F381 HydrophobicContact CE2-CG 4.14Å; F214-F381 AromaticContact CE2-CZ 3.49Å; F214-F381 HydrophobicContact CE2-CZ 3.49Å; F214-F381 VanDerWaalsContact CE2-CZ 3.49Å; F214-F381 AromaticContact CZ-CD1 3.75Å; F214-F381 HydrophobicContact CZ-CD1 3.75Å; F214-F381 HydrophobicContact CZ-CD2 4.08Å; F214-F381 AromaticContact CZ-CE1 3.81Å; F214-F381 HydrophobicContact CZ-CE1 3.81Å; F214-F381 HydrophobicContact CZ-CE2 4.12Å; F214-F381 AromaticContact CZ-CG 3.91Å; F214-F381 HydrophobicContact CZ-CG 3.91Å; F214-F381 HydrophobicContact CZ-CZ 4.02Å; L279-F381 HydrophobicContact CD1-CZ 4.34Å; L279-F381 HydrophobicContact CD2-CE1 3.8Å; L279-F381 HydrophobicContact CD2-CZ 3.82Å; F345-F381 HydrophobicContact CE1-CD1 4.32Å; F345-F381 HydrophobicContact CE1-CE1 4.17Å; F345-F381 AromaticContact CZ-CD1 3.78Å; F345-F381 HydrophobicContact CZ-CD1 3.78Å; F345-F381 AromaticContact CZ-CE1 3.67Å; F345-F381 HydrophobicContact CZ-CE1 3.67Å; R377-F381 PolarHBondContact O-N 2.99Å; F378-F381 PolarHBondContact O-N 2.88Å; F381-D383 VanDerWaalsContact C-N 3.34Å; F381-D383 PolarHBondContact O-N 2.83Å; F381-S384 PolarHBondContact O-N 3.19Å; F381-F385 HydrophobicContact CD1-CD2 4.45Å; F381-F385 AromaticContact CD2-CD2 3.6Å; F381-F385 HydrophobicContact CD2-CD2 3.6Å; F381-F385 AromaticContact CD2-CE2 3.72Å; F381-F385 HydrophobicContact CD2-CE2 3.72Å; F381-F385 HydrophobicContact CE1-CD2 4.12Å; F381-F385 AromaticContact CE2-CD2 3.2Å; F381-F385 HydrophobicContact CE2-CD2 3.2Å; F381-F385 AromaticContact CE2-CE2 3.29Å; F381-F385 HydrophobicContact CE2-CE2 3.29Å; F381-F385 HydrophobicContact CE2-CG 4.24Å; F381-F385 HydrophobicContact CE2-CZ 4.38Å; F381-F385 HydrophobicContact CG-CD2 4.2Å; F381-F385 HydrophobicContact CZ-CB 4.44Å; F381-F385 AromaticContact CZ-CD2 3.47Å; F381-F385 HydrophobicContact CZ-CD2 3.47Å; F381-F385 VanDerWaalsContact CZ-CD2 3.47Å; F381-F385 AromaticContact CZ-CE2 3.98Å; F381-F385 HydrophobicContact CZ-CE2 3.98Å; F381-F385 HydrophobicContact CZ-CG 4.12Å; F381-F385 WeakPolarHBondContact O-CD2 3.27Å; F381-F385 PolarHBondContact O-N 3.06Å; F381-I387 HydrophobicContact CE1-CD1 4Å
382	C	98.8	Very high	98.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-58.9	-45.4	-179.5	-64.5	0	0	0	0	111.8	F378 V379 S384 F385 N386 I387 L389	F378-C382 WeakPolarHBondContact CE1-SG 3.24Å; F378-C382 PolarHBondContact O-N 3.5Å; F378-C382 PolarHBondContact O-SG 2.65Å; V379-C382 PolarHBondContact O-N 3.29Å; C382-S384 PolarHBondContact O-N 2.97Å; C382-F385 CarbonylContact O-C 3.56Å; C382-F385 PolarHBondContact O-N 3.26Å; C382-N386 PolarHBondContact O-N 2.73Å; C382-N386 VanDerWaalsContact O-N 3.17Å; C382-I387 HydrophobicContact CB-CB 4.01Å; C382-I387 HydrophobicContact CB-CG2 4.35Å; C382-I387 PolarHBondContact O-N 2.98Å; C382-L389 HydrophobicContact CB-CD1 4.41Å; C382-L389 HydrophobicContact CB-CD2 3.72Å; C382-L389 HydrophobicContact CB-CG 4.01Å
383	D	98.7	Very high	98.7	Very high	25 Å²	25	20 Å²	20	13%	0.134	10%	0.096	C	C	.	.	H	α-helix	trans	-62.4	-43	176.5	-172.2	59.6	0	0	0	112.8	V379 F381 F385 N386 A423 T424 V425	V379-D383 PolarHBondContact O-N 3.3Å; F381-D383 VanDerWaalsContact C-N 3.34Å; F381-D383 PolarHBondContact O-N 2.83Å; D383-F385 PolarHBondContact O-N 2.67Å; D383-N386 PolarHBondContact O-N 3.36Å; D383-A423 HydrophobicContact CB-CB 4.03Å; D383-A423 WeakPolarHBondContact OD1-CA 3.49Å; D383-T424 PolarHBondContact OD1-N 2.88Å; D383-T424 PolarHBondContact OD1-OG1 3.48Å; D383-V425 HydrophobicContact CB-CG2 4.19Å; D383-V425 PolarHBondContact OD1-N 2.75Å
384	S	98.6	Very high	98.7	Very high	43 Å²	43	17.8 Å²	17.8	30%	0.301	9%	0.085	S	C	.	.	H	α-helix	trans	-63.4	-21.9	179.4	-56.7	0	0	0	0	113.5	N283 R380 F381 C382	N283-S384 WeakPolarHBondContact CB-O 3.47Å; R380-S384 WeakPolarHBondContact O-CB 3.34Å; R380-S384 PolarHBondContact O-N 3.06Å; R380-S384 PolarHBondContact O-OG 3.39Å; F381-S384 PolarHBondContact O-N 3.19Å; C382-S384 PolarHBondContact O-N 2.97Å
385	F	98.7	Very high	98.6	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.4	24.1	-176.1	-71.4	-69	0	0	0	113.1	I191 P192 P280 N283 F381 C382 D383 I387	I191-F385 VanDerWaalsContact C-CZ 3.44Å; P192-F385 HydrophobicContact CG-CD1 4.21Å; P192-F385 HydrophobicContact CG-CE1 3.89Å; P192-F385 HydrophobicContact CG-CZ 4.21Å; P280-F385 HydrophobicContact CG-CB 3.76Å; P280-F385 HydrophobicContact CG-CD1 3.99Å; P280-F385 HydrophobicContact CG-CG 4.26Å; N283-F385 HydrophobicContact CB-CD1 4.32Å; N283-F385 HydrophobicContact CB-CE1 4.41Å; F381-F385 HydrophobicContact CD1-CD2 4.45Å; F381-F385 AromaticContact CD2-CD2 3.6Å; F381-F385 HydrophobicContact CD2-CD2 3.6Å; F381-F385 AromaticContact CD2-CE2 3.72Å; F381-F385 HydrophobicContact CD2-CE2 3.72Å; F381-F385 HydrophobicContact CE1-CD2 4.12Å; F381-F385 AromaticContact CE2-CD2 3.2Å; F381-F385 HydrophobicContact CE2-CD2 3.2Å; F381-F385 AromaticContact CE2-CE2 3.29Å; F381-F385 HydrophobicContact CE2-CE2 3.29Å; F381-F385 HydrophobicContact CE2-CG 4.24Å; F381-F385 HydrophobicContact CE2-CZ 4.38Å; F381-F385 HydrophobicContact CG-CD2 4.2Å; F381-F385 HydrophobicContact CZ-CB 4.44Å; F381-F385 AromaticContact CZ-CD2 3.47Å; F381-F385 HydrophobicContact CZ-CD2 3.47Å; F381-F385 VanDerWaalsContact CZ-CD2 3.47Å; F381-F385 AromaticContact CZ-CE2 3.98Å; F381-F385 HydrophobicContact CZ-CE2 3.98Å; F381-F385 HydrophobicContact CZ-CG 4.12Å; F381-F385 WeakPolarHBondContact O-CD2 3.27Å; F381-F385 PolarHBondContact O-N 3.06Å; C382-F385 CarbonylContact O-C 3.56Å; C382-F385 PolarHBondContact O-N 3.26Å; D383-F385 PolarHBondContact O-N 2.67Å; F385-I387 PolarHBondContact O-N 3.14Å; F385-I387 VanDerWaalsContact O-N 3.12Å
386	N	98	Very high	98.5	Very high	49 Å²	49	19.5 Å²	19.5	26%	0.262	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	18.7	175.3	-50.2	-60.9	0	0	0	115.5	N283 E285 C382 D383 P388	N283-N386 PolarHBondContact O-ND2 3.44Å; E285-N386 PolarHBondContact O-ND2 2.95Å; C382-N386 PolarHBondContact O-N 2.73Å; C382-N386 VanDerWaalsContact O-N 3.17Å; D383-N386 PolarHBondContact O-N 3.36Å; N386-P388 WeakPolarHBondContact O-CD 3.39Å
387	I	98.7	Very high	98.3	Very high	1 Å²	1	20 Å²	20	1%	0.005	10%	0.101	C	C	.	.			trans	-82.8	120.6	-178.4	-61.1	175	0	0	0	109.2	L279 F345 T352 F381 C382 F385	L279-I387 HydrophobicContact CD2-CD1 4.41Å; F345-I387 HydrophobicContact CD1-CD1 4.25Å; F345-I387 HydrophobicContact CD1-CG2 4.49Å; F345-I387 HydrophobicContact CE1-CD1 3.68Å; F345-I387 HydrophobicContact CE1-CG2 4.44Å; T352-I387 HydrophobicContact CG2-CD1 4.28Å; T352-I387 HydrophobicContact CG2-CG1 4.5Å; T352-I387 HydrophobicContact CG2-CG2 3.96Å; F381-I387 HydrophobicContact CE1-CD1 4Å; C382-I387 HydrophobicContact CB-CB 4.01Å; C382-I387 HydrophobicContact CB-CG2 4.35Å; C382-I387 PolarHBondContact O-N 2.98Å; F385-I387 PolarHBondContact O-N 3.14Å; F385-I387 VanDerWaalsContact O-N 3.12Å
388	P	98.6	Very high	98.2	Very high	24 Å²	24	18.3 Å²	18.3	16%	0.156	10%	0.097	C	C	.	.			trans	-57.4	146.4	174.3	-26.5	36.4	0	0	0	113.1	V353 G354 N386 P426 L520	V353-P388 HydrophobicContact CG1-CB 4.45Å; G354-P388 PolarHBondContact N-O 3.14Å; N386-P388 WeakPolarHBondContact O-CD 3.39Å; P388-P426 HydrophobicContact CB-CB 4.15Å; P388-P426 HydrophobicContact CB-CG 4.48Å; P388-P426 HydrophobicContact CG-CG 4.38Å; P388-L520 HydrophobicContact CB-CD2 3.68Å; P388-L520 HydrophobicContact CG-CD2 4.4Å
389	L	98.9	Very high	98	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	132.4	-179.4	-75.3	165.4	0	0	0	111.9	G354 V356 F378 V379 C382 Y420 V425 P426 K427 V428	G354-L389 CarbonylContact O-C 3.53Å; G354-L389 WeakPolarHBondContact O-CA 3.31Å; V356-L389 HydrophobicContact CG2-CD2 4.35Å; F378-L389 HydrophobicContact CE1-CD2 4.37Å; V379-L389 HydrophobicContact CB-CD1 4.36Å; V379-L389 HydrophobicContact CG1-CD1 3.79Å; V379-L389 HydrophobicContact CG2-CD1 4.35Å; V379-L389 HydrophobicContact CG2-CD2 4.42Å; C382-L389 HydrophobicContact CB-CD1 4.41Å; C382-L389 HydrophobicContact CB-CD2 3.72Å; C382-L389 HydrophobicContact CB-CG 4.01Å; L389-Y420 HydrophobicContact CD1-CE1 4.43Å; L389-V425 HydrophobicContact CD1-CG2 3.97Å; L389-V425 HydrophobicContact CG-CG2 4.3Å; L389-P426 PolarHBondContact N-O 3.5Å; L389-K427 HydrophobicContact CB-CG 4.21Å; L389-K427 HydrophobicContact CD1-CG 4.42Å; L389-K427 WeakPolarHBondContact O-CA 3.5Å; L389-V428 PolarHBondContact O-N 3.33Å
390	I	98.8	Very high	97.7	Very high	3 Å²	3	26.4 Å²	26.4	2%	0.015	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	121.3	170.8	-59.1	163.6	0	0	0	108.4	M348 V353 G354 I355 V356 L392 V428 I516 L520	M348-I390 HydrophobicContact CG-CD1 4.37Å; M348-I390 HydrophobicContact SD-CD1 3.31Å; M348-I390 WeakPolarHBondContact SD-CD1 3.38Å; V353-I390 HydrophobicContact CB-CD1 3.81Å; V353-I390 HydrophobicContact CB-CG1 4.49Å; V353-I390 HydrophobicContact CG1-CD1 4.02Å; V353-I390 HydrophobicContact CG2-CD1 3.76Å; G354-I390 PolarHBondContact O-N 2.9Å; I355-I390 WeakPolarHBondContact CA-O 3.4Å; I355-I390 HydrophobicContact CG1-CB 4.35Å; V356-I390 PolarHBondContact N-O 2.97Å; I390-L392 HydrophobicContact CG2-CD2 4.08Å; I390-L392 HydrophobicContact CG2-CG 4.49Å; I390-V428 CarbonylContact C-O 3.44Å; I390-V428 VanDerWaalsContact CA-O 3.31Å; I390-V428 WeakPolarHBondContact CA-O 3.33Å; I390-I516 HydrophobicContact CD1-CG2 3.8Å; I390-I516 HydrophobicContact CG1-CG2 4.05Å; I390-I516 HydrophobicContact CG2-CD1 4.12Å; I390-L520 HydrophobicContact CD1-CD1 4.35Å
391	T	98.9	Very high	97.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	118.5	-178.5	-52.9	0	0	0	0	111	V356 V393 Y420 V428 T429 V430 M443 S444	V356-T391 CarbonylContact O-C 3.53Å; V356-T391 VanDerWaalsContact O-CA 3.25Å; V356-T391 WeakPolarHBondContact O-CA 3.27Å; T391-V393 HydrophobicContact CG2-CG2 3.99Å; T391-Y420 WeakPolarHBondContact CG2-OH 3.07Å; T391-Y420 PolarHBondContact OG1-OH 2.8Å; T391-V428 PolarHBondContact N-O 3.39Å; T391-T429 HydrophobicContact CG2-CG2 4.38Å; T391-T429 CarbonylContact O-C 3.59Å; T391-T429 VanDerWaalsContact O-CA 3.3Å; T391-T429 WeakPolarHBondContact O-CA 3.34Å; T391-V430 PolarHBondContact O-N 2.86Å; T391-M443 HydrophobicContact CG2-CB 4.31Å; T391-M443 HydrophobicContact CG2-CE 3.7Å; T391-S444 WeakPolarHBondContact OG1-CB 3.32Å
392	L	98.8	Very high	97.3	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	122.4	178.3	-53.6	178.6	0	0	0	110.4	M317 V320 V321 L324 I355 V356 A357 N358 I390 V430	M317-L392 HydrophobicContact CE-CB 4.28Å; M317-L392 HydrophobicContact SD-CB 3.98Å; M317-L392 HydrophobicContact SD-CD1 4.12Å; V320-L392 HydrophobicContact CG1-CD1 3.96Å; V321-L392 HydrophobicContact CG2-CD1 3.82Å; L324-L392 HydrophobicContact CD1-CD1 4.18Å; L324-L392 HydrophobicContact CD1-CD2 4.15Å; I355-L392 HydrophobicContact CG2-CD1 4.48Å; V356-L392 PolarHBondContact O-N 3.47Å; A357-L392 WeakPolarHBondContact CA-O 3.28Å; A357-L392 HydrophobicContact CB-CB 3.8Å; A357-L392 HydrophobicContact CB-CD1 4.23Å; A357-L392 HydrophobicContact CB-CG 4.31Å; N358-L392 PolarHBondContact N-O 2.84Å; N358-L392 VanDerWaalsContact N-O 3.08Å; I390-L392 HydrophobicContact CG2-CD2 4.08Å; I390-L392 HydrophobicContact CG2-CG 4.49Å; L392-V430 WeakPolarHBondContact CA-O 3.46Å; L392-V430 HydrophobicContact CD2-CB 3.94Å; L392-V430 HydrophobicContact CD2-CG2 4.27Å
393	V	98.8	Very high	97.3	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.018	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	113.1	-163.7	-168.4	0	0	0	0	112.2	T391 V395 T429 V430 I431 T432 R433 A435 M443	T391-V393 HydrophobicContact CG2-CG2 3.99Å; V393-V395 HydrophobicContact CG1-CG1 3.73Å; V393-T429 HydrophobicContact CG2-CG2 3.71Å; V393-V430 PolarHBondContact N-O 3.49Å; V393-I431 HydrophobicContact CB-CB 4.33Å; V393-I431 HydrophobicContact CB-CG1 4.06Å; V393-I431 HydrophobicContact CB-CG2 4.33Å; V393-I431 HydrophobicContact CG2-CG1 4.3Å; V393-T432 PolarHBondContact O-N 2.85Å; V393-T432 PolarHBondContact O-OG1 3.49Å; V393-R433 PolarHBondContact O-N 2.94Å; V393-A435 HydrophobicContact CG1-CB 4.02Å; V393-M443 HydrophobicContact CG1-CB 4.04Å; V393-M443 HydrophobicContact CG1-CG 4.38Å; V393-M443 HydrophobicContact CG2-CB 3.91Å
394	D	98	Very high	97.2	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	82	159.7	-172.7	12.5	0	0	0	108.4	Y315 M317 N358 P360 R433 K434	Y315-D394 VanDerWaalsContact CE1-OD2 3.3Å; Y315-D394 WeakPolarHBondContact CE1-OD2 3.13Å; M317-D394 HydrophobicContact CE-CB 4.05Å; N358-D394 VanDerWaalsContact CB-O 3.25Å; N358-D394 WeakPolarHBondContact CB-O 3.34Å; P360-D394 HydrophobicContact CG-CB 3.8Å; P360-D394 WeakPolarHBondContact CG-OD2 3.33Å; D394-R433 HydrophobicContact CB-CB 4.4Å; D394-R433 IonicContact OD1-NE 3.53Å; D394-R433 PolarHBondContact OD1-NE 3.35Å; D394-R433 IonicContact OD2-CZ 2.75Å; D394-R433 IonicContact OD2-NE 3.44Å; D394-R433 PolarHBondContact OD2-NE 2.65Å; D394-R433 IonicContact OD2-NH2 2.9Å; D394-R433 PolarHBondContact OD2-NH2 2.8Å; D394-K434 CarbonylContact C-O 3.57Å; D394-K434 VanDerWaalsContact CA-O 3.3Å; D394-K434 WeakPolarHBondContact CA-O 3.31Å; D394-K434 VanDerWaalsContact OD1-CB 3.24Å; D394-K434 WeakPolarHBondContact OD1-CB 3.5Å; D394-K434 WeakPolarHBondContact OD1-CG 3.19Å; D394-K434 PolarHBondContact OD1-N 2.65Å
395	V	97.7	Very high	97.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	117	-174.3	67.6	0	0	0	0	111.7	L367 V393 G397 K434 Y436 A439 M443	L367-V395 HydrophobicContact CD1-CG2 4.46Å; L367-V395 HydrophobicContact CG-CG2 4.1Å; V393-V395 HydrophobicContact CG1-CG1 3.73Å; V395-G397 VanDerWaalsContact C-N 3.31Å; V395-G397 WeakPolarHBondContact CG2-O 3.49Å; V395-K434 PolarHBondContact N-O 3.41Å; V395-K434 CarbonylContact O-C 3.49Å; V395-Y436 PolarHBondContact O-N 3.01Å; V395-Y436 VanDerWaalsContact O-N 3.17Å; V395-A439 HydrophobicContact CB-CB 4.28Å; V395-A439 HydrophobicContact CG1-CB 3.74Å; V395-A439 HydrophobicContact CG2-CB 3.52Å; V395-M443 HydrophobicContact CG1-CG 4.07Å
396	P	95	Very high	97.1	Very high	40 Å²	40	44.4 Å²	44.4	26%	0.26	25%	0.252	S	S	.	.			trans	-83	-8.1	178.4	34.8	-37.3	0	0	0	113.1	A364 C366 K434 Y436	A364-P396 HydrophobicContact CB-CG 4.41Å; A364-P396 WeakPolarHBondContact O-CD 3.47Å; A364-P396 WeakPolarHBondContact O-CG 3.28Å; C366-P396 VanDerWaalsContact SG-CG 3.59Å; P396-K434 HydrophobicContact CB-CD 4.16Å; P396-Y436 HydrophobicContact CB-CD2 4.27Å; P396-Y436 WeakPolarHBondContact O-CB 3.5Å; P396-Y436 WeakPolarHBondContact O-CD2 3.29Å
397	G	95.8	Very high	97.1	Very high	14 Å²	14	43.5 Å²	43.5	14%	0.144	25%	0.254	C	S	.	.			trans	146.4	-161.2	-178.8	0	0	0	0	0	112.6	C366 L367 V395	C366-G397 WeakPolarHBondContact CA-O 3.29Å; L367-G397 PolarHBondContact N-O 3.34Å; L367-G397 VanDerWaalsContact N-O 3.09Å; V395-G397 VanDerWaalsContact C-N 3.31Å; V395-G397 WeakPolarHBondContact CG2-O 3.49Å
398	F	96	Very high	97.1	Very high	67 Å²	67	44.2 Å²	44.2	29%	0.294	26%	0.262	S	S	.	.	B	Isolated β-bridge	trans	-89.8	150.1	165.7	-73.9	-90.5	0	0	0	110.5	L367 P400 I409 A439 V442	L367-F398 HydrophobicContact CB-CD1 3.53Å; L367-F398 HydrophobicContact CB-CE1 3.55Å; L367-F398 HydrophobicContact CB-CG 4.22Å; L367-F398 HydrophobicContact CB-CZ 4.24Å; L367-F398 HydrophobicContact CD1-CE1 4.07Å; L367-F398 HydrophobicContact CD1-CZ 3.96Å; L367-F398 HydrophobicContact CG-CE1 4.48Å; L367-F398 CarbonylContact O-C 3.43Å; L367-F398 WeakPolarHBondContact O-CA 3.42Å; F398-P400 WeakPolarHBondContact O-CD 3.5Å; F398-I409 HydrophobicContact CD1-CD1 3.91Å; F398-I409 HydrophobicContact CD1-CG1 4.15Å; F398-I409 HydrophobicContact CE1-CD1 4.23Å; F398-A439 HydrophobicContact CD2-CB 4.42Å; F398-A439 HydrophobicContact CE2-CB 4.34Å; F398-V442 HydrophobicContact CE2-CG2 3.97Å; F398-V442 HydrophobicContact CZ-CG2 3.72Å
399	L	94.6	Very high	97	Very high	65 Å²	65	43.7 Å²	43.7	34%	0.34	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-64.5	119.4	174.2	-175.3	70.9	0	0	0	109.7	C366 L367 D368 Q404	C366-L399 HydrophobicContact CB-CB 4.26Å; L367-L399 PolarHBondContact O-N 3.15Å; D368-L399 HydrophobicContact CB-CB 4.08Å; D368-L399 HydrophobicContact CB-CD2 4.26Å; L399-Q404 HydrophobicContact CD2-CG 4.37Å
400	P	91.9	Very high	97	Very high	113 Å²	113	50.3 Å²	50.3	73%	0.734	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-78.7	150.2	178.6	32.2	-35	0	0	0	111.6	F398	F398-P400 WeakPolarHBondContact O-CD 3.5Å
401	G	93.8	Very high	96.9	Very high	39 Å²	39	55.7 Å²	55.7	40%	0.402	31%	0.311	S	S	.	.	S	Bend	trans	150.4	152.6	167.9	0	0	0	0	0	113.6	A403 Q404 E405	G401-A403 PolarHBondContact O-N 3.38Å; G401-Q404 PolarHBondContact O-N 3.11Å; G401-E405 PolarHBondContact O-N 3.04Å
402	T	97.1	Very high	96.9	Very high	96 Å²	96	56.4 Å²	56.4	59%	0.589	32%	0.315	S	S	*	.	H	α-helix	trans	-57.6	-33.5	178.8	48.4	0	0	0	0	112.8	Q404 E405 Y406	T402-Q404 VanDerWaalsContact C-N 3.32Å; T402-Q404 PolarHBondContact O-N 2.81Å; T402-E405 PolarHBondContact O-N 3.48Å; T402-Y406 VanDerWaalsContact O-CB 3.3Å; T402-Y406 WeakPolarHBondContact O-CB 3.3Å; T402-Y406 PolarHBondContact O-N 2.85Å
403	A	97	Very high	96.8	Very high	74 Å²	74	56.5 Å²	56.5	61%	0.612	32%	0.316	S	S	*	.	H	α-helix	trans	-62.1	-35.5	175	0	0	0	0	0	113.2	G401 G407	G401-A403 PolarHBondContact O-N 3.38Å; A403-G407 PolarHBondContact O-N 2.88Å
404	Q	97.4	Very high	96.8	Very high	30 Å²	30	57.8 Å²	57.8	14%	0.14	33%	0.327	C	S	.	.	H	α-helix	trans	-73.8	-43.8	176.4	-65.5	-68.4	-40.2	0	0	110.6	L399 G401 T402 G407 G408 I409	L399-Q404 HydrophobicContact CD2-CG 4.37Å; G401-Q404 PolarHBondContact O-N 3.11Å; T402-Q404 VanDerWaalsContact C-N 3.32Å; T402-Q404 PolarHBondContact O-N 2.81Å; Q404-G407 PolarHBondContact O-N 3.03Å; Q404-G408 PolarHBondContact O-N 2.84Å; Q404-G408 VanDerWaalsContact O-N 3.16Å; Q404-I409 HydrophobicContact CB-CB 4.13Å; Q404-I409 HydrophobicContact CB-CG2 4.22Å; Q404-I409 WeakPolarHBondContact O-CB 3.25Å; Q404-I409 WeakPolarHBondContact O-CG2 3.49Å; Q404-I409 PolarHBondContact O-N 2.92Å
405	E	97.8	Very high	96.8	Very high	109 Å²	109	59.1 Å²	59.1	51%	0.509	33%	0.333	S	S	.	.	H	α-helix	trans	-62.7	-49.5	176.8	-64.1	-60	164	0	0	112.1	G401 T402 G407 G408	G401-E405 PolarHBondContact O-N 3.04Å; T402-E405 PolarHBondContact O-N 3.48Å; E405-G407 VanDerWaalsContact C-N 3.35Å; E405-G407 PolarHBondContact O-N 2.85Å; E405-G408 WeakPolarHBondContact O-CA 3.31Å; E405-G408 PolarHBondContact O-N 2.73Å
406	Y	97.8	Very high	96.9	Very high	203 Å²	203	59.1 Å²	59.1	80%	0.796	33%	0.333	S	S	*	.	H	α-helix	trans	-69.8	-29.7	179.9	-61	-12.9	0	0	0	112.8	T402 G408	T402-Y406 VanDerWaalsContact O-CB 3.3Å; T402-Y406 WeakPolarHBondContact O-CB 3.3Å; T402-Y406 PolarHBondContact O-N 2.85Å; Y406-G408 PolarHBondContact O-N 2.8Å
407	G	97.8	Very high	97	Very high	30 Å²	30	60.2 Å²	60.2	31%	0.309	34%	0.336	S	S	.	.	H	α-helix	trans	-68.9	-16.4	168.8	0	0	0	0	0	113.6	A403 Q404 E405 R411 H412	A403-G407 PolarHBondContact O-N 2.88Å; Q404-G407 PolarHBondContact O-N 3.03Å; E405-G407 VanDerWaalsContact C-N 3.35Å; E405-G407 PolarHBondContact O-N 2.85Å; G407-R411 PolarHBondContact O-NH2 2.81Å; G407-H412 PolarHBondContact O-CD2 3.36Å; G407-H412 PolarHBondContact O-NE2 3.08Å
408	G	97.8	Very high	97.2	Very high	16 Å²	16	62.2 Å²	62.2	17%	0.165	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.1	45.8	179.6	0	0	0	0	0	113.5	Q404 E405 Y406 I410 R411 H412	Q404-G408 PolarHBondContact O-N 2.84Å; Q404-G408 VanDerWaalsContact O-N 3.16Å; E405-G408 WeakPolarHBondContact O-CA 3.31Å; E405-G408 PolarHBondContact O-N 2.73Å; Y406-G408 PolarHBondContact O-N 2.8Å; G408-I410 PolarHBondContact O-N 2.96Å; G408-I410 VanDerWaalsContact O-N 3.11Å; G408-R411 WeakPolarHBondContact O-CG 3.32Å; G408-R411 PolarHBondContact O-N 2.77Å; G408-H412 PolarHBondContact O-CD2 3.08Å; G408-H412 PolarHBondContact O-N 3.42Å; G408-H412 VanDerWaalsContact O-N 3.08Å
409	I	97.7	Very high	97.3	Very high	14 Å²	14	59 Å²	59	7%	0.072	33%	0.326	C	S	.	.	H	α-helix	trans	-51	-33.7	175.5	-175.4	58.9	0	0	0	112.9	I369 F398 Q404 R411 H412 G413	I369-I409 HydrophobicContact CG1-CB 4.13Å; I369-I409 HydrophobicContact CG1-CD1 3.92Å; F398-I409 HydrophobicContact CD1-CD1 3.91Å; F398-I409 HydrophobicContact CD1-CG1 4.15Å; F398-I409 HydrophobicContact CE1-CD1 4.23Å; Q404-I409 HydrophobicContact CB-CB 4.13Å; Q404-I409 HydrophobicContact CB-CG2 4.22Å; Q404-I409 WeakPolarHBondContact O-CB 3.25Å; Q404-I409 WeakPolarHBondContact O-CG2 3.49Å; Q404-I409 PolarHBondContact O-N 2.92Å; I409-R411 PolarHBondContact O-N 2.9Å; I409-H412 PolarHBondContact O-N 2.88Å; I409-G413 WeakPolarHBondContact O-CA 3.37Å; I409-G413 PolarHBondContact O-N 3.38Å
410	I	97.9	Very high	97.5	Very high	138 Å²	138	55.9 Å²	55.9	71%	0.708	31%	0.309	S	S	*	.	H	α-helix	trans	-56	-48.3	176.6	-62.7	170.9	0	0	0	111.7	G408 A414	G408-I410 PolarHBondContact O-N 2.96Å; G408-I410 VanDerWaalsContact O-N 3.11Å; I410-A414 VanDerWaalsContact O-CB 3.25Å; I410-A414 WeakPolarHBondContact O-CB 3.43Å; I410-A414 PolarHBondContact O-N 3.37Å
411	R	98	Very high	97.8	Very high	116 Å²	116	52.4 Å²	52.4	44%	0.438	29%	0.288	S	S	.	.	H	α-helix	trans	-75.6	-35.3	177.7	58.3	169.7	-176.4	123.8	5.5	112.3	G407 G408 I409 P539 L540	G407-R411 PolarHBondContact O-NH2 2.81Å; G408-R411 WeakPolarHBondContact O-CG 3.32Å; G408-R411 PolarHBondContact O-N 2.77Å; I409-R411 PolarHBondContact O-N 2.9Å; R411-P539 HydrophobicContact CB-CB 4.19Å; R411-P539 WeakPolarHBondContact O-CB 3.09Å; R411-L540 PolarHBondContact NH1-O 3.48Å
412	H	98.2	Very high	98	Very high	15 Å²	15	52.2 Å²	52.2	7%	0.069	28%	0.276	C	S	.	.	H	α-helix	trans	-75.9	-43.7	-176.7	-72.2	-54.2	0	0	0	113.2	I369 S372 G407 G408 I409 A414 K415	I369-H412 HydrophobicContact CB-CB 4.28Å; I369-H412 HydrophobicContact CG1-CB 4.06Å; I369-H412 HydrophobicContact CG2-CB 4.01Å; S372-H412 VanDerWaalsContact CB-O 3.31Å; S372-H412 WeakPolarHBondContact CB-O 3.26Å; G407-H412 PolarHBondContact O-CD2 3.36Å; G407-H412 PolarHBondContact O-NE2 3.08Å; G408-H412 PolarHBondContact O-CD2 3.08Å; G408-H412 PolarHBondContact O-N 3.42Å; G408-H412 VanDerWaalsContact O-N 3.08Å; I409-H412 PolarHBondContact O-N 2.88Å; H412-A414 VanDerWaalsContact C-N 3.32Å; H412-A414 PolarHBondContact O-N 2.67Å; H412-K415 VanDerWaalsContact O-CB 3.3Å; H412-K415 WeakPolarHBondContact O-CB 3.41Å; H412-K415 WeakPolarHBondContact O-CG 3.27Å; H412-K415 PolarHBondContact O-N 3.27Å
413	G	97.2	Very high	98.1	Very high	4 Å²	4	47.7 Å²	47.7	4%	0.041	25%	0.248	C	C	.	.	H	α-helix	trans	-61.6	-38.4	172.2	0	0	0	0	0	112.7	S372 I409 K415 L416	S372-G413 WeakPolarHBondContact OG-CA 3.29Å; I409-G413 WeakPolarHBondContact O-CA 3.37Å; I409-G413 PolarHBondContact O-N 3.38Å; G413-K415 PolarHBondContact O-N 3.19Å; G413-K415 VanDerWaalsContact O-N 3.16Å; G413-L416 PolarHBondContact O-N 3.13Å
414	A	98.4	Very high	98.1	Very high	30 Å²	30	46 Å²	46	25%	0.248	23%	0.231	C	C	.	.	H	α-helix	trans	-61.6	-21.3	175.6	0	0	0	0	0	113.9	I410 H412 L416 I417 Y418 P539	I410-A414 VanDerWaalsContact O-CB 3.25Å; I410-A414 WeakPolarHBondContact O-CB 3.43Å; I410-A414 PolarHBondContact O-N 3.37Å; H412-A414 VanDerWaalsContact C-N 3.32Å; H412-A414 PolarHBondContact O-N 2.67Å; A414-L416 VanDerWaalsContact C-N 3.34Å; A414-L416 PolarHBondContact O-N 3.27Å; A414-I417 PolarHBondContact O-N 3.49Å; A414-Y418 WeakPolarHBondContact O-CB 3.47Å; A414-Y418 PolarHBondContact O-N 3.38Å; A414-P539 HydrophobicContact CB-CG 4.1Å
415	K	98.8	Very high	98.2	Very high	28 Å²	28	45 Å²	45	12%	0.122	23%	0.227	C	C	.	.	H	α-helix	trans	-61.8	-40.4	175	-59.9	-175.1	179.4	-168.7	0	112.2	I373 A376 H412 G413 Y418 A419 P539 L540	I373-K415 HydrophobicContact CG1-CD 4.26Å; A376-K415 HydrophobicContact CB-CB 3.59Å; H412-K415 VanDerWaalsContact O-CB 3.3Å; H412-K415 WeakPolarHBondContact O-CB 3.41Å; H412-K415 WeakPolarHBondContact O-CG 3.27Å; H412-K415 PolarHBondContact O-N 3.27Å; G413-K415 PolarHBondContact O-N 3.19Å; G413-K415 VanDerWaalsContact O-N 3.16Å; K415-Y418 PolarHBondContact O-N 3.17Å; K415-A419 WeakPolarHBondContact O-CB 3.31Å; K415-A419 PolarHBondContact O-N 2.87Å; K415-P539 VanDerWaalsContact CE-O 3.22Å; K415-P539 WeakPolarHBondContact CE-O 3.25Å; K415-L540 VanDerWaalsContact CE-OXT 3.26Å; K415-L540 WeakPolarHBondContact CE-OXT 3.12Å; K415-L540 PolarHBondContact NZ-OXT 3.23Å
416	L	98.4	Very high	98.2	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-72.9	-38.3	-179	-175	54.2	0	0	0	111.2	I341 L367 A376 V379 G413 A414 Y418 A419 Y420 V442 M443	I341-L416 HydrophobicContact CD1-CD2 4.39Å; L367-L416 HydrophobicContact CD1-CD2 4.5Å; L367-L416 HydrophobicContact CD2-CD2 4.15Å; A376-L416 HydrophobicContact CB-CB 4.39Å; V379-L416 HydrophobicContact CG2-CD1 4.17Å; G413-L416 PolarHBondContact O-N 3.13Å; A414-L416 VanDerWaalsContact C-N 3.34Å; A414-L416 PolarHBondContact O-N 3.27Å; L416-Y418 VanDerWaalsContact C-N 3.33Å; L416-Y418 PolarHBondContact O-N 3.04Å; L416-A419 PolarHBondContact O-N 3.37Å; L416-Y420 HydrophobicContact CD1-CD2 3.75Å; L416-Y420 HydrophobicContact CD1-CE2 3.48Å; L416-Y420 VanDerWaalsContact CD1-CE2 3.48Å; L416-Y420 HydrophobicContact CG-CD2 4.03Å; L416-Y420 HydrophobicContact CG-CE2 3.92Å; L416-Y420 WeakPolarHBondContact O-CD2 3.36Å; L416-Y420 PolarHBondContact O-N 2.98Å; L416-Y420 VanDerWaalsContact O-N 3.07Å; L416-V442 HydrophobicContact CB-CG1 3.8Å; L416-V442 HydrophobicContact CD2-CG1 3.62Å; L416-V442 HydrophobicContact CG-CG1 3.57Å; L416-M443 HydrophobicContact CD2-SD 4.02Å
417	I	98.1	Very high	98.3	Very high	63 Å²	63	30.9 Å²	30.9	32%	0.323	17%	0.169	S	C	.	.	H	α-helix	trans	-57.5	-48.5	170.1	-54.8	177.5	0	0	0	110	A414 Y420 S421 V442 L448	A414-I417 PolarHBondContact O-N 3.49Å; I417-Y420 PolarHBondContact O-N 2.81Å; I417-S421 VanDerWaalsContact O-CB 3.26Å; I417-S421 WeakPolarHBondContact O-CB 3.48Å; I417-S421 PolarHBondContact O-N 3.21Å; I417-S421 PolarHBondContact O-OG 2.99Å; I417-V442 HydrophobicContact CD1-CG2 3.69Å; I417-V442 HydrophobicContact CG1-CB 4.06Å; I417-V442 HydrophobicContact CG1-CG1 4.07Å; I417-V442 HydrophobicContact CG1-CG2 3.42Å; I417-V442 VanDerWaalsContact CG1-CG2 3.42Å; I417-L448 HydrophobicContact CG2-CD1 4.09Å; I417-L448 HydrophobicContact CG2-CD2 4.3Å
418	Y	98.6	Very high	98.3	Very high	56 Å²	56	29.5 Å²	29.5	22%	0.22	16%	0.155	C	C	.	.	H	α-helix	trans	-60.4	-48.7	-179.5	-164	-79.2	0	0	0	111.5	A414 K415 L416 Y420 S421 E422 G536 N537 I538	A414-Y418 WeakPolarHBondContact O-CB 3.47Å; A414-Y418 PolarHBondContact O-N 3.38Å; K415-Y418 PolarHBondContact O-N 3.17Å; L416-Y418 VanDerWaalsContact C-N 3.33Å; L416-Y418 PolarHBondContact O-N 3.04Å; Y418-Y420 PolarHBondContact O-N 3.19Å; Y418-S421 PolarHBondContact O-N 3.17Å; Y418-S421 VanDerWaalsContact O-N 3.16Å; Y418-E422 HydrophobicContact CD1-CG 4.49Å; Y418-E422 VanDerWaalsContact CD1-OE1 3.23Å; Y418-E422 WeakPolarHBondContact CD1-OE1 3.48Å; Y418-E422 HydrophobicContact CE1-CB 4.4Å; Y418-E422 WeakPolarHBondContact CE1-OE1 3.2Å; Y418-E422 PolarHBondContact O-N 3.49Å; Y418-G536 WeakPolarHBondContact OH-CA 3.38Å; Y418-N537 PolarHBondContact OH-N 3.09Å; Y418-I538 HydrophobicContact CD1-CB 3.8Å; Y418-I538 HydrophobicContact CD1-CD1 3.66Å; Y418-I538 HydrophobicContact CD1-CG1 3.64Å; Y418-I538 HydrophobicContact CD2-CB 4.27Å; Y418-I538 HydrophobicContact CD2-CG1 4.17Å; Y418-I538 HydrophobicContact CE1-CB 3.84Å; Y418-I538 HydrophobicContact CE1-CD1 4.41Å; Y418-I538 HydrophobicContact CE1-CG1 4.22Å; Y418-I538 HydrophobicContact CE2-CB 4.3Å; Y418-I538 HydrophobicContact CG-CB 4.04Å; Y418-I538 HydrophobicContact CG-CD1 3.99Å; Y418-I538 HydrophobicContact CG-CG1 3.63Å
419	A	98.8	Very high	98.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-59.2	-47	-179.5	0	0	0	0	0	112.1	A376 V379 R380 K415 L416 A423	A376-A419 HydrophobicContact CB-CB 4.29Å; V379-A419 HydrophobicContact CB-CB 3.87Å; V379-A419 HydrophobicContact CG1-CB 3.6Å; R380-A419 HydrophobicContact CG-CB 3.72Å; K415-A419 WeakPolarHBondContact O-CB 3.31Å; K415-A419 PolarHBondContact O-N 2.87Å; L416-A419 PolarHBondContact O-N 3.37Å; A419-A423 WeakPolarHBondContact O-CB 3.03Å; A419-A423 PolarHBondContact O-N 3.06Å; A419-A423 VanDerWaalsContact O-N 3.09Å
420	Y	98.7	Very high	98.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-68.7	-33.1	175.3	-79.2	-59.3	0	0	0	113.3	V356 V379 L389 T391 L416 I417 Y418 K427 V442	V356-Y420 VanDerWaalsContact CB-OH 3.28Å; V356-Y420 WeakPolarHBondContact CB-OH 3.48Å; V356-Y420 VanDerWaalsContact CG1-OH 3.27Å; V356-Y420 WeakPolarHBondContact CG1-OH 3.48Å; V379-Y420 HydrophobicContact CG1-CD1 3.95Å; V379-Y420 HydrophobicContact CG1-CE1 4.22Å; V379-Y420 HydrophobicContact CG1-CG 4.33Å; V379-Y420 HydrophobicContact CG2-CD1 4.22Å; V379-Y420 HydrophobicContact CG2-CE1 3.7Å; V379-Y420 HydrophobicContact CG2-CE2 4.18Å; L389-Y420 HydrophobicContact CD1-CE1 4.43Å; T391-Y420 WeakPolarHBondContact CG2-OH 3.07Å; T391-Y420 PolarHBondContact OG1-OH 2.8Å; L416-Y420 HydrophobicContact CD1-CD2 3.75Å; L416-Y420 HydrophobicContact CD1-CE2 3.48Å; L416-Y420 VanDerWaalsContact CD1-CE2 3.48Å; L416-Y420 HydrophobicContact CG-CD2 4.03Å; L416-Y420 HydrophobicContact CG-CE2 3.92Å; L416-Y420 WeakPolarHBondContact O-CD2 3.36Å; L416-Y420 PolarHBondContact O-N 2.98Å; L416-Y420 VanDerWaalsContact O-N 3.07Å; I417-Y420 PolarHBondContact O-N 2.81Å; Y418-Y420 PolarHBondContact O-N 3.19Å; Y420-K427 HydrophobicContact CD1-CD 4.25Å; Y420-K427 PolarHBondContact O-NZ 3.22Å; Y420-V442 WeakPolarHBondContact CD2-O 3.23Å
421	S	98.4	Very high	98.5	Very high	40 Å²	40	21.8 Å²	21.8	28%	0.28	11%	0.111	S	C	.	.	H	α-helix	trans	-71.1	-40.4	-179.5	-59.4	0	0	0	0	112.8	I417 Y418 R449	I417-S421 VanDerWaalsContact O-CB 3.26Å; I417-S421 WeakPolarHBondContact O-CB 3.48Å; I417-S421 PolarHBondContact O-N 3.21Å; I417-S421 PolarHBondContact O-OG 2.99Å; Y418-S421 PolarHBondContact O-N 3.17Å; Y418-S421 VanDerWaalsContact O-N 3.16Å; S421-R449 PolarHBondContact O-NH1 3.46Å
422	E	98.3	Very high	98.5	Very high	35 Å²	35	16.2 Å²	16.2	16%	0.164	9%	0.09	C	C	.	.	H	α-helix	trans	-74.6	-33	176.8	82.4	-170.2	123.3	0	0	111.5	R380 Y418 T424 N530	R380-E422 WeakPolarHBondContact CD-OE1 3.34Å; R380-E422 IonicContact CZ-OE1 2.65Å; R380-E422 IonicContact CZ-OE2 3.12Å; R380-E422 IonicContact NE-OE1 3.49Å; R380-E422 PolarHBondContact NE-OE1 2.71Å; R380-E422 IonicContact NE-OE2 2.73Å; R380-E422 IonicContact NH2-OE1 3.9Å; R380-E422 PolarHBondContact NH2-OE1 3.39Å; R380-E422 IonicContact NH2-OE2 2.65Å; R380-E422 PolarHBondContact NH2-OE2 3.39Å; Y418-E422 HydrophobicContact CD1-CG 4.49Å; Y418-E422 VanDerWaalsContact CD1-OE1 3.23Å; Y418-E422 WeakPolarHBondContact CD1-OE1 3.48Å; Y418-E422 HydrophobicContact CE1-CB 4.4Å; Y418-E422 WeakPolarHBondContact CE1-OE1 3.2Å; Y418-E422 PolarHBondContact O-N 3.49Å; E422-T424 WeakPolarHBondContact O-CG2 3.25Å; E422-T424 PolarHBondContact O-N 3.38Å; E422-N530 PolarHBondContact O-ND2 3Å
423	A	98.6	Very high	98.4	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.089	C	C	.	.			trans	-56.3	128.5	-173.8	0	0	0	0	0	113.8	V379 D383 A419 V425 K427	V379-A423 HydrophobicContact CG1-CB 4.41Å; D383-A423 HydrophobicContact CB-CB 4.03Å; D383-A423 WeakPolarHBondContact OD1-CA 3.49Å; A419-A423 WeakPolarHBondContact O-CB 3.03Å; A419-A423 PolarHBondContact O-N 3.06Å; A419-A423 VanDerWaalsContact O-N 3.09Å; A423-V425 HydrophobicContact CB-CG2 4.49Å; A423-K427 HydrophobicContact CB-CD 4.05Å; A423-K427 PolarHBondContact O-NZ 3.23Å
424	T	98.4	Very high	98.4	Very high	39 Å²	39	17.3 Å²	17.3	24%	0.239	9%	0.093	C	C	.	.			trans	-107.8	-21.4	-175.8	61	0	0	0	0	113.9	D383 E422 K526 Q528	D383-T424 PolarHBondContact OD1-N 2.88Å; D383-T424 PolarHBondContact OD1-OG1 3.48Å; E422-T424 WeakPolarHBondContact O-CG2 3.25Å; E422-T424 PolarHBondContact O-N 3.38Å; T424-K526 WeakPolarHBondContact O-CD 3.41Å; T424-K526 WeakPolarHBondContact O-CE 3.31Å; T424-K526 PolarHBondContact O-NZ 3.36Å; T424-K526 VanDerWaalsContact O-NZ 3.13Å; T424-Q528 HydrophobicContact CG2-CG 4.42Å; T424-Q528 WeakPolarHBondContact CG2-O 3.47Å
425	V	98.5	Very high	98.3	Very high	9 Å²	9	15.9 Å²	15.9	6%	0.055	8%	0.081	C	C	.	.	S	Bend	trans	-52.8	161.6	169.5	-71.2	0	0	0	0	113	D383 L389 A423 K427 K526	D383-V425 HydrophobicContact CB-CG2 4.19Å; D383-V425 PolarHBondContact OD1-N 2.75Å; L389-V425 HydrophobicContact CD1-CG2 3.97Å; L389-V425 HydrophobicContact CG-CG2 4.3Å; A423-V425 HydrophobicContact CB-CG2 4.49Å; V425-K427 PolarHBondContact O-N 3.26Å; V425-K526 PolarHBondContact O-NZ 3.46Å
426	P	98.6	Very high	98.1	Very high	16 Å²	16	15.4 Å²	15.4	10%	0.104	8%	0.079	C	C	.	.			trans	-55.4	133	169.7	-25.9	36.5	0	0	0	111.7	P388 L389 D451 L520 L523 K526	P388-P426 HydrophobicContact CB-CB 4.15Å; P388-P426 HydrophobicContact CB-CG 4.48Å; P388-P426 HydrophobicContact CG-CG 4.38Å; L389-P426 PolarHBondContact N-O 3.5Å; P426-D451 WeakPolarHBondContact CA-OD2 3.23Å; P426-L520 HydrophobicContact CB-CD2 4.17Å; P426-L523 HydrophobicContact CB-CB 3.75Å; P426-L523 HydrophobicContact CB-CD1 4.12Å; P426-L523 HydrophobicContact CG-CB 3.89Å; P426-L523 WeakPolarHBondContact CG-O 3.4Å; P426-K526 HydrophobicContact CG-CD 4.37Å
427	K	98.7	Very high	97.9	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	109.3	179.8	-70.1	179.4	-57	-162	0	109.4	L389 Y420 A423 V425 L448 R449 D451 V452	L389-K427 HydrophobicContact CB-CG 4.21Å; L389-K427 HydrophobicContact CD1-CG 4.42Å; L389-K427 WeakPolarHBondContact O-CA 3.5Å; Y420-K427 HydrophobicContact CD1-CD 4.25Å; Y420-K427 PolarHBondContact O-NZ 3.22Å; A423-K427 HydrophobicContact CB-CD 4.05Å; A423-K427 PolarHBondContact O-NZ 3.23Å; V425-K427 PolarHBondContact O-N 3.26Å; K427-L448 PolarHBondContact NZ-O 3.21Å; K427-R449 WeakPolarHBondContact CE-O 3.2Å; K427-R449 PolarHBondContact NZ-O 2.94Å; K427-R449 VanDerWaalsContact NZ-O 3.15Å; K427-D451 PolarHBondContact N-OD2 2.92Å; K427-D451 PolarHBondContact O-N 2.89Å; K427-V452 PolarHBondContact O-N 2.66Å
428	V	98.8	Very high	97.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	132.9	173.6	-176	0	0	0	0	108.5	L389 I390 T391 V452 Y454 I516 D519 L520 L523	L389-V428 PolarHBondContact O-N 3.33Å; I390-V428 CarbonylContact C-O 3.44Å; I390-V428 VanDerWaalsContact CA-O 3.31Å; I390-V428 WeakPolarHBondContact CA-O 3.33Å; T391-V428 PolarHBondContact N-O 3.39Å; V428-V452 CarbonylContact C-O 3.58Å; V428-V452 WeakPolarHBondContact CA-O 3.16Å; V428-V452 HydrophobicContact CG1-CB 4.41Å; V428-Y454 HydrophobicContact CG1-CD2 4.35Å; V428-Y454 HydrophobicContact CG1-CE2 4.41Å; V428-I516 HydrophobicContact CG1-CG1 4.01Å; V428-D519 HydrophobicContact CG2-CB 4.29Å; V428-L520 HydrophobicContact CG2-CD2 4.08Å; V428-L520 HydrophobicContact CG2-CG 4.46Å; V428-L523 HydrophobicContact CG2-CD1 4.24Å
429	T	98.8	Very high	97.7	Very high	2 Å²	2	13 Å²	13	1%	0.012	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	138.4	-177.5	-57.9	0	0	0	0	110.1	T391 V393 S444 V452 N453 Y454	T391-T429 HydrophobicContact CG2-CG2 4.38Å; T391-T429 CarbonylContact O-C 3.59Å; T391-T429 VanDerWaalsContact O-CA 3.3Å; T391-T429 WeakPolarHBondContact O-CA 3.34Å; V393-T429 HydrophobicContact CG2-CG2 3.71Å; T429-S444 VanDerWaalsContact OG1-CB 3.31Å; T429-S444 WeakPolarHBondContact OG1-CB 3.25Å; T429-S444 PolarHBondContact OG1-O 2.83Å; T429-S444 VanDerWaalsContact OG1-O 3.14Å; T429-S444 PolarHBondContact OG1-OG 2.92Å; T429-S444 VanDerWaalsContact OG1-OG 3.14Å; T429-V452 PolarHBondContact N-O 3.09Å; T429-N453 WeakPolarHBondContact CB-ND2 3.44Å; T429-N453 CarbonylContact O-C 3.56Å; T429-N453 WeakPolarHBondContact O-CA 3.4Å; T429-Y454 PolarHBondContact O-N 3.08Å
430	V	98.8	Very high	97.6	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	112.8	176.8	-171.9	0	0	0	0	109	T391 L392 V393 T432 Y454 T512 I516	T391-V430 PolarHBondContact O-N 2.86Å; L392-V430 WeakPolarHBondContact CA-O 3.46Å; L392-V430 HydrophobicContact CD2-CB 3.94Å; L392-V430 HydrophobicContact CD2-CG2 4.27Å; V393-V430 PolarHBondContact N-O 3.49Å; V430-T432 PolarHBondContact O-N 3.11Å; V430-Y454 WeakPolarHBondContact CA-O 3.42Å; V430-Y454 HydrophobicContact CG2-CD2 4.47Å; V430-T512 HydrophobicContact CG1-CG2 4.17Å; V430-T512 HydrophobicContact CG2-CG2 3.99Å; V430-I516 HydrophobicContact CG2-CD1 4.15Å; V430-I516 HydrophobicContact CG2-CG1 4.43Å
431	I	98.5	Very high	97.5	Very high	4 Å²	4	17 Å²	17	2%	0.021	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	112.2	172	-51.1	176.6	0	0	0	108.6	V393 R433 A435 Y440 Y454 C455 W456 A459 V461 I503	V393-I431 HydrophobicContact CB-CB 4.33Å; V393-I431 HydrophobicContact CB-CG1 4.06Å; V393-I431 HydrophobicContact CB-CG2 4.33Å; V393-I431 HydrophobicContact CG2-CG1 4.3Å; I431-R433 WeakPolarHBondContact CG2-O 3.42Å; I431-A435 HydrophobicContact CD1-CB 3.93Å; I431-A435 HydrophobicContact CG1-CB 4.47Å; I431-A435 HydrophobicContact CG2-CB 3.85Å; I431-Y440 HydrophobicContact CD1-CD2 4.29Å; I431-Y440 HydrophobicContact CD1-CE2 4.25Å; I431-Y454 PolarHBondContact N-O 3.21Å; I431-C455 HydrophobicContact CB-CB 3.84Å; I431-C455 CarbonylContact O-C 3.54Å; I431-C455 VanDerWaalsContact O-CA 3.26Å; I431-C455 WeakPolarHBondContact O-CA 3.46Å; I431-W456 PolarHBondContact O-N 2.77Å; I431-A459 HydrophobicContact CB-CB 4.24Å; I431-A459 HydrophobicContact CG2-CB 3.82Å; I431-V461 HydrophobicContact CD1-CG2 3.83Å; I431-I503 HydrophobicContact CD1-CD1 3.73Å
432	T	98.1	Very high	97.5	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	-37.7	-178.4	57.6	0	0	0	0	111.5	Y315 M317 V393 V430 W456 T458	Y315-T432 PolarHBondContact OH-OG1 3.33Å; M317-T432 HydrophobicContact CE-CG2 4.42Å; V393-T432 PolarHBondContact O-N 2.85Å; V393-T432 PolarHBondContact O-OG1 3.49Å; V430-T432 PolarHBondContact O-N 3.11Å; T432-W456 HydrophobicContact CG2-CD2 4.04Å; T432-W456 HydrophobicContact CG2-CE3 3.81Å; T432-W456 HydrophobicContact CG2-CH2 3.74Å; T432-W456 HydrophobicContact CG2-CZ2 3.97Å; T432-W456 HydrophobicContact CG2-CZ3 3.65Å; T432-T458 PolarHBondContact O-OG1 3.3Å
433	R	97.1	Very high	97.5	Very high	10 Å²	10	13.5 Å²	13.5	4%	0.038	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	-98.5	175.3	-168.4	179.5	49.6	-178.2	-4.1	112.3	V307 A313 V393 D394 I431 A459 E460	V307-R433 HydrophobicContact CG1-CB 4.18Å; V307-R433 HydrophobicContact CG1-CG 4.21Å; A313-R433 PolarHBondContact O-NH1 3.11Å; A313-R433 PolarHBondContact O-NH2 3.27Å; V393-R433 PolarHBondContact O-N 2.94Å; D394-R433 HydrophobicContact CB-CB 4.4Å; D394-R433 IonicContact OD1-NE 3.53Å; D394-R433 PolarHBondContact OD1-NE 3.35Å; D394-R433 IonicContact OD2-CZ 2.75Å; D394-R433 IonicContact OD2-NE 3.44Å; D394-R433 PolarHBondContact OD2-NE 2.65Å; D394-R433 IonicContact OD2-NH2 2.9Å; D394-R433 PolarHBondContact OD2-NH2 2.8Å; I431-R433 WeakPolarHBondContact CG2-O 3.42Å; R433-A459 CarbonylContact O-C 3.51Å; R433-A459 WeakPolarHBondContact O-CA 3.04Å; R433-E460 PolarHBondContact O-N 3.09Å
434	K	96.3	Very high	97.5	Very high	31 Å²	31	13.5 Å²	13.5	14%	0.135	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	139.1	-169.8	-58.5	170.2	-171.2	165	0	111.5	S311 D394 V395 P396 Y436	S311-K434 WeakPolarHBondContact O-CE 3.32Å; S311-K434 PolarHBondContact O-NZ 3.1Å; D394-K434 CarbonylContact C-O 3.57Å; D394-K434 VanDerWaalsContact CA-O 3.3Å; D394-K434 WeakPolarHBondContact CA-O 3.31Å; D394-K434 VanDerWaalsContact OD1-CB 3.24Å; D394-K434 WeakPolarHBondContact OD1-CB 3.5Å; D394-K434 WeakPolarHBondContact OD1-CG 3.19Å; D394-K434 PolarHBondContact OD1-N 2.65Å; V395-K434 PolarHBondContact N-O 3.41Å; V395-K434 CarbonylContact O-C 3.49Å; P396-K434 HydrophobicContact CB-CD 4.16Å; K434-Y436 HydrophobicContact CB-CD2 4.45Å; K434-Y436 HydrophobicContact CB-CE1 4.48Å; K434-Y436 HydrophobicContact CB-CE2 4.1Å; K434-Y436 HydrophobicContact CD-CE2 4.06Å; K434-Y436 HydrophobicContact CG-CE2 4.05Å
435	A	97.1	Very high	97.5	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	91.5	164.9	0	0	0	0	0	109.5	V393 I431 Y440 E460 V461 A462	V393-A435 HydrophobicContact CG1-CB 4.02Å; I431-A435 HydrophobicContact CD1-CB 3.93Å; I431-A435 HydrophobicContact CG1-CB 4.47Å; I431-A435 HydrophobicContact CG2-CB 3.85Å; A435-Y440 HydrophobicContact CB-CD2 3.92Å; A435-Y440 HydrophobicContact CB-CG 4.43Å; A435-E460 PolarHBondContact N-O 3.49Å; A435-V461 HydrophobicContact CB-CG2 4.44Å; A435-A462 PolarHBondContact O-N 3.14Å
436	Y	95.2	Very high	97.4	Very high	19 Å²	19	13.6 Å²	13.6	8%	0.075	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	135.4	-172	-61.2	-25.3	0	0	0	115	V395 P396 K434 A439 Y440 E460 A462	V395-Y436 PolarHBondContact O-N 3.01Å; V395-Y436 VanDerWaalsContact O-N 3.17Å; P396-Y436 HydrophobicContact CB-CD2 4.27Å; P396-Y436 WeakPolarHBondContact O-CB 3.5Å; P396-Y436 WeakPolarHBondContact O-CD2 3.29Å; K434-Y436 HydrophobicContact CB-CD2 4.45Å; K434-Y436 HydrophobicContact CB-CE1 4.48Å; K434-Y436 HydrophobicContact CB-CE2 4.1Å; K434-Y436 HydrophobicContact CD-CE2 4.06Å; K434-Y436 HydrophobicContact CG-CE2 4.05Å; Y436-A439 WeakPolarHBondContact O-CB 3.38Å; Y436-A439 PolarHBondContact O-N 2.9Å; Y436-A439 VanDerWaalsContact O-N 3.1Å; Y436-Y440 PolarHBondContact O-N 3.38Å; Y436-E460 HydrophobicContact CE1-CB 3.74Å; Y436-E460 VanDerWaalsContact CE1-O 3.27Å; Y436-E460 WeakPolarHBondContact CE1-O 3.15Å; Y436-E460 WeakPolarHBondContact OH-CB 3.46Å; Y436-E460 PolarHBondContact OH-OE1 3.24Å; Y436-E460 PolarHBondContact OH-OE2 3.15Å; Y436-A462 WeakPolarHBondContact CA-O 3.5Å; Y436-A462 HydrophobicContact CD1-CB 3.99Å; Y436-A462 HydrophobicContact CE1-CB 4.05Å
437	G	93.8	Very high	97.4	Very high	21 Å²	21	17.8 Å²	17.8	22%	0.216	10%	0.104	C	C	.	.	H	α-helix	trans	53	-133.2	165.6	0	0	0	0	0	114	A439 Y440 C441 A462 V463	G437-A439 PolarHBondContact O-N 2.85Å; G437-Y440 WeakPolarHBondContact O-CB 3.31Å; G437-Y440 PolarHBondContact O-N 2.65Å; G437-C441 PolarHBondContact O-N 3.46Å; G437-A462 PolarHBondContact N-O 2.98Å; G437-V463 WeakPolarHBondContact CA-O 3.34Å; G437-V463 PolarHBondContact N-O 3.46Å
438	G	94.5	Very high	97.3	Very high	46 Å²	46	18.9 Å²	18.9	47%	0.474	11%	0.11	S	C	.	.	H	α-helix	trans	-59.9	-28	179.1	0	0	0	0	0	113.9	C441 V442	G438-C441 WeakPolarHBondContact O-CB 3.3Å; G438-C441 PolarHBondContact O-N 2.99Å; G438-V442 WeakPolarHBondContact O-CG2 3.37Å; G438-V442 PolarHBondContact O-N 3.41Å; G438-V442 VanDerWaalsContact O-N 3.11Å
439	A	96.9	Very high	97.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-74.9	-33.7	-179.4	0	0	0	0	0	112.7	L367 V395 F398 Y436 G437 C441 V442 M443	L367-A439 HydrophobicContact CD1-CB 4.14Å; V395-A439 HydrophobicContact CB-CB 4.28Å; V395-A439 HydrophobicContact CG1-CB 3.74Å; V395-A439 HydrophobicContact CG2-CB 3.52Å; F398-A439 HydrophobicContact CD2-CB 4.42Å; F398-A439 HydrophobicContact CE2-CB 4.34Å; Y436-A439 WeakPolarHBondContact O-CB 3.38Å; Y436-A439 PolarHBondContact O-N 2.9Å; Y436-A439 VanDerWaalsContact O-N 3.1Å; G437-A439 PolarHBondContact O-N 2.85Å; A439-C441 VanDerWaalsContact C-N 3.31Å; A439-C441 PolarHBondContact O-N 3.21Å; A439-V442 PolarHBondContact O-N 3.06Å; A439-M443 WeakPolarHBondContact O-CG 3.35Å; A439-M443 PolarHBondContact O-N 2.82Å
440	Y	97.5	Very high	97.1	Very high	26 Å²	26	22.9 Å²	22.9	10%	0.102	13%	0.127	C	C	.	.	H	α-helix	trans	-54.8	-48.3	166	159.1	-102.2	0	0	0	111	I431 A435 Y436 G437 V442 M443 V461	I431-Y440 HydrophobicContact CD1-CD2 4.29Å; I431-Y440 HydrophobicContact CD1-CE2 4.25Å; A435-Y440 HydrophobicContact CB-CD2 3.92Å; A435-Y440 HydrophobicContact CB-CG 4.43Å; Y436-Y440 PolarHBondContact O-N 3.38Å; G437-Y440 WeakPolarHBondContact O-CB 3.31Å; G437-Y440 PolarHBondContact O-N 2.65Å; Y440-V442 VanDerWaalsContact C-N 3.29Å; Y440-V442 PolarHBondContact O-N 2.59Å; Y440-M443 PolarHBondContact O-N 2.78Å; Y440-V461 HydrophobicContact CD2-CG1 3.95Å; Y440-V461 HydrophobicContact CE2-CG1 3.91Å; Y440-V461 HydrophobicContact CG-CG1 4.44Å
441	C	97.1	Very high	97.1	Very high	58 Å²	58	25 Å²	25	39%	0.392	14%	0.138	S	C	.	.	H	α-helix	trans	-58.9	-43.2	179.7	-58.8	0	0	0	0	111.5	G437 G438 A439 S445 L448	G437-C441 PolarHBondContact O-N 3.46Å; G438-C441 WeakPolarHBondContact O-CB 3.3Å; G438-C441 PolarHBondContact O-N 2.99Å; A439-C441 VanDerWaalsContact C-N 3.31Å; A439-C441 PolarHBondContact O-N 3.21Å; C441-S445 PolarHBondContact O-OG 3.33Å; C441-L448 WeakPolarHBondContact O-CD1 3.26Å; C441-L448 WeakPolarHBondContact O-CG 3.45Å
442	V	97.9	Very high	97.1	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.006	14%	0.143	C	C	.	.	H	α-helix	trans	-65.5	-42.2	-177.9	178.1	0	0	0	0	112.9	L367 F398 L416 I417 Y420 G438 A439 Y440 S444	L367-V442 HydrophobicContact CD1-CB 4.13Å; L367-V442 HydrophobicContact CD1-CG1 3.84Å; F398-V442 HydrophobicContact CE2-CG2 3.97Å; F398-V442 HydrophobicContact CZ-CG2 3.72Å; L416-V442 HydrophobicContact CB-CG1 3.8Å; L416-V442 HydrophobicContact CD2-CG1 3.62Å; L416-V442 HydrophobicContact CG-CG1 3.57Å; I417-V442 HydrophobicContact CD1-CG2 3.69Å; I417-V442 HydrophobicContact CG1-CB 4.06Å; I417-V442 HydrophobicContact CG1-CG1 4.07Å; I417-V442 HydrophobicContact CG1-CG2 3.42Å; I417-V442 VanDerWaalsContact CG1-CG2 3.42Å; Y420-V442 WeakPolarHBondContact CD2-O 3.23Å; G438-V442 WeakPolarHBondContact O-CG2 3.37Å; G438-V442 PolarHBondContact O-N 3.41Å; G438-V442 VanDerWaalsContact O-N 3.11Å; A439-V442 PolarHBondContact O-N 3.06Å; Y440-V442 VanDerWaalsContact C-N 3.29Å; Y440-V442 PolarHBondContact O-N 2.59Å; V442-S444 VanDerWaalsContact C-N 3.27Å; V442-S444 PolarHBondContact O-N 2.64Å
443	M	98.5	Very high	97.1	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.01	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	64.7	-170.9	-64	-58.8	-59.9	0	0	112.9	I341 V356 N358 L367 T391 V393 V395 L416 A439 Y440 S445	I341-M443 HydrophobicContact CD1-CE 4.39Å; V356-M443 HydrophobicContact CG1-CE 4.15Å; N358-M443 WeakPolarHBondContact OD1-CE 3.38Å; L367-M443 HydrophobicContact CD1-CG 4.3Å; L367-M443 HydrophobicContact CD1-SD 4Å; L367-M443 HydrophobicContact CD2-SD 4.07Å; L367-M443 HydrophobicContact CG-SD 4.47Å; T391-M443 HydrophobicContact CG2-CB 4.31Å; T391-M443 HydrophobicContact CG2-CE 3.7Å; V393-M443 HydrophobicContact CG1-CB 4.04Å; V393-M443 HydrophobicContact CG1-CG 4.38Å; V393-M443 HydrophobicContact CG2-CB 3.91Å; V395-M443 HydrophobicContact CG1-CG 4.07Å; L416-M443 HydrophobicContact CD2-SD 4.02Å; A439-M443 WeakPolarHBondContact O-CG 3.35Å; A439-M443 PolarHBondContact O-N 2.82Å; Y440-M443 PolarHBondContact O-N 2.78Å; M443-S445 VanDerWaalsContact C-N 3.27Å; M443-S445 PolarHBondContact O-N 3.08Å
444	S	98.3	Very high	97.2	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	37.7	175.6	-168.5	0	0	0	0	114.8	T391 T429 V442 N453	T391-S444 WeakPolarHBondContact OG1-CB 3.32Å; T429-S444 VanDerWaalsContact OG1-CB 3.31Å; T429-S444 WeakPolarHBondContact OG1-CB 3.25Å; T429-S444 PolarHBondContact OG1-O 2.83Å; T429-S444 VanDerWaalsContact OG1-O 3.14Å; T429-S444 PolarHBondContact OG1-OG 2.92Å; T429-S444 VanDerWaalsContact OG1-OG 3.14Å; V442-S444 VanDerWaalsContact C-N 3.27Å; V442-S444 PolarHBondContact O-N 2.64Å; S444-N453 PolarHBondContact O-ND2 3.32Å
445	S	97.8	Very high	97.3	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.014	14%	0.138	C	C	.	.			trans	-55.5	154.5	172.9	65.4	0	0	0	0	112	C441 M443 H447 L448	C441-S445 PolarHBondContact O-OG 3.33Å; M443-S445 VanDerWaalsContact C-N 3.27Å; M443-S445 PolarHBondContact O-N 3.08Å; S445-H447 PolarHBondContact O-N 3.03Å; S445-L448 WeakPolarHBondContact O-CA 3.43Å; S445-L448 PolarHBondContact O-N 3.37Å
446	K	97.6	Very high	97.3	Very high	47 Å²	47	24.6 Å²	24.6	20%	0.204	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-52.1	-33.5	176.3	-170.7	169.3	-66.8	-66.3	0	112.6	L448 R449 N453 G501 Y502 D504	K446-L448 PolarHBondContact O-N 3Å; K446-R449 WeakPolarHBondContact O-CA 3.12Å; K446-R449 PolarHBondContact O-N 3.31Å; K446-N453 VanDerWaalsContact CA-OD1 3.27Å; K446-N453 WeakPolarHBondContact CA-OD1 3.48Å; K446-N453 WeakPolarHBondContact CB-OD1 3.49Å; K446-N453 PolarHBondContact N-ND2 3.12Å; K446-N453 PolarHBondContact N-OD1 3.12Å; K446-G501 VanDerWaalsContact CD-O 3.24Å; K446-G501 WeakPolarHBondContact CD-O 3.42Å; K446-G501 WeakPolarHBondContact CE-O 3.37Å; K446-Y502 WeakPolarHBondContact CE-O 3.44Å; K446-D504 VanDerWaalsContact CE-OD1 3.28Å; K446-D504 WeakPolarHBondContact CE-OD1 3.48Å; K446-D504 WeakPolarHBondContact CE-OD2 3.26Å; K446-D504 IonicContact NZ-OD1 2.75Å; K446-D504 PolarHBondContact NZ-OD1 2.78Å; K446-D504 IonicContact NZ-OD2 2.79Å; K446-D504 PolarHBondContact NZ-OD2 2.84Å
447	H	97.7	Very high	97.3	Very high	104 Å²	104	27.2 Å²	27.2	48%	0.481	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-63.8	-23.7	176.1	-50.1	-54.9	0	0	0	114	S445 R449 Y502	S445-H447 PolarHBondContact O-N 3.03Å; H447-R449 VanDerWaalsContact C-N 3.27Å; H447-R449 PolarHBondContact O-N 2.88Å; H447-Y502 AromaticContact CE1-CD1 3.61Å; H447-Y502 AromaticContact CE1-CE1 3.73Å; H447-Y502 AromaticContact CE1-CG 3.84Å; H447-Y502 AromaticContact NE2-CD2 3.83Å; H447-Y502 AromaticContact NE2-CG 3.83Å
448	L	97.5	Very high	97.4	Very high	24 Å²	24	29 Å²	29	13%	0.126	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-91.9	24.6	170.7	-53.7	-165.7	0	0	0	112.7	I417 K427 C441 S445 K446	I417-L448 HydrophobicContact CG2-CD1 4.09Å; I417-L448 HydrophobicContact CG2-CD2 4.3Å; K427-L448 PolarHBondContact NZ-O 3.21Å; C441-L448 WeakPolarHBondContact O-CD1 3.26Å; C441-L448 WeakPolarHBondContact O-CG 3.45Å; S445-L448 WeakPolarHBondContact O-CA 3.43Å; S445-L448 PolarHBondContact O-N 3.37Å; K446-L448 PolarHBondContact O-N 3Å
449	R	96.3	Very high	97.5	Very high	78 Å²	78	26.9 Å²	26.9	29%	0.294	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	39.9	-178.6	-48.5	148	71.6	-171.9	19.3	112.4	S421 K427 K446 H447 Q528 N530	S421-R449 PolarHBondContact O-NH1 3.46Å; K427-R449 WeakPolarHBondContact CE-O 3.2Å; K427-R449 PolarHBondContact NZ-O 2.94Å; K427-R449 VanDerWaalsContact NZ-O 3.15Å; K446-R449 WeakPolarHBondContact O-CA 3.12Å; K446-R449 PolarHBondContact O-N 3.31Å; H447-R449 VanDerWaalsContact C-N 3.27Å; H447-R449 PolarHBondContact O-N 2.88Å; R449-Q528 VanDerWaalsContact NH2-CG 3.27Å; R449-N530 PolarHBondContact NH1-OD1 3.23Å; R449-N530 PolarHBondContact NH2-OD1 3.19Å; R449-N530 VanDerWaalsContact NH2-OD1 3.07Å
450	G	97.2	Very high	97.4	Very high	7 Å²	7	28.5 Å²	28.5	7%	0.072	15%	0.149	C	C	.	.			trans	-62.9	132.4	162.2	0	0	0	0	0	109.4
451	D	98.4	Very high	97.3	Very high	44 Å²	44	28.1 Å²	28.1	24%	0.235	15%	0.15	C	C	.	.	S	Bend	trans	-76.2	-45.7	-177.2	-57.5	-70.5	0	0	0	110.4	P426 K427 L523 K526	P426-D451 WeakPolarHBondContact CA-OD2 3.23Å; K427-D451 PolarHBondContact N-OD2 2.92Å; K427-D451 PolarHBondContact O-N 2.89Å; D451-L523 HydrophobicContact CB-CD1 3.62Å; D451-L523 HydrophobicContact CB-CD2 3.83Å; D451-L523 HydrophobicContact CB-CG 4.41Å; D451-K526 WeakPolarHBondContact OD1-CE 3.35Å; D451-K526 IonicContact OD1-NZ 2.94Å; D451-K526 PolarHBondContact OD1-NZ 3.33Å; D451-K526 IonicContact OD2-NZ 3.1Å; D451-K526 PolarHBondContact OD2-NZ 2.96Å
452	V	98.2	Very high	97.2	Very high	21 Å²	21	26 Å²	26	13%	0.127	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	129.8	176.7	-172.8	0	0	0	0	109.6	K427 V428 T429 Y454 D504 D519 L523	K427-V452 PolarHBondContact O-N 2.66Å; V428-V452 CarbonylContact C-O 3.58Å; V428-V452 WeakPolarHBondContact CA-O 3.16Å; V428-V452 HydrophobicContact CG1-CB 4.41Å; T429-V452 PolarHBondContact N-O 3.09Å; V452-Y454 HydrophobicContact CG1-CD1 4.38Å; V452-Y454 HydrophobicContact CG1-CD2 3.89Å; V452-Y454 HydrophobicContact CG1-CE1 3.98Å; V452-Y454 HydrophobicContact CG1-CE2 3.41Å; V452-Y454 VanDerWaalsContact CG1-CE2 3.41Å; V452-Y454 HydrophobicContact CG1-CG 4.35Å; V452-Y454 VanDerWaalsContact CG1-CZ 3.47Å; V452-D504 WeakPolarHBondContact CA-OD2 3.47Å; V452-D519 HydrophobicContact CG2-CB 4.13Å; V452-L523 HydrophobicContact CG2-CD1 4.45Å
453	N	98.6	Very high	97	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.011	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	100.4	-179.5	-70.3	92.8	0	0	0	108.4	T429 S444 K446 I503 D504	T429-N453 WeakPolarHBondContact CB-ND2 3.44Å; T429-N453 CarbonylContact O-C 3.56Å; T429-N453 WeakPolarHBondContact O-CA 3.4Å; S444-N453 PolarHBondContact O-ND2 3.32Å; K446-N453 VanDerWaalsContact CA-OD1 3.27Å; K446-N453 WeakPolarHBondContact CA-OD1 3.48Å; K446-N453 WeakPolarHBondContact CB-OD1 3.49Å; K446-N453 PolarHBondContact N-ND2 3.12Å; K446-N453 PolarHBondContact N-OD1 3.12Å; N453-I503 HydrophobicContact CB-CD1 4.29Å; N453-I503 CarbonylContact O-C 3.48Å; N453-I503 WeakPolarHBondContact O-CA 3.34Å; N453-I503 VanDerWaalsContact O-CG2 3.3Å; N453-I503 WeakPolarHBondContact O-CG2 3.21Å; N453-D504 PolarHBondContact N-OD2 3.17Å; N453-D504 PolarHBondContact O-N 2.92Å
454	Y	98.6	Very high	96.6	Very high	14 Å²	14	34.4 Å²	34.4	6%	0.055	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	163.6	171.9	-64.8	-61.6	0	0	0	111.8	V428 T429 V430 I431 V452 D505 I507 R515 D519	V428-Y454 HydrophobicContact CG1-CD2 4.35Å; V428-Y454 HydrophobicContact CG1-CE2 4.41Å; T429-Y454 PolarHBondContact O-N 3.08Å; V430-Y454 WeakPolarHBondContact CA-O 3.42Å; V430-Y454 HydrophobicContact CG2-CD2 4.47Å; I431-Y454 PolarHBondContact N-O 3.21Å; V452-Y454 HydrophobicContact CG1-CD1 4.38Å; V452-Y454 HydrophobicContact CG1-CD2 3.89Å; V452-Y454 HydrophobicContact CG1-CE1 3.98Å; V452-Y454 HydrophobicContact CG1-CE2 3.41Å; V452-Y454 VanDerWaalsContact CG1-CE2 3.41Å; V452-Y454 HydrophobicContact CG1-CG 4.35Å; V452-Y454 VanDerWaalsContact CG1-CZ 3.47Å; Y454-D505 HydrophobicContact CD1-CB 3.86Å; Y454-D505 HydrophobicContact CE1-CB 3.83Å; Y454-I507 HydrophobicContact CD1-CD1 4.3Å; Y454-I507 HydrophobicContact CD1-CG2 3.53Å; Y454-I507 HydrophobicContact CD2-CD1 4.2Å; Y454-I507 HydrophobicContact CE1-CG2 3.86Å; Y454-I507 HydrophobicContact CG-CD1 3.89Å; Y454-I507 HydrophobicContact CG-CG1 4.44Å; Y454-I507 HydrophobicContact CG-CG2 4.21Å; Y454-R515 HydrophobicContact CD2-CB 4.49Å; Y454-R515 HydrophobicContact CE2-CB 3.79Å; Y454-D519 WeakPolarHBondContact CE2-OD2 3.3Å; Y454-D519 PolarHBondContact OH-OD2 3.25Å
455	C	98	Very high	96.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	160.3	160.3	72.4	0	0	0	0	111.8	I431 A459 P494 I503 D505 I506 I507	I431-C455 HydrophobicContact CB-CB 3.84Å; I431-C455 CarbonylContact O-C 3.54Å; I431-C455 VanDerWaalsContact O-CA 3.26Å; I431-C455 WeakPolarHBondContact O-CA 3.46Å; C455-A459 HydrophobicContact CB-CB 3.6Å; C455-P494 WeakPolarHBondContact SG-CB 3.26Å; C455-I503 HydrophobicContact CB-CG2 4.26Å; C455-D505 PolarHBondContact N-O 3.22Å; C455-I506 CarbonylContact O-C 3.28Å; C455-I506 WeakPolarHBondContact O-CA 3.41Å; C455-I507 PolarHBondContact O-N 2.61Å
456	W	98	Very high	95.7	Very high	1 Å²	1	36.6 Å²	36.6	0%	0.004	20%	0.204	C	C	.	.			trans	-84.4	164.7	169.4	-67.1	-7	0	0	0	111	L303 V306 V307 V320 I431 T432 T458 A459 P509 T512	L303-W456 HydrophobicContact CB-CH2 4.11Å; L303-W456 HydrophobicContact CB-CZ2 4.24Å; L303-W456 HydrophobicContact CD1-CZ2 4.22Å; L303-W456 HydrophobicContact CD2-CH2 4.21Å; V306-W456 HydrophobicContact CG1-CH2 4Å; V306-W456 HydrophobicContact CG1-CZ3 3.75Å; V307-W456 HydrophobicContact CG2-CE3 3.8Å; V307-W456 HydrophobicContact CG2-CZ3 3.67Å; V320-W456 HydrophobicContact CG1-CH2 3.9Å; V320-W456 HydrophobicContact CG1-CZ2 4.33Å; V320-W456 HydrophobicContact CG2-CH2 4.21Å; I431-W456 PolarHBondContact O-N 2.77Å; T432-W456 HydrophobicContact CG2-CD2 4.04Å; T432-W456 HydrophobicContact CG2-CE3 3.81Å; T432-W456 HydrophobicContact CG2-CH2 3.74Å; T432-W456 HydrophobicContact CG2-CZ2 3.97Å; T432-W456 HydrophobicContact CG2-CZ3 3.65Å; W456-T458 PolarHBondContact O-N 3.14Å; W456-A459 WeakPolarHBondContact O-CB 3.45Å; W456-A459 PolarHBondContact O-N 2.86Å; W456-P509 HydrophobicContact CB-CG 4.12Å; W456-P509 HydrophobicContact CD2-CB 3.76Å; W456-P509 HydrophobicContact CD2-CG 3.83Å; W456-P509 HydrophobicContact CE3-CB 4.11Å; W456-P509 HydrophobicContact CE3-CG 4.19Å; W456-P509 HydrophobicContact CG-CB 4.14Å; W456-P509 HydrophobicContact CG-CG 3.8Å; W456-P509 HydrophobicContact CH2-CB 4.42Å; W456-P509 HydrophobicContact CZ2-CB 4.08Å; W456-P509 HydrophobicContact CZ3-CB 4.43Å; W456-T512 PolarHBondContact NE1-OG1 2.78Å
457	P	96	Very high	95.2	Very high	74 Å²	74	41.4 Å²	41.4	48%	0.481	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-24.5	176.5	-23.5	35.3	0	0	0	113.3	A459 I507	P457-A459 PolarHBondContact O-N 3.11Å; P457-I507 WeakPolarHBondContact CD-O 3.47Å
458	T	95.6	Very high	94.7	Very high	59 Å²	59	38 Å²	38	36%	0.362	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	1.3	175	43.5	0	0	0	0	114.3	V307 T432 W456	V307-T458 HydrophobicContact CB-CG2 4.44Å; V307-T458 HydrophobicContact CG1-CG2 4.23Å; T432-T458 PolarHBondContact O-OG1 3.3Å; W456-T458 PolarHBondContact O-N 3.14Å
459	A	96.3	Very high	94.4	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.008	21%	0.214	C	C	.	.			trans	-79.1	129.1	-173.7	0	0	0	0	0	113.7	I431 R433 C455 W456 P457 N493 P494	I431-A459 HydrophobicContact CB-CB 4.24Å; I431-A459 HydrophobicContact CG2-CB 3.82Å; R433-A459 CarbonylContact O-C 3.51Å; R433-A459 WeakPolarHBondContact O-CA 3.04Å; C455-A459 HydrophobicContact CB-CB 3.6Å; W456-A459 WeakPolarHBondContact O-CB 3.45Å; W456-A459 PolarHBondContact O-N 2.86Å; P457-A459 PolarHBondContact O-N 3.11Å; A459-N493 CarbonylContact O-C 3.15Å; A459-N493 VanDerWaalsContact O-CA 3.29Å; A459-N493 WeakPolarHBondContact O-CA 3.27Å; A459-P494 HydrophobicContact CB-CB 4.29Å; A459-P494 WeakPolarHBondContact O-CD 3.45Å; A459-P494 VanDerWaalsContact O-N 3.14Å
460	E	95	Very high	94.2	Very high	33 Å²	33	33.4 Å²	33.4	15%	0.154	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	103.4	176.8	-59.4	-176.7	-107.7	0	0	108.9	R433 A435 Y436 S492	R433-E460 PolarHBondContact O-N 3.09Å; A435-E460 PolarHBondContact N-O 3.49Å; Y436-E460 HydrophobicContact CE1-CB 3.74Å; Y436-E460 VanDerWaalsContact CE1-O 3.27Å; Y436-E460 WeakPolarHBondContact CE1-O 3.15Å; Y436-E460 WeakPolarHBondContact OH-CB 3.46Å; Y436-E460 PolarHBondContact OH-OE1 3.24Å; Y436-E460 PolarHBondContact OH-OE2 3.15Å; E460-S492 WeakPolarHBondContact OE2-CB 3.49Å; E460-S492 PolarHBondContact OE2-OG 2.77Å
461	V	94.9	Very high	93.8	Very high	19 Å²	19	40.9 Å²	40.9	12%	0.115	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	96.2	-176.4	-171.8	0	0	0	0	110.1	I431 A435 Y440 A497	I431-V461 HydrophobicContact CD1-CG2 3.83Å; A435-V461 HydrophobicContact CB-CG2 4.44Å; Y440-V461 HydrophobicContact CD2-CG1 3.95Å; Y440-V461 HydrophobicContact CE2-CG1 3.91Å; Y440-V461 HydrophobicContact CG-CG1 4.44Å; V461-A497 HydrophobicContact CB-CB 4.07Å; V461-A497 HydrophobicContact CG1-CB 3.91Å; V461-A497 HydrophobicContact CG2-CB 4.43Å
462	A	94.2	Very high	93.4	Very high	14 Å²	14	43 Å²	43	12%	0.116	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	164.4	-169.1	0	0	0	0	0	113.4	A435 Y436 G437 M464	A435-A462 PolarHBondContact O-N 3.14Å; Y436-A462 WeakPolarHBondContact CA-O 3.5Å; Y436-A462 HydrophobicContact CD1-CB 3.99Å; Y436-A462 HydrophobicContact CE1-CB 4.05Å; G437-A462 PolarHBondContact N-O 2.98Å; A462-M464 VanDerWaalsContact C-N 3.33Å; A462-M464 PolarHBondContact O-N 3.38Å
463	V	93.2	Very high	93	Very high	108 Å²	108	47.4 Å²	47.4	66%	0.655	26%	0.263	S	S	*	.	S	Bend	trans	-67.5	-35.3	177.3	177.7	0	0	0	0	111.6	G437	G437-V463 WeakPolarHBondContact CA-O 3.34Å; G437-V463 PolarHBondContact N-O 3.46Å
464	M	91.7	Very high	92.5	Very high	71 Å²	71	50.3 Å²	50.3	35%	0.35	28%	0.276	S	S	.	.	S	Bend	trans	-163.3	169	171.9	61.1	-178.3	69.4	0	0	109.1	A462 G468 A469 I472	A462-M464 VanDerWaalsContact C-N 3.33Å; A462-M464 PolarHBondContact O-N 3.38Å; M464-G468 VanDerWaalsContact SD-C 3.54Å; M464-A469 HydrophobicContact CG-CB 3.84Å; M464-A469 HydrophobicContact SD-CB 4.35Å; M464-A469 PolarHBondContact SD-N 2.88Å; M464-I472 HydrophobicContact CE-CD1 3.98Å; M464-I472 HydrophobicContact SD-CD1 3.83Å
465	G	88	Confident	91.8	Very high	29 Å²	29	59.1 Å²	59.1	30%	0.299	31%	0.309	S	S	.	.			trans	-60.8	147.9	176.3	0	0	0	0	0	113.5	K467 G468 A469	G465-K467 PolarHBondContact O-N 3.16Å; G465-G468 WeakPolarHBondContact O-CA 3.48Å; G465-G468 PolarHBondContact O-N 3.47Å; G465-A469 PolarHBondContact O-N 3.46Å; G465-A469 VanDerWaalsContact O-N 3.09Å
466	S	88.8	Confident	90.9	Very high	19 Å²	19	63.2 Å²	63.2	13%	0.133	35%	0.351	C	S	.	.	H	α-helix	trans	-41.1	-55.3	-174.7	58.8	0	0	0	0	114.2	G468 A469 V470 E484	S466-G468 VanDerWaalsContact C-N 3.29Å; S466-G468 PolarHBondContact O-N 3.02Å; S466-A469 PolarHBondContact O-N 3.3Å; S466-A469 VanDerWaalsContact O-N 3.16Å; S466-V470 WeakPolarHBondContact O-CG2 3.43Å; S466-V470 PolarHBondContact O-N 3.1Å; S466-E484 PolarHBondContact OG-OE1 3.19Å
467	K	87.5	Confident	90.1	Very high	148 Å²	148	65.9 Å²	65.9	64%	0.643	37%	0.365	S	S	*	.	H	α-helix	trans	-56	-40.3	-179.9	-64.1	-172.5	176.7	-179.5	0	113.2	G465 K471 E484	G465-K467 PolarHBondContact O-N 3.16Å; K467-K471 VanDerWaalsContact O-CB 3.25Å; K467-K471 WeakPolarHBondContact O-CB 3.43Å; K467-K471 PolarHBondContact O-N 3.14Å; K467-E484 WeakPolarHBondContact CE-OE1 3.29Å; K467-E484 WeakPolarHBondContact CE-OE2 3.2Å; K467-E484 VanDerWaalsContact CG-CD 3.42Å; K467-E484 HydrophobicContact CG-CG 4.49Å; K467-E484 WeakPolarHBondContact CG-OE1 3.3Å; K467-E484 WeakPolarHBondContact CG-OE2 3.19Å
468	G	87.7	Confident	89.2	Confident	32 Å²	32	71.5 Å²	71.5	33%	0.33	39%	0.385	S	S	.	.	H	α-helix	trans	-69.5	-47.6	177.4	0	0	0	0	0	111.4	M464 G465 S466 K471 I472	M464-G468 VanDerWaalsContact SD-C 3.54Å; G465-G468 WeakPolarHBondContact O-CA 3.48Å; G465-G468 PolarHBondContact O-N 3.47Å; S466-G468 VanDerWaalsContact C-N 3.29Å; S466-G468 PolarHBondContact O-N 3.02Å; G468-K471 PolarHBondContact O-N 2.84Å; G468-I472 WeakPolarHBondContact O-CG1 3.38Å; G468-I472 PolarHBondContact O-N 3.48Å
469	A	90.4	Very high	88.7	Confident	5 Å²	5	72.3 Å²	72.3	4%	0.041	39%	0.387	C	S	.	.	H	α-helix	trans	-62.6	-49.7	-178.7	0	0	0	0	0	111.9	M464 G465 S466 K471 I472 L473 Y487	M464-A469 HydrophobicContact CG-CB 3.84Å; M464-A469 HydrophobicContact SD-CB 4.35Å; M464-A469 PolarHBondContact SD-N 2.88Å; G465-A469 PolarHBondContact O-N 3.46Å; G465-A469 VanDerWaalsContact O-N 3.09Å; S466-A469 PolarHBondContact O-N 3.3Å; S466-A469 VanDerWaalsContact O-N 3.16Å; A469-K471 PolarHBondContact O-N 3.28Å; A469-I472 PolarHBondContact O-N 3.21Å; A469-I472 VanDerWaalsContact O-N 3.07Å; A469-L473 WeakPolarHBondContact O-CB 3.33Å; A469-L473 WeakPolarHBondContact O-CG 3.49Å; A469-L473 PolarHBondContact O-N 3.15Å; A469-Y487 HydrophobicContact CB-CD1 4.33Å; A469-Y487 HydrophobicContact CB-CD2 4.02Å; A469-Y487 HydrophobicContact CB-CE1 3.78Å; A469-Y487 HydrophobicContact CB-CE2 3.46Å; A469-Y487 VanDerWaalsContact CB-CE2 3.46Å; A469-Y487 HydrophobicContact CB-CG 4.43Å
470	V	91	Very high	88.2	Confident	1 Å²	1	75.6 Å²	75.6	1%	0.006	41%	0.407	C	S	.	.	H	α-helix	trans	-62.9	-41.4	-179.2	168.8	0	0	0	0	111.9	S466 I472 L473 F474 V480 R483 Y487	S466-V470 WeakPolarHBondContact O-CG2 3.43Å; S466-V470 PolarHBondContact O-N 3.1Å; V470-I472 PolarHBondContact O-N 3.31Å; V470-L473 PolarHBondContact O-N 3.25Å; V470-F474 HydrophobicContact CB-CD2 4.39Å; V470-F474 HydrophobicContact CG1-CD2 4Å; V470-F474 HydrophobicContact CG2-CD2 4.38Å; V470-F474 PolarHBondContact O-N 3.23Å; V470-V480 HydrophobicContact CG1-CG1 3.93Å; V470-R483 HydrophobicContact CG1-CB 3.74Å; V470-R483 HydrophobicContact CG2-CB 4.36Å; V470-R483 VanDerWaalsContact CG2-O 3.31Å; V470-R483 WeakPolarHBondContact CG2-O 3.3Å; V470-Y487 HydrophobicContact CG2-CD2 4.44Å; V470-Y487 HydrophobicContact CG2-CG 4.21Å
471	K	89.7	Confident	87.8	Confident	163 Å²	163	77.5 Å²	77.5	71%	0.709	42%	0.424	S	S	*	.	H	α-helix	trans	-62.9	-23.1	175.8	-173.3	174.1	-178.7	178.1	0	113.3	K467 G468 A469 R475	K467-K471 VanDerWaalsContact O-CB 3.25Å; K467-K471 WeakPolarHBondContact O-CB 3.43Å; K467-K471 PolarHBondContact O-N 3.14Å; G468-K471 PolarHBondContact O-N 2.84Å; A469-K471 PolarHBondContact O-N 3.28Å; K471-R475 WeakPolarHBondContact O-CG 3.18Å
472	I	90.4	Very high	87.6	Confident	90 Å²	90	82.7 Å²	82.7	46%	0.462	45%	0.445	S	S	.	.	H	α-helix	trans	-89.5	-45.4	175.4	-66.2	172.5	0	0	0	111.3	M464 G468 A469 V470	M464-I472 HydrophobicContact CE-CD1 3.98Å; M464-I472 HydrophobicContact SD-CD1 3.83Å; G468-I472 WeakPolarHBondContact O-CG1 3.38Å; G468-I472 PolarHBondContact O-N 3.48Å; A469-I472 PolarHBondContact O-N 3.21Å; A469-I472 VanDerWaalsContact O-N 3.07Å; V470-I472 PolarHBondContact O-N 3.31Å
473	L	89.7	Confident	87.4	Confident	113 Å²	113	86 Å²	86	59%	0.592	45%	0.454	S	S	*	.	H	α-helix	trans	-72.2	-39.4	-176.2	-69.2	170.3	0	0	0	113.2	A469 V470 Y487	A469-L473 WeakPolarHBondContact O-CB 3.33Å; A469-L473 WeakPolarHBondContact O-CG 3.49Å; A469-L473 PolarHBondContact O-N 3.15Å; V470-L473 PolarHBondContact O-N 3.25Å; L473-Y487 HydrophobicContact CD1-CD2 4.2Å; L473-Y487 HydrophobicContact CD1-CE2 3.97Å
474	F	88.7	Confident	87.2	Confident	63 Å²	63	83 Å²	83	28%	0.276	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	42.7	-172.3	-57.4	-75.8	0	0	0	111.9	V470 G476 N477 R483	V470-F474 HydrophobicContact CB-CD2 4.39Å; V470-F474 HydrophobicContact CG1-CD2 4Å; V470-F474 HydrophobicContact CG2-CD2 4.38Å; V470-F474 PolarHBondContact O-N 3.23Å; F474-G476 PolarHBondContact O-N 3.09Å; F474-N477 HydrophobicContact CB-CB 3.94Å; F474-N477 WeakPolarHBondContact O-CB 3.2Å; F474-N477 PolarHBondContact O-N 2.87Å; F474-R483 HydrophobicContact CD1-CG 4.22Å; F474-R483 HydrophobicContact CD2-CB 3.78Å; F474-R483 HydrophobicContact CD2-CG 3.95Å; F474-R483 HydrophobicContact CE1-CG 4.39Å; F474-R483 HydrophobicContact CE2-CB 3.94Å; F474-R483 HydrophobicContact CE2-CG 4.12Å; F474-R483 HydrophobicContact CG-CB 4.29Å; F474-R483 HydrophobicContact CG-CG 3.99Å; F474-R483 HydrophobicContact CZ-CG 4.33Å
475	R	82.2	Confident	87.1	Confident	198 Å²	198	85.1 Å²	85.1	75%	0.747	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	123.3	175.5	-73.9	179.6	179.8	-174.3	2.8	110.7	K471	K471-R475 WeakPolarHBondContact O-CG 3.18Å
476	G	80.7	Confident	87.2	Confident	86 Å²	86	87.2 Å²	87.2	89%	0.887	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.6	5.8	180	0	0	0	0	0	115.1	F474	F474-G476 PolarHBondContact O-N 3.09Å
477	N	79.6	Confident	87.3	Confident	57 Å²	57	87.4 Å²	87.4	31%	0.305	44%	0.442	S	S	.	.			trans	-79.3	137.8	169.8	-168.6	-5.8	0	0	0	110.4	F474 D479 V480	F474-N477 HydrophobicContact CB-CB 3.94Å; F474-N477 WeakPolarHBondContact O-CB 3.2Å; F474-N477 PolarHBondContact O-N 2.87Å; N477-D479 PolarHBondContact OD1-N 2.87Å; N477-V480 WeakPolarHBondContact O-CG2 3.49Å
478	E	77.5	Confident	87.4	Confident	193 Å²	193	83 Å²	83	90%	0.902	43%	0.428	S	S	*	.	S	Bend	trans	-76.8	-36.3	178.6	-61.8	-178.6	166.8	0	0	111.9	V480	E478-V480 VanDerWaalsContact C-N 3.31Å; E478-V480 PolarHBondContact O-N 3.24Å; E478-V480 VanDerWaalsContact O-N 3.09Å
479	D	85.5	Confident	87.4	Confident	75 Å²	75	88.8 Å²	88.8	40%	0.401	45%	0.446	S	S	.	.			trans	-90.7	62.3	-176.8	-167	0.7	0	0	0	111.9	N477 S481 K482 R483	N477-D479 PolarHBondContact OD1-N 2.87Å; D479-S481 VanDerWaalsContact C-N 3.31Å; D479-S481 PolarHBondContact O-N 3.07Å; D479-K482 WeakPolarHBondContact OD1-CB 3.24Å; D479-K482 PolarHBondContact OD1-N 2.89Å; D479-K482 VanDerWaalsContact OD2-CB 3.25Å; D479-K482 WeakPolarHBondContact OD2-CB 3.43Å; D479-K482 WeakPolarHBondContact OD2-CD 3.39Å; D479-R483 WeakPolarHBondContact O-CG 3.45Å; D479-R483 PolarHBondContact O-N 3.47Å
480	V	86.3	Confident	87.4	Confident	70 Å²	70	93.1 Å²	93.1	42%	0.424	47%	0.468	S	S	.	.	H	α-helix	trans	-63.8	-36.4	-179.8	179.5	0	0	0	0	111.5	V470 N477 E478 R483 E484	V470-V480 HydrophobicContact CG1-CG1 3.93Å; N477-V480 WeakPolarHBondContact O-CG2 3.49Å; E478-V480 VanDerWaalsContact C-N 3.31Å; E478-V480 PolarHBondContact O-N 3.24Å; E478-V480 VanDerWaalsContact O-N 3.09Å; V480-R483 PolarHBondContact O-N 3.08Å; V480-E484 PolarHBondContact O-N 3.01Å
481	S	87.1	Confident	87.3	Confident	73 Å²	73	97.2 Å²	97.2	51%	0.51	49%	0.486	S	S	.	.	H	α-helix	trans	-64.7	-49.2	-176.1	-161.9	0	0	0	0	111.8	D479 R483 E484 E485	D479-S481 VanDerWaalsContact C-N 3.31Å; D479-S481 PolarHBondContact O-N 3.07Å; S481-R483 VanDerWaalsContact C-N 3.27Å; S481-R483 PolarHBondContact O-N 3.14Å; S481-E484 WeakPolarHBondContact O-CA 3.48Å; S481-E484 WeakPolarHBondContact O-CB 3.5Å; S481-E484 PolarHBondContact O-N 3.08Å; S481-E485 PolarHBondContact O-N 2.87Å
482	K	90.4	Very high	87.2	Confident	129 Å²	129	90.1 Å²	90.1	56%	0.561	46%	0.457	S	S	*	.	H	α-helix	trans	-62.6	-35.2	178.2	-174	178.6	-176.9	174.1	0	112.5	D479 E484 E485 E486	D479-K482 WeakPolarHBondContact OD1-CB 3.24Å; D479-K482 PolarHBondContact OD1-N 2.89Å; D479-K482 VanDerWaalsContact OD2-CB 3.25Å; D479-K482 WeakPolarHBondContact OD2-CB 3.43Å; D479-K482 WeakPolarHBondContact OD2-CD 3.39Å; K482-E484 VanDerWaalsContact C-N 3.33Å; K482-E485 PolarHBondContact O-N 2.78Å; K482-E486 WeakPolarHBondContact O-CB 3.3Å; K482-E486 PolarHBondContact O-N 3.19Å
483	R	89.9	Confident	87.2	Confident	82 Å²	82	87.5 Å²	87.5	31%	0.309	44%	0.444	S	S	.	.	H	α-helix	trans	-70	-29.6	174	-64.9	-55.3	-171.9	173.1	2	112.6	V470 F474 D479 V480 S481 E486 Y487	V470-R483 HydrophobicContact CG1-CB 3.74Å; V470-R483 HydrophobicContact CG2-CB 4.36Å; V470-R483 VanDerWaalsContact CG2-O 3.31Å; V470-R483 WeakPolarHBondContact CG2-O 3.3Å; F474-R483 HydrophobicContact CD1-CG 4.22Å; F474-R483 HydrophobicContact CD2-CB 3.78Å; F474-R483 HydrophobicContact CD2-CG 3.95Å; F474-R483 HydrophobicContact CE1-CG 4.39Å; F474-R483 HydrophobicContact CE2-CB 3.94Å; F474-R483 HydrophobicContact CE2-CG 4.12Å; F474-R483 HydrophobicContact CG-CB 4.29Å; F474-R483 HydrophobicContact CG-CG 3.99Å; F474-R483 HydrophobicContact CZ-CG 4.33Å; D479-R483 WeakPolarHBondContact O-CG 3.45Å; D479-R483 PolarHBondContact O-N 3.47Å; V480-R483 PolarHBondContact O-N 3.08Å; S481-R483 VanDerWaalsContact C-N 3.27Å; S481-R483 PolarHBondContact O-N 3.14Å; R483-E486 WeakPolarHBondContact CD-OE2 3.03Å; R483-E486 IonicContact CZ-OE2 3.58Å; R483-E486 IonicContact NE-OE2 3.73Å; R483-E486 IonicContact NH1-OE1 3.39Å; R483-E486 PolarHBondContact NH1-OE1 2.77Å; R483-E486 IonicContact NH1-OE2 2.68Å; R483-E486 PolarHBondContact NH1-OE2 2.7Å; R483-Y487 WeakPolarHBondContact O-CB 3.23Å; R483-Y487 PolarHBondContact O-N 3.36Å
484	E	88.8	Confident	87.3	Confident	46 Å²	46	82.3 Å²	82.3	22%	0.215	42%	0.417	C	S	.	.	H	α-helix	trans	-68.1	-46.5	171.1	-160	-177.4	159.8	0	0	111.5	S466 K467 V480 S481 K482 E486 Y487 V488	S466-E484 PolarHBondContact OG-OE1 3.19Å; K467-E484 WeakPolarHBondContact CE-OE1 3.29Å; K467-E484 WeakPolarHBondContact CE-OE2 3.2Å; K467-E484 VanDerWaalsContact CG-CD 3.42Å; K467-E484 HydrophobicContact CG-CG 4.49Å; K467-E484 WeakPolarHBondContact CG-OE1 3.3Å; K467-E484 WeakPolarHBondContact CG-OE2 3.19Å; V480-E484 PolarHBondContact O-N 3.01Å; S481-E484 WeakPolarHBondContact O-CA 3.48Å; S481-E484 WeakPolarHBondContact O-CB 3.5Å; S481-E484 PolarHBondContact O-N 3.08Å; K482-E484 VanDerWaalsContact C-N 3.33Å; E484-E486 PolarHBondContact O-N 3.04Å; E484-Y487 PolarHBondContact O-N 2.96Å; E484-V488 WeakPolarHBondContact O-CB 3.3Å; E484-V488 VanDerWaalsContact O-CG2 3.3Å; E484-V488 WeakPolarHBondContact O-CG2 3.3Å; E484-V488 PolarHBondContact O-N 2.9Å
485	E	89.7	Confident	87.6	Confident	115 Å²	115	85.4 Å²	85.4	54%	0.537	43%	0.431	S	S	.	.	H	α-helix	trans	-59.6	-45.9	174.8	-69.6	170.1	-157.4	0	0	112.1	S481 K482 Y487 V488 Q489	S481-E485 PolarHBondContact O-N 2.87Å; K482-E485 PolarHBondContact O-N 2.78Å; E485-Y487 PolarHBondContact O-N 2.75Å; E485-V488 PolarHBondContact O-N 3.45Å; E485-Q489 WeakPolarHBondContact O-CG 3.2Å; E485-Q489 PolarHBondContact O-N 3.11Å
486	E	90.6	Very high	88.1	Confident	74 Å²	74	77.9 Å²	77.9	35%	0.346	41%	0.408	S	S	.	.	H	α-helix	trans	-59.5	-44.9	174.6	-177	-178.2	-160.6	0	0	111.6	K482 R483 E484 Q489 L490	K482-E486 WeakPolarHBondContact O-CB 3.3Å; K482-E486 PolarHBondContact O-N 3.19Å; R483-E486 WeakPolarHBondContact CD-OE2 3.03Å; R483-E486 IonicContact CZ-OE2 3.58Å; R483-E486 IonicContact NE-OE2 3.73Å; R483-E486 IonicContact NH1-OE1 3.39Å; R483-E486 PolarHBondContact NH1-OE1 2.77Å; R483-E486 IonicContact NH1-OE2 2.68Å; R483-E486 PolarHBondContact NH1-OE2 2.7Å; E484-E486 PolarHBondContact O-N 3.04Å; E486-Q489 PolarHBondContact O-N 3.3Å; E486-L490 HydrophobicContact CG-CD1 3.98Å; E486-L490 WeakPolarHBondContact O-CB 3.1Å; E486-L490 VanDerWaalsContact O-CG 3.27Å; E486-L490 WeakPolarHBondContact O-CG 3.38Å; E486-L490 PolarHBondContact O-N 3.21Å
487	Y	90.7	Very high	88.8	Confident	22 Å²	22	74 Å²	74	9%	0.086	37%	0.367	C	S	.	.	H	α-helix	trans	-64.8	-40.1	176.9	-167.3	-83.7	0	0	0	112	A469 V470 L473 R483 E484 E485 L490 F491	A469-Y487 HydrophobicContact CB-CD1 4.33Å; A469-Y487 HydrophobicContact CB-CD2 4.02Å; A469-Y487 HydrophobicContact CB-CE1 3.78Å; A469-Y487 HydrophobicContact CB-CE2 3.46Å; A469-Y487 VanDerWaalsContact CB-CE2 3.46Å; A469-Y487 HydrophobicContact CB-CG 4.43Å; V470-Y487 HydrophobicContact CG2-CD2 4.44Å; V470-Y487 HydrophobicContact CG2-CG 4.21Å; L473-Y487 HydrophobicContact CD1-CD2 4.2Å; L473-Y487 HydrophobicContact CD1-CE2 3.97Å; R483-Y487 WeakPolarHBondContact O-CB 3.23Å; R483-Y487 PolarHBondContact O-N 3.36Å; E484-Y487 PolarHBondContact O-N 2.96Å; E485-Y487 PolarHBondContact O-N 2.75Å; Y487-L490 PolarHBondContact O-N 3.48Å; Y487-F491 HydrophobicContact CD1-CB 4.2Å; Y487-F491 HydrophobicContact CD1-CD2 4.28Å; Y487-F491 AromaticContact CD2-CD2 3.63Å; Y487-F491 HydrophobicContact CD2-CD2 3.63Å; Y487-F491 HydrophobicContact CD2-CE2 4.13Å; Y487-F491 HydrophobicContact CE1-CB 3.82Å; Y487-F491 HydrophobicContact CE1-CD2 4.22Å; Y487-F491 HydrophobicContact CE1-CG 4.41Å; Y487-F491 AromaticContact CE2-CD2 3.53Å; Y487-F491 HydrophobicContact CE2-CD2 3.53Å; Y487-F491 HydrophobicContact CE2-CE2 4.04Å; Y487-F491 HydrophobicContact CE2-CG 4.28Å; Y487-F491 HydrophobicContact CG-CD2 4.01Å; Y487-F491 AromaticContact CZ-CD2 3.84Å; Y487-F491 WeakPolarHBondContact O-CB 3.34Å; Y487-F491 PolarHBondContact O-N 3.07Å
488	V	88.1	Confident	89.6	Confident	57 Å²	57	72.6 Å²	72.6	35%	0.345	36%	0.364	S	S	.	.	H	α-helix	trans	-63.9	-47.3	178.3	165.4	0	0	0	0	110.7	E484 E485 L490 S492	E484-V488 WeakPolarHBondContact O-CB 3.3Å; E484-V488 VanDerWaalsContact O-CG2 3.3Å; E484-V488 WeakPolarHBondContact O-CG2 3.3Å; E484-V488 PolarHBondContact O-N 2.9Å; E485-V488 PolarHBondContact O-N 3.45Å; V488-L490 VanDerWaalsContact C-N 3.31Å; V488-L490 PolarHBondContact O-N 3.21Å; V488-S492 WeakPolarHBondContact O-CB 3.5Å; V488-S492 PolarHBondContact O-N 3.2Å
489	Q	88.6	Confident	90.5	Very high	152 Å²	152	69.8 Å²	69.8	71%	0.71	35%	0.354	S	S	*	.	H	α-helix	trans	-62.4	-35.6	177.1	-71.4	178.4	9.7	0	0	112.9	E485 E486 N493	E485-Q489 WeakPolarHBondContact O-CG 3.2Å; E485-Q489 PolarHBondContact O-N 3.11Å; E486-Q489 PolarHBondContact O-N 3.3Å; Q489-N493 PolarHBondContact O-ND2 3.2Å
490	L	90	Very high	90.9	Very high	96 Å²	96	74.8 Å²	74.8	50%	0.503	37%	0.367	S	S	.	.	H	α-helix	trans	-84.2	-32.7	-178.9	-69.5	173.7	0	0	0	114.2	E486 Y487 V488 P496	E486-L490 HydrophobicContact CG-CD1 3.98Å; E486-L490 WeakPolarHBondContact O-CB 3.1Å; E486-L490 VanDerWaalsContact O-CG 3.27Å; E486-L490 WeakPolarHBondContact O-CG 3.38Å; E486-L490 PolarHBondContact O-N 3.21Å; Y487-L490 PolarHBondContact O-N 3.48Å; V488-L490 VanDerWaalsContact C-N 3.31Å; V488-L490 PolarHBondContact O-N 3.21Å; L490-P496 WeakPolarHBondContact O-CG 3.48Å
491	F	90.2	Very high	91.4	Very high	87 Å²	87	73.4 Å²	73.4	38%	0.382	37%	0.367	S	S	.	.	H	α-helix	trans	-134	-23.5	-166.3	-57.3	-68	0	0	0	116.3	Y487 N493	Y487-F491 HydrophobicContact CD1-CB 4.2Å; Y487-F491 HydrophobicContact CD1-CD2 4.28Å; Y487-F491 AromaticContact CD2-CD2 3.63Å; Y487-F491 HydrophobicContact CD2-CD2 3.63Å; Y487-F491 HydrophobicContact CD2-CE2 4.13Å; Y487-F491 HydrophobicContact CE1-CB 3.82Å; Y487-F491 HydrophobicContact CE1-CD2 4.22Å; Y487-F491 HydrophobicContact CE1-CG 4.41Å; Y487-F491 AromaticContact CE2-CD2 3.53Å; Y487-F491 HydrophobicContact CE2-CD2 3.53Å; Y487-F491 HydrophobicContact CE2-CE2 4.04Å; Y487-F491 HydrophobicContact CE2-CG 4.28Å; Y487-F491 HydrophobicContact CG-CD2 4.01Å; Y487-F491 AromaticContact CZ-CD2 3.84Å; Y487-F491 WeakPolarHBondContact O-CB 3.34Å; Y487-F491 PolarHBondContact O-N 3.07Å; F491-N493 PolarHBondContact O-N 3.42Å
492	S	86.6	Confident	91.9	Very high	15 Å²	15	74.8 Å²	74.8	11%	0.105	36%	0.361	C	S	.	.	S	Bend	trans	-85.6	53.3	175	-82.4	0	0	0	0	111.7	E460 V488	E460-S492 WeakPolarHBondContact OE2-CB 3.49Å; E460-S492 PolarHBondContact OE2-OG 2.77Å; V488-S492 WeakPolarHBondContact O-CB 3.5Å; V488-S492 PolarHBondContact O-N 3.2Å
493	N	90.9	Very high	92.3	Very high	35 Å²	35	68.8 Å²	68.8	19%	0.187	34%	0.336	C	S	.	.	S	Bend	trans	-160.2	170.7	175.8	67.7	82.9	0	0	0	109	A459 Q489 F491 F495 P496	A459-N493 CarbonylContact O-C 3.15Å; A459-N493 VanDerWaalsContact O-CA 3.29Å; A459-N493 WeakPolarHBondContact O-CA 3.27Å; Q489-N493 PolarHBondContact O-ND2 3.2Å; F491-N493 PolarHBondContact O-N 3.42Å; N493-F495 WeakPolarHBondContact OD1-CB 3.28Å; N493-F495 PolarHBondContact OD1-N 3.24Å; N493-P496 WeakPolarHBondContact O-CD 3.1Å; N493-P496 VanDerWaalsContact OD1-CD 3.28Å; N493-P496 WeakPolarHBondContact OD1-CD 3.29Å
494	P	92	Very high	92.6	Very high	4 Å²	4	68.9 Å²	68.9	3%	0.026	34%	0.342	C	S	.	.	S	Bend	trans	-84.1	-16.3	-171.7	28.4	-29.7	0	0	0	114.9	C455 A459 A497 A498 I506	C455-P494 WeakPolarHBondContact SG-CB 3.26Å; A459-P494 HydrophobicContact CB-CB 4.29Å; A459-P494 WeakPolarHBondContact O-CD 3.45Å; A459-P494 VanDerWaalsContact O-N 3.14Å; P494-A497 PolarHBondContact O-N 3.07Å; P494-A497 VanDerWaalsContact O-N 3.15Å; P494-A498 PolarHBondContact O-N 3.27Å; P494-I506 HydrophobicContact CB-CD1 4.19Å; P494-I506 HydrophobicContact CB-CG1 4.26Å; P494-I506 HydrophobicContact CG-CD1 3.97Å; P494-I506 HydrophobicContact CG-CG1 4.29Å; P494-I506 HydrophobicContact CG-CG2 4.16Å
495	F	94.6	Very high	93.1	Very high	127 Å²	127	69.9 Å²	69.9	56%	0.557	35%	0.349	S	S	*	.	H	α-helix	trans	-58.1	-41.5	-172.9	-72.7	-76.6	0	0	0	114.5	N493 A497 A498 I499 I506	N493-F495 WeakPolarHBondContact OD1-CB 3.28Å; N493-F495 PolarHBondContact OD1-N 3.24Å; F495-A497 PolarHBondContact O-N 3.36Å; F495-A498 PolarHBondContact O-N 3.2Å; F495-I499 HydrophobicContact CB-CD1 4.29Å; F495-I499 WeakPolarHBondContact O-CB 3.27Å; F495-I499 VanDerWaalsContact O-CG1 3.26Å; F495-I499 WeakPolarHBondContact O-CG1 3.34Å; F495-I499 PolarHBondContact O-N 3.36Å; F495-I506 HydrophobicContact CD1-CD1 4.01Å; F495-I506 HydrophobicContact CE1-CD1 3.98Å; F495-I506 HydrophobicContact CG-CD1 4.47Å; F495-I506 HydrophobicContact CZ-CD1 4.42Å
496	P	93.4	Very high	93.5	Very high	40 Å²	40	66.7 Å²	66.7	26%	0.26	34%	0.335	S	S	.	.	H	α-helix	trans	-58.4	-33.8	177.5	-27.1	35.6	0	0	0	114	L490 N493 R500	L490-P496 WeakPolarHBondContact O-CG 3.48Å; N493-P496 WeakPolarHBondContact O-CD 3.1Å; N493-P496 VanDerWaalsContact OD1-CD 3.28Å; N493-P496 WeakPolarHBondContact OD1-CD 3.29Å; P496-R500 WeakPolarHBondContact O-CG 3.37Å
497	A	95.2	Very high	93.8	Very high	5 Å²	5	63.3 Å²	63.3	4%	0.041	32%	0.319	C	S	.	.	H	α-helix	trans	-80.8	-39.7	177.4	0	0	0	0	0	111.7	V461 P494 F495 R500 G501 Y502 I503	V461-A497 HydrophobicContact CB-CB 4.07Å; V461-A497 HydrophobicContact CG1-CB 3.91Å; V461-A497 HydrophobicContact CG2-CB 4.43Å; P494-A497 PolarHBondContact O-N 3.07Å; P494-A497 VanDerWaalsContact O-N 3.15Å; F495-A497 PolarHBondContact O-N 3.36Å; A497-R500 PolarHBondContact O-N 3.01Å; A497-G501 PolarHBondContact O-N 3.31Å; A497-Y502 WeakPolarHBondContact O-CB 3.14Å; A497-Y502 PolarHBondContact O-N 3.35Å; A497-I503 HydrophobicContact CB-CG1 3.81Å
498	A	95.6	Very high	94.2	Very high	28 Å²	28	66.4 Å²	66.4	23%	0.231	34%	0.335	C	S	.	.	H	α-helix	trans	-65.1	-44.5	177.6	0	0	0	0	0	112.5	P494 F495 R500 G501 I503 I506	P494-A498 PolarHBondContact O-N 3.27Å; F495-A498 PolarHBondContact O-N 3.2Å; A498-R500 PolarHBondContact O-N 3.22Å; A498-R500 VanDerWaalsContact O-N 3.14Å; A498-G501 PolarHBondContact O-N 2.78Å; A498-I503 HydrophobicContact CB-CB 4.47Å; A498-I506 HydrophobicContact CB-CD1 3.97Å; A498-I506 HydrophobicContact CB-CG1 4.21Å
499	I	95.5	Very high	94.7	Very high	134 Å²	134	64.3 Å²	64.3	69%	0.687	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-23.8	177.6	-68.2	166.5	0	0	0	112	F495	F495-I499 HydrophobicContact CB-CD1 4.29Å; F495-I499 WeakPolarHBondContact O-CB 3.27Å; F495-I499 VanDerWaalsContact O-CG1 3.26Å; F495-I499 WeakPolarHBondContact O-CG1 3.34Å; F495-I499 PolarHBondContact O-N 3.36Å
500	R	95.8	Very high	95.1	Very high	180 Å²	180	61.9 Å²	61.9	68%	0.679	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-2.2	175	-61.3	-65.7	-177.6	-165.2	-0.5	113.7	P496 A497 A498 Y502	P496-R500 WeakPolarHBondContact O-CG 3.37Å; A497-R500 PolarHBondContact O-N 3.01Å; A498-R500 PolarHBondContact O-N 3.22Å; A498-R500 VanDerWaalsContact O-N 3.14Å; R500-Y502 VanDerWaalsContact C-N 3.26Å; R500-Y502 HydrophobicContact CB-CD1 3.82Å; R500-Y502 HydrophobicContact CB-CD2 3.95Å; R500-Y502 HydrophobicContact CB-CE1 3.7Å; R500-Y502 HydrophobicContact CB-CE2 3.85Å; R500-Y502 HydrophobicContact CB-CG 3.95Å; R500-Y502 HydrophobicContact CG-CE2 4.31Å; R500-Y502 VanDerWaalsContact O-CD1 3.32Å; R500-Y502 WeakPolarHBondContact O-CD1 3.24Å; R500-Y502 WeakPolarHBondContact O-CE1 3.38Å; R500-Y502 PolarHBondContact O-N 3.42Å
501	G	96.4	Very high	95.5	Very high	41 Å²	41	58.2 Å²	58.2	42%	0.423	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.6	19.7	-174.9	0	0	0	0	0	113.8	K446 A497 A498 I503	K446-G501 VanDerWaalsContact CD-O 3.24Å; K446-G501 WeakPolarHBondContact CD-O 3.42Å; K446-G501 WeakPolarHBondContact CE-O 3.37Å; A497-G501 PolarHBondContact O-N 3.31Å; A498-G501 PolarHBondContact O-N 2.78Å; G501-I503 VanDerWaalsContact C-N 3.33Å
502	Y	97.2	Very high	95.9	Very high	101 Å²	101	54.1 Å²	54.1	40%	0.396	27%	0.27	S	S	.	.	S	Bend	trans	-82.2	-19.6	177.6	-57.6	-11.3	0	0	0	111.9	K446 H447 A497 R500	K446-Y502 WeakPolarHBondContact CE-O 3.44Å; H447-Y502 AromaticContact CE1-CD1 3.61Å; H447-Y502 AromaticContact CE1-CE1 3.73Å; H447-Y502 AromaticContact CE1-CG 3.84Å; H447-Y502 AromaticContact NE2-CD2 3.83Å; H447-Y502 AromaticContact NE2-CG 3.83Å; A497-Y502 WeakPolarHBondContact O-CB 3.14Å; A497-Y502 PolarHBondContact O-N 3.35Å; R500-Y502 VanDerWaalsContact C-N 3.26Å; R500-Y502 HydrophobicContact CB-CD1 3.82Å; R500-Y502 HydrophobicContact CB-CD2 3.95Å; R500-Y502 HydrophobicContact CB-CE1 3.7Å; R500-Y502 HydrophobicContact CB-CE2 3.85Å; R500-Y502 HydrophobicContact CB-CG 3.95Å; R500-Y502 HydrophobicContact CG-CE2 4.31Å; R500-Y502 VanDerWaalsContact O-CD1 3.32Å; R500-Y502 WeakPolarHBondContact O-CD1 3.24Å; R500-Y502 WeakPolarHBondContact O-CE1 3.38Å; R500-Y502 PolarHBondContact O-N 3.42Å
503	I	97.6	Very high	96.5	Very high	4 Å²	4	53.4 Å²	53.4	2%	0.021	27%	0.265	C	S	.	.	S	Bend	trans	-120.6	137.7	169.8	-59	-59.7	0	0	0	106.3	I431 N453 C455 A497 A498 G501 D505	I431-I503 HydrophobicContact CD1-CD1 3.73Å; N453-I503 HydrophobicContact CB-CD1 4.29Å; N453-I503 CarbonylContact O-C 3.48Å; N453-I503 WeakPolarHBondContact O-CA 3.34Å; N453-I503 VanDerWaalsContact O-CG2 3.3Å; N453-I503 WeakPolarHBondContact O-CG2 3.21Å; C455-I503 HydrophobicContact CB-CG2 4.26Å; A497-I503 HydrophobicContact CB-CG1 3.81Å; A498-I503 HydrophobicContact CB-CB 4.47Å; G501-I503 VanDerWaalsContact C-N 3.33Å; I503-D505 WeakPolarHBondContact CG2-O 3.4Å
504	D	97.9	Very high	96.8	Very high	84 Å²	84	54.6 Å²	54.6	45%	0.449	27%	0.267	S	S	.	.	S	Bend	trans	-84.2	-36.7	-176.7	-56.3	-70.2	0	0	0	113	K446 V452 N453	K446-D504 VanDerWaalsContact CE-OD1 3.28Å; K446-D504 WeakPolarHBondContact CE-OD1 3.48Å; K446-D504 WeakPolarHBondContact CE-OD2 3.26Å; K446-D504 IonicContact NZ-OD1 2.75Å; K446-D504 PolarHBondContact NZ-OD1 2.78Å; K446-D504 IonicContact NZ-OD2 2.79Å; K446-D504 PolarHBondContact NZ-OD2 2.84Å; V452-D504 WeakPolarHBondContact CA-OD2 3.47Å; N453-D504 PolarHBondContact N-OD2 3.17Å; N453-D504 PolarHBondContact O-N 2.92Å
505	D	98	Very high	97.1	Very high	66 Å²	66	58.7 Å²	58.7	35%	0.353	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	151.1	177	-164.6	10.8	0	0	0	111.2	Y454 C455 I503 I507 R515	Y454-D505 HydrophobicContact CD1-CB 3.86Å; Y454-D505 HydrophobicContact CE1-CB 3.83Å; C455-D505 PolarHBondContact N-O 3.22Å; I503-D505 WeakPolarHBondContact CG2-O 3.4Å; D505-I507 HydrophobicContact CB-CG2 3.99Å; D505-R515 IonicContact OD2-CZ 3.54Å; D505-R515 IonicContact OD2-NH2 2.74Å; D505-R515 PolarHBondContact OD2-NH2 2.87Å
506	I	98.1	Very high	97.3	Very high	49 Å²	49	52.6 Å²	52.6	25%	0.251	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	103.3	172.3	-56.3	167	0	0	0	106.6	C455 P494 F495 A498	C455-I506 CarbonylContact O-C 3.28Å; C455-I506 WeakPolarHBondContact O-CA 3.41Å; P494-I506 HydrophobicContact CB-CD1 4.19Å; P494-I506 HydrophobicContact CB-CG1 4.26Å; P494-I506 HydrophobicContact CG-CD1 3.97Å; P494-I506 HydrophobicContact CG-CG1 4.29Å; P494-I506 HydrophobicContact CG-CG2 4.16Å; F495-I506 HydrophobicContact CD1-CD1 4.01Å; F495-I506 HydrophobicContact CE1-CD1 3.98Å; F495-I506 HydrophobicContact CG-CD1 4.47Å; F495-I506 HydrophobicContact CZ-CD1 4.42Å; A498-I506 HydrophobicContact CB-CD1 3.97Å; A498-I506 HydrophobicContact CB-CG1 4.21Å
507	I	98.1	Very high	97.5	Very high	3 Å²	3	51 Å²	51	2%	0.015	25%	0.245	C	C	.	.			trans	-101.9	145.3	-167.2	66.4	172.3	0	0	0	113	Y454 C455 P457 D505 T512 R515	Y454-I507 HydrophobicContact CD1-CD1 4.3Å; Y454-I507 HydrophobicContact CD1-CG2 3.53Å; Y454-I507 HydrophobicContact CD2-CD1 4.2Å; Y454-I507 HydrophobicContact CE1-CG2 3.86Å; Y454-I507 HydrophobicContact CG-CD1 3.89Å; Y454-I507 HydrophobicContact CG-CG1 4.44Å; Y454-I507 HydrophobicContact CG-CG2 4.21Å; C455-I507 PolarHBondContact O-N 2.61Å; P457-I507 WeakPolarHBondContact CD-O 3.47Å; D505-I507 HydrophobicContact CB-CG2 3.99Å; I507-T512 HydrophobicContact CD1-CG2 4.45Å; I507-R515 HydrophobicContact CD1-CB 4.4Å; I507-R515 HydrophobicContact CD1-CG 4.09Å; I507-R515 HydrophobicContact CG2-CG 4.4Å
508	E	97.9	Very high	97.6	Very high	87 Å²	87	56.9 Å²	56.9	41%	0.407	27%	0.266	S	S	.	.			trans	-57.3	124	165.6	-86.1	-64.5	144.5	0	0	110.6	Q304 R510 T511	Q304-E508 PolarHBondContact NE2-OE2 3.21Å; E508-R510 VanDerWaalsContact C-N 3.26Å; E508-R510 HydrophobicContact CB-CG 4.36Å; E508-R510 PolarHBondContact O-N 3.07Å; E508-R510 VanDerWaalsContact O-N 3.11Å; E508-T511 HydrophobicContact CB-CG2 3.91Å; E508-T511 PolarHBondContact O-N 2.84Å; E508-T511 PolarHBondContact O-OG1 2.73Å
509	P	98.4	Very high	97.8	Very high	12 Å²	12	56.8 Å²	56.8	8%	0.078	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-52.6	-40.4	-173.3	-30.4	35.1	0	0	0	114.2	L303 Q304 W456 T511 T512	L303-P509 HydrophobicContact CB-CB 3.95Å; L303-P509 WeakPolarHBondContact CD1-O 3.18Å; L303-P509 WeakPolarHBondContact O-CB 3.49Å; Q304-P509 HydrophobicContact CG-CB 4.38Å; W456-P509 HydrophobicContact CB-CG 4.12Å; W456-P509 HydrophobicContact CD2-CB 3.76Å; W456-P509 HydrophobicContact CD2-CG 3.83Å; W456-P509 HydrophobicContact CE3-CB 4.11Å; W456-P509 HydrophobicContact CE3-CG 4.19Å; W456-P509 HydrophobicContact CG-CB 4.14Å; W456-P509 HydrophobicContact CG-CG 3.8Å; W456-P509 HydrophobicContact CH2-CB 4.42Å; W456-P509 HydrophobicContact CZ2-CB 4.08Å; W456-P509 HydrophobicContact CZ3-CB 4.43Å; P509-T511 PolarHBondContact O-N 3.37Å; P509-T511 VanDerWaalsContact O-N 3.14Å; P509-T512 VanDerWaalsContact O-CB 3.31Å; P509-T512 WeakPolarHBondContact O-CB 3.48Å; P509-T512 PolarHBondContact O-N 3.31Å; P509-T512 PolarHBondContact O-OG1 3.44Å
510	R	98.2	Very high	97.9	Very high	102 Å²	102	51.3 Å²	51.3	39%	0.385	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-58.7	-25	176.7	62.5	175.8	175.4	178.8	1.4	114.4	D299 V300 Q304 E508 T512	D299-R510 CarbonylContact C-O 3.49Å; D299-R510 WeakPolarHBondContact CA-O 3.37Å; D299-R510 HydrophobicContact CB-CB 4.43Å; D299-R510 IonicContact OD2-NE 2.85Å; V300-R510 PolarHBondContact N-O 2.84Å; V300-R510 WeakPolarHBondContact O-CA 3.42Å; V300-R510 WeakPolarHBondContact O-CB 3.42Å; Q304-R510 HydrophobicContact CG-CB 4.1Å; Q304-R510 HydrophobicContact CG-CG 4.25Å; E508-R510 VanDerWaalsContact C-N 3.26Å; E508-R510 HydrophobicContact CB-CG 4.36Å; E508-R510 PolarHBondContact O-N 3.07Å; E508-R510 VanDerWaalsContact O-N 3.11Å; R510-T512 VanDerWaalsContact C-N 3.34Å
511	T	98.2	Very high	98	Very high	19 Å²	19	47.1 Å²	47.1	12%	0.117	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-86.8	-5.5	-176.5	69	0	0	0	0	113.5	E508 P509 R513 R514 R515	E508-T511 HydrophobicContact CB-CG2 3.91Å; E508-T511 PolarHBondContact O-N 2.84Å; E508-T511 PolarHBondContact O-OG1 2.73Å; P509-T511 PolarHBondContact O-N 3.37Å; P509-T511 VanDerWaalsContact O-N 3.14Å; T511-R513 PolarHBondContact O-N 3.3Å; T511-R514 PolarHBondContact O-N 2.98Å; T511-R515 WeakPolarHBondContact O-CG 3.27Å; T511-R515 PolarHBondContact O-N 3.13Å; T511-R515 VanDerWaalsContact O-N 3.1Å
512	T	98.6	Very high	98	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-54.2	-45.2	-170	-57.6	0	0	0	0	113.3	L324 V430 W456 I507 P509 R510 R515 I516	L324-T512 HydrophobicContact CD1-CG2 4.16Å; L324-T512 HydrophobicContact CD2-CG2 3.72Å; V430-T512 HydrophobicContact CG1-CG2 4.17Å; V430-T512 HydrophobicContact CG2-CG2 3.99Å; W456-T512 PolarHBondContact NE1-OG1 2.78Å; I507-T512 HydrophobicContact CD1-CG2 4.45Å; P509-T512 VanDerWaalsContact O-CB 3.31Å; P509-T512 WeakPolarHBondContact O-CB 3.48Å; P509-T512 PolarHBondContact O-N 3.31Å; P509-T512 PolarHBondContact O-OG1 3.44Å; R510-T512 VanDerWaalsContact C-N 3.34Å; T512-R515 PolarHBondContact O-N 3.04Å; T512-I516 HydrophobicContact CG2-CD1 3.72Å; T512-I516 HydrophobicContact CG2-CG1 4.37Å; T512-I516 WeakPolarHBondContact O-CG1 3.39Å; T512-I516 PolarHBondContact O-N 2.9Å
513	R	98.4	Very high	98	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-57.1	-53.7	177.3	176.7	170.2	167.7	80.5	1.6	111.7	D294 P295 R298 V300 L324 D326 M348 T511 R515 I516 C517	D294-R513 PolarHBondContact O-NH2 3.2Å; D294-R513 IonicContact OD1-CZ 3.82Å; D294-R513 VanDerWaalsContact OD1-CZ 3.25Å; D294-R513 IonicContact OD1-NE 2.99Å; D294-R513 PolarHBondContact OD1-NE 3.5Å; D294-R513 IonicContact OD1-NH2 2.75Å; D294-R513 PolarHBondContact OD1-NH2 2.93Å; D294-R513 IonicContact OD2-CZ 3.83Å; D294-R513 IonicContact OD2-NH2 2.87Å; P295-R513 PolarHBondContact O-NE 3.5Å; P295-R513 PolarHBondContact O-NH2 2.84Å; R298-R513 VanDerWaalsContact CZ-CD 3.45Å; V300-R513 HydrophobicContact CG2-CB 3.88Å; L324-R513 HydrophobicContact CD2-CB 3.97Å; L324-R513 WeakPolarHBondContact O-CD 3.49Å; L324-R513 PolarHBondContact O-NH1 2.94Å; D326-R513 IonicContact OD1-CZ 2.8Å; D326-R513 IonicContact OD1-NH1 3.88Å; D326-R513 PolarHBondContact OD1-NH1 3.08Å; D326-R513 IonicContact OD1-NH2 3.32Å; D326-R513 PolarHBondContact OD1-NH2 2.91Å; M348-R513 HydrophobicContact CE-CB 4.39Å; M348-R513 HydrophobicContact CE-CG 3.91Å; T511-R513 PolarHBondContact O-N 3.3Å; R513-R515 VanDerWaalsContact C-N 3.28Å; R513-R515 PolarHBondContact O-N 3.36Å; R513-I516 PolarHBondContact O-N 3.07Å; R513-C517 WeakPolarHBondContact O-CB 3.48Å; R513-C517 PolarHBondContact O-N 3.16Å; R513-C517 PolarHBondContact O-SG 3.49Å; R513-C517 VanDerWaalsContact O-SG 3.34Å
514	R	97.8	Very high	98	Very high	61 Å²	61	51 Å²	51	23%	0.23	24%	0.244	C	C	.	.	H	α-helix	trans	-56.2	-39.8	177.9	-175.6	-171.9	-59.3	129.1	11.2	112.5	W296 D297 D299 T511 R518	W296-R514 HydrophobicContact CE3-CG 4.5Å; W296-R514 HydrophobicContact CZ3-CG 3.95Å; D297-R514 HydrophobicContact CB-CG 3.92Å; D297-R514 PolarHBondContact O-NE 3.39Å; D297-R514 PolarHBondContact O-NH2 3.39Å; D299-R514 IonicContact OD1-CZ 3.7Å; D299-R514 IonicContact OD1-NH1 3.06Å; D299-R514 PolarHBondContact OD1-NH1 2.87Å; D299-R514 IonicContact OD1-NH2 3.54Å; D299-R514 PolarHBondContact OD1-NH2 3.43Å; D299-R514 IonicContact OD2-NH2 2.72Å; T511-R514 PolarHBondContact O-N 2.98Å; R514-R518 WeakPolarHBondContact O-CG 3.36Å; R514-R518 PolarHBondContact O-N 3.28Å
515	R	98.2	Very high	97.8	Very high	89 Å²	89	51.2 Å²	51.2	34%	0.336	25%	0.253	S	S	.	.	H	α-helix	trans	-63.8	-56.8	177.9	-65.1	-64.3	-174.2	159.8	12.1	110.7	Y454 D505 I507 T511 T512 R513 C517 R518 D519	Y454-R515 HydrophobicContact CD2-CB 4.49Å; Y454-R515 HydrophobicContact CE2-CB 3.79Å; D505-R515 IonicContact OD2-CZ 3.54Å; D505-R515 IonicContact OD2-NH2 2.74Å; D505-R515 PolarHBondContact OD2-NH2 2.87Å; I507-R515 HydrophobicContact CD1-CB 4.4Å; I507-R515 HydrophobicContact CD1-CG 4.09Å; I507-R515 HydrophobicContact CG2-CG 4.4Å; T511-R515 WeakPolarHBondContact O-CG 3.27Å; T511-R515 PolarHBondContact O-N 3.13Å; T511-R515 VanDerWaalsContact O-N 3.1Å; T512-R515 PolarHBondContact O-N 3.04Å; R513-R515 VanDerWaalsContact C-N 3.28Å; R513-R515 PolarHBondContact O-N 3.36Å; R515-C517 VanDerWaalsContact C-N 3.34Å; R515-C517 PolarHBondContact O-N 3.09Å; R515-R518 PolarHBondContact O-N 3.03Å; R515-R518 VanDerWaalsContact O-N 3.11Å; R515-D519 PolarHBondContact O-N 3.48Å; R515-D519 VanDerWaalsContact O-N 3.08Å
516	I	98.5	Very high	97.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-56.3	-46.3	179.7	-61.8	167.3	0	0	0	111.2	L324 M348 I390 V428 V430 T512 R513 R518 D519 L520	L324-I516 HydrophobicContact CD1-CD1 4.42Å; M348-I516 HydrophobicContact CE-CB 3.9Å; M348-I516 HydrophobicContact CE-CD1 4.44Å; M348-I516 HydrophobicContact CE-CG2 3.86Å; M348-I516 HydrophobicContact SD-CB 4.25Å; M348-I516 HydrophobicContact SD-CG2 3.55Å; M348-I516 VanDerWaalsContact SD-CG2 3.55Å; I390-I516 HydrophobicContact CD1-CG2 3.8Å; I390-I516 HydrophobicContact CG1-CG2 4.05Å; I390-I516 HydrophobicContact CG2-CD1 4.12Å; V428-I516 HydrophobicContact CG1-CG1 4.01Å; V430-I516 HydrophobicContact CG2-CD1 4.15Å; V430-I516 HydrophobicContact CG2-CG1 4.43Å; T512-I516 HydrophobicContact CG2-CD1 3.72Å; T512-I516 HydrophobicContact CG2-CG1 4.37Å; T512-I516 WeakPolarHBondContact O-CG1 3.39Å; T512-I516 PolarHBondContact O-N 2.9Å; R513-I516 PolarHBondContact O-N 3.07Å; I516-R518 VanDerWaalsContact C-N 3.33Å; I516-R518 PolarHBondContact O-N 3.43Å; I516-D519 PolarHBondContact O-N 2.95Å; I516-L520 HydrophobicContact CG2-CD1 3.66Å; I516-L520 HydrophobicContact CG2-CG 4Å; I516-L520 WeakPolarHBondContact O-CB 3.47Å; I516-L520 VanDerWaalsContact O-CG 3.3Å; I516-L520 WeakPolarHBondContact O-CG 2.98Å; I516-L520 PolarHBondContact O-N 3.28Å
517	C	98.2	Very high	97.7	Very high	6 Å²	6	57.6 Å²	57.6	4%	0.041	28%	0.275	C	S	.	.	H	α-helix	trans	-57	-42	177.8	-73	0	0	0	0	113.2	W296 R513 R515 E521	W296-C517 HydrophobicContact CB-CB 4.09Å; W296-C517 HydrophobicContact CE3-CB 3.95Å; W296-C517 WeakPolarHBondContact O-CB 3.32Å; W296-C517 PolarHBondContact O-SG 3.28Å; R513-C517 WeakPolarHBondContact O-CB 3.48Å; R513-C517 PolarHBondContact O-N 3.16Å; R513-C517 PolarHBondContact O-SG 3.49Å; R513-C517 VanDerWaalsContact O-SG 3.34Å; R515-C517 VanDerWaalsContact C-N 3.34Å; R515-C517 PolarHBondContact O-N 3.09Å; C517-E521 PolarHBondContact O-N 2.86Å; C517-E521 VanDerWaalsContact O-N 3.16Å
518	R	97.6	Very high	97.6	Very high	129 Å²	129	60.4 Å²	60.4	49%	0.487	29%	0.288	S	S	.	.	H	α-helix	trans	-67.2	-43.8	178.3	-73.9	177	177.6	-170.5	1.1	112	W296 R514 R515 I516 E521 L522	W296-R518 HydrophobicContact CE3-CG 4.33Å; W296-R518 HydrophobicContact CH2-CG 4.17Å; W296-R518 HydrophobicContact CZ3-CG 3.51Å; R514-R518 WeakPolarHBondContact O-CG 3.36Å; R514-R518 PolarHBondContact O-N 3.28Å; R515-R518 PolarHBondContact O-N 3.03Å; R515-R518 VanDerWaalsContact O-N 3.11Å; I516-R518 VanDerWaalsContact C-N 3.33Å; I516-R518 PolarHBondContact O-N 3.43Å; R518-E521 PolarHBondContact O-N 3.38Å; R518-L522 PolarHBondContact O-N 2.58Å; R518-L522 VanDerWaalsContact O-N 3.09Å
519	D	98.3	Very high	97.4	Very high	25 Å²	25	62.3 Å²	62.3	13%	0.134	31%	0.306	C	S	.	.	H	α-helix	trans	-70.9	-38.7	-177.5	-59.9	-35.7	0	0	0	111.2	V428 V452 Y454 R515 I516 E521 L522 L523	V428-D519 HydrophobicContact CG2-CB 4.29Å; V452-D519 HydrophobicContact CG2-CB 4.13Å; Y454-D519 WeakPolarHBondContact CE2-OD2 3.3Å; Y454-D519 PolarHBondContact OH-OD2 3.25Å; R515-D519 PolarHBondContact O-N 3.48Å; R515-D519 VanDerWaalsContact O-N 3.08Å; I516-D519 PolarHBondContact O-N 2.95Å; D519-E521 VanDerWaalsContact C-N 3.31Å; D519-E521 PolarHBondContact O-N 3.49Å; D519-L522 PolarHBondContact O-N 2.87Å; D519-L523 WeakPolarHBondContact O-CB 3.38Å; D519-L523 WeakPolarHBondContact O-CD1 3.25Å; D519-L523 WeakPolarHBondContact O-CG 3.14Å; D519-L523 PolarHBondContact O-N 3.29Å
520	L	98.1	Very high	97.4	Very high	19 Å²	19	64.7 Å²	64.7	10%	0.099	32%	0.318	C	S	.	.	H	α-helix	trans	-63.9	-34.1	173.3	-71.1	-179.6	0	0	0	112.7	M348 V353 P388 I390 P426 V428 I516 S524	M348-L520 HydrophobicContact CB-CD1 4.46Å; V353-L520 HydrophobicContact CG1-CD1 3.72Å; P388-L520 HydrophobicContact CB-CD2 3.68Å; P388-L520 HydrophobicContact CG-CD2 4.4Å; I390-L520 HydrophobicContact CD1-CD1 4.35Å; P426-L520 HydrophobicContact CB-CD2 4.17Å; V428-L520 HydrophobicContact CG2-CD2 4.08Å; V428-L520 HydrophobicContact CG2-CG 4.46Å; I516-L520 HydrophobicContact CG2-CD1 3.66Å; I516-L520 HydrophobicContact CG2-CG 4Å; I516-L520 WeakPolarHBondContact O-CB 3.47Å; I516-L520 VanDerWaalsContact O-CG 3.3Å; I516-L520 WeakPolarHBondContact O-CG 2.98Å; I516-L520 PolarHBondContact O-N 3.28Å; L520-S524 PolarHBondContact O-N 2.68Å
521	E	97.2	Very high	97.4	Very high	92 Å²	92	64.6 Å²	64.6	43%	0.43	33%	0.331	S	S	.	.	H	α-helix	trans	-68	-45	174	-178.6	60.6	-176.8	0	0	111.6	R351 C517 R518 D519 S524	R351-E521 IonicContact CZ-OE2 3.31Å; R351-E521 IonicContact NH1-OE2 3.14Å; R351-E521 PolarHBondContact NH1-OE2 3.1Å; R351-E521 IonicContact NH2-OE1 2.7Å; R351-E521 IonicContact NH2-OE2 2.67Å; R351-E521 PolarHBondContact NH2-OE2 2.89Å; C517-E521 PolarHBondContact O-N 2.86Å; C517-E521 VanDerWaalsContact O-N 3.16Å; R518-E521 PolarHBondContact O-N 3.38Å; D519-E521 VanDerWaalsContact C-N 3.31Å; D519-E521 PolarHBondContact O-N 3.49Å; E521-S524 VanDerWaalsContact O-CB 3.31Å; E521-S524 WeakPolarHBondContact O-CB 3.07Å; E521-S524 PolarHBondContact O-N 3.39Å; E521-S524 PolarHBondContact O-OG 3.49Å
522	L	97.6	Very high	97.4	Very high	127 Å²	127	74.6 Å²	74.6	67%	0.665	37%	0.367	S	S	*	.	H	α-helix	trans	-60.4	-47.1	174.3	178.4	63.7	0	0	0	111.9	R518 D519 S524 S525	R518-L522 PolarHBondContact O-N 2.58Å; R518-L522 VanDerWaalsContact O-N 3.09Å; D519-L522 PolarHBondContact O-N 2.87Å; L522-S524 PolarHBondContact O-N 3.21Å; L522-S525 PolarHBondContact O-OG 3.02Å
523	L	97.9	Very high	97.3	Very high	27 Å²	27	79.6 Å²	79.6	14%	0.141	39%	0.389	C	S	.	.	H	α-helix	trans	-75.9	-6.1	-177.7	-64.5	168.8	0	0	0	113.5	P426 V428 D451 V452 D519 S525 K526	P426-L523 HydrophobicContact CB-CB 3.75Å; P426-L523 HydrophobicContact CB-CD1 4.12Å; P426-L523 HydrophobicContact CG-CB 3.89Å; P426-L523 WeakPolarHBondContact CG-O 3.4Å; V428-L523 HydrophobicContact CG2-CD1 4.24Å; D451-L523 HydrophobicContact CB-CD1 3.62Å; D451-L523 HydrophobicContact CB-CD2 3.83Å; D451-L523 HydrophobicContact CB-CG 4.41Å; V452-L523 HydrophobicContact CG2-CD1 4.45Å; D519-L523 WeakPolarHBondContact O-CB 3.38Å; D519-L523 WeakPolarHBondContact O-CD1 3.25Å; D519-L523 WeakPolarHBondContact O-CG 3.14Å; D519-L523 PolarHBondContact O-N 3.29Å; L523-S525 PolarHBondContact O-N 2.96Å; L523-S525 VanDerWaalsContact O-N 3.09Å; L523-K526 WeakPolarHBondContact O-CB 3.07Å; L523-K526 PolarHBondContact O-N 2.99Å
524	S	95.7	Very high	97.3	Very high	73 Å²	73	88.9 Å²	88.9	51%	0.51	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-24.3	174.5	68.5	0	0	0	0	113.4	L520 E521 L522	L520-S524 PolarHBondContact O-N 2.68Å; E521-S524 VanDerWaalsContact O-CB 3.31Å; E521-S524 WeakPolarHBondContact O-CB 3.07Å; E521-S524 PolarHBondContact O-N 3.39Å; E521-S524 PolarHBondContact O-OG 3.49Å; L522-S524 PolarHBondContact O-N 3.21Å
525	S	95.6	Very high	97.3	Very high	90 Å²	90	93.1 Å²	93.1	63%	0.629	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-0.4	176.7	67.7	0	0	0	0	114.4	L522 L523 K527	L522-S525 PolarHBondContact O-OG 3.02Å; L523-S525 PolarHBondContact O-N 2.96Å; L523-S525 VanDerWaalsContact O-N 3.09Å; S525-K527 PolarHBondContact O-N 3.47Å
526	K	97.6	Very high	97.3	Very high	46 Å²	46	89.9 Å²	89.9	20%	0.2	45%	0.445	C	S	.	.			trans	-56.5	127	-175.7	-179.3	-175.1	178.8	-177.4	0	111.2	T424 V425 P426 D451 L523	T424-K526 WeakPolarHBondContact O-CD 3.41Å; T424-K526 WeakPolarHBondContact O-CE 3.31Å; T424-K526 PolarHBondContact O-NZ 3.36Å; T424-K526 VanDerWaalsContact O-NZ 3.13Å; V425-K526 PolarHBondContact O-NZ 3.46Å; P426-K526 HydrophobicContact CG-CD 4.37Å; D451-K526 WeakPolarHBondContact OD1-CE 3.35Å; D451-K526 IonicContact OD1-NZ 2.94Å; D451-K526 PolarHBondContact OD1-NZ 3.33Å; D451-K526 IonicContact OD2-NZ 3.1Å; D451-K526 PolarHBondContact OD2-NZ 2.96Å; L523-K526 WeakPolarHBondContact O-CB 3.07Å; L523-K526 PolarHBondContact O-N 2.99Å
527	K	95.9	Very high	97.3	Very high	202 Å²	202	97 Å²	97	88%	0.878	48%	0.484	S	S	*	.			trans	-126.9	118.7	170.6	-69.7	178.7	-177.9	176.7	0	109	S525	S525-K527 PolarHBondContact O-N 3.47Å
528	Q	95	Very high	97.3	Very high	62 Å²	62	98.4 Å²	98.4	29%	0.29	49%	0.49	S	S	.	.			trans	-140	130.9	-179.3	178.4	170.9	-128.5	0	0	109.3	T424 R449	T424-Q528 HydrophobicContact CG2-CG 4.42Å; T424-Q528 WeakPolarHBondContact CG2-O 3.47Å; R449-Q528 VanDerWaalsContact NH2-CG 3.27Å
529	T	95.4	Very high	97.3	Very high	128 Å²	128	94.4 Å²	94.4	79%	0.785	48%	0.481	S	S	*	.			trans	-110.3	148.7	179.1	53.3	0	0	0	0	111.3
530	N	97.1	Very high	97.3	Very high	61 Å²	61	100.5 Å²	100.5	33%	0.326	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-96.1	158	170.4	-70.2	-33.2	0	0	0	111.1	E422 R449 W532	E422-N530 PolarHBondContact O-ND2 3Å; R449-N530 PolarHBondContact NH1-OD1 3.23Å; R449-N530 PolarHBondContact NH2-OD1 3.19Å; R449-N530 VanDerWaalsContact NH2-OD1 3.07Å; N530-W532 PolarHBondContact O-N 3.06Å
531	P	98	Very high	97.2	Very high	101 Å²	101	104.6 Å²	104.6	66%	0.656	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-56.1	135.2	173.1	-25.2	34.6	0	0	0	112.1	K533	P531-K533 WeakPolarHBondContact O-CE 3.32Å
532	W	98.1	Very high	97.2	Very high	229 Å²	229	105.2 Å²	105.2	87%	0.867	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-59.1	137.9	-176.2	-179.5	89.6	0	0	0	112.5	N530	N530-W532 PolarHBondContact O-N 3.06Å
533	K	98	Very high	97.2	Very high	105 Å²	105	104 Å²	104	46%	0.457	53%	0.532	S	S	.	.			trans	-163.4	163.3	177.6	61.8	-167.9	74.9	175.2	0	109.2	P531 H535	P531-K533 WeakPolarHBondContact O-CE 3.32Å; K533-H535 VanDerWaalsContact CD-O 3.27Å; K533-H535 WeakPolarHBondContact CD-O 3.33Å; K533-H535 WeakPolarHBondContact CG-O 3.38Å
534	K	98	Very high	97.1	Very high	195 Å²	195	108.5 Å²	108.5	85%	0.848	55%	0.554	S	S	*	*	S	Bend	trans	-65	-44.8	171.4	-69.4	-172.5	177.5	-176.6	0	111.9
535	H	98.1	Very high	97.2	Very high	150 Å²	150	110.8 Å²	110.8	69%	0.694	56%	0.557	S	S	*	*	S	Bend	trans	-164	173.8	171.4	51	82	0	0	0	109.2	K533	K533-H535 VanDerWaalsContact CD-O 3.27Å; K533-H535 WeakPolarHBondContact CD-O 3.33Å; K533-H535 WeakPolarHBondContact CG-O 3.38Å
536	G	97.4	Very high	97.4	Very high	21 Å²	21	112.1 Å²	112.1	22%	0.216	55%	0.552	C	S	.	*			trans	-69.3	163.9	169.6	0	0	0	0	0	113.1	Y418	Y418-G536 WeakPolarHBondContact OH-CA 3.38Å
537	N	98.1	Very high	97.3	Very high	150 Å²	150	116.9 Å²	116.9	80%	0.802	58%	0.578	S	S	*	*			trans	-119.4	63.2	168.7	-168.3	42.7	0	0	0	108.6	Y418	Y418-N537 PolarHBondContact OH-N 3.09Å
538	I	98.5	Very high	97.4	Very high	35 Å²	35	110.3 Å²	110.3	18%	0.179	55%	0.554	C	S	.	*			trans	-65.2	145.2	178.6	-170.9	171.1	0	0	0	110	Y418 L540	Y418-I538 HydrophobicContact CD1-CB 3.8Å; Y418-I538 HydrophobicContact CD1-CD1 3.66Å; Y418-I538 HydrophobicContact CD1-CG1 3.64Å; Y418-I538 HydrophobicContact CD2-CB 4.27Å; Y418-I538 HydrophobicContact CD2-CG1 4.17Å; Y418-I538 HydrophobicContact CE1-CB 3.84Å; Y418-I538 HydrophobicContact CE1-CD1 4.41Å; Y418-I538 HydrophobicContact CE1-CG1 4.22Å; Y418-I538 HydrophobicContact CE2-CB 4.3Å; Y418-I538 HydrophobicContact CG-CB 4.04Å; Y418-I538 HydrophobicContact CG-CD1 3.99Å; Y418-I538 HydrophobicContact CG-CG1 3.63Å; I538-L540 HydrophobicContact CG2-CD2 3.99Å
539	P	98.1	Very high	97.6	Very high	44 Å²	44	114.3 Å²	114.3	29%	0.286	58%	0.577	S	S	.	*			trans	-57	141	168.5	-25.1	35.6	0	0	0	111.9	R411 A414 K415	R411-P539 HydrophobicContact CB-CB 4.19Å; R411-P539 WeakPolarHBondContact O-CB 3.09Å; A414-P539 HydrophobicContact CB-CG 4.1Å; K415-P539 VanDerWaalsContact CE-O 3.22Å; K415-P539 WeakPolarHBondContact CE-O 3.25Å
540	L	96.9	Very high	97.8	Very high	153 Å²	153	113.1 Å²	113.1	80%	0.801	56%	0.558	S	S	*	*			trans	-114.7	0	-179.7	-60.1	-179.4	0	0	0	111.9	R411 K415 I538	R411-L540 PolarHBondContact NH1-O 3.48Å; K415-L540 VanDerWaalsContact CE-OXT 3.26Å; K415-L540 WeakPolarHBondContact CE-OXT 3.12Å; K415-L540 PolarHBondContact NZ-OXT 3.23Å; I538-L540 HydrophobicContact CG2-CD2 3.99Å

Retrieved 540 of 540 residues in 498.9 ms (Link to these results)

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