A0A096MCH8_POEFO Loading...

deoxyribonuclease II

AlphaFold DB , UniProt , Accession A0A096MCH8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 421 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	41.1	Very low	29.9	Very low	242 Å²	242	166.6 Å²	166.6	100%	1.192	82%	0.816	S	S	*	*				0	73.7	0	-71.5	170.7	170.2	0	0	107.2
2	N	30.3	Very low	29.6	Very low	153 Å²	153	164.5 Å²	164.5	82%	0.818	80%	0.8	S	S	*	*				11.4	113.5	88.5	-80.3	-9.7	0	0	0	115
3	I	31.8	Very low	29.5	Very low	169 Å²	169	161.8 Å²	161.8	87%	0.867	80%	0.8	S	S	*	*				-163.8	125.6	121.1	-87.6	147.7	0	0	0	108.9
4	H	29.6	Very low	29.3	Very low	175 Å²	175	162.1 Å²	162.1	81%	0.81	79%	0.794	S	S	*	*			trans	-52	157.4	164.7	-75.8	-78.6	0	0	0	113.7
5	R	30.3	Very low	29.4	Very low	222 Å²	222	158.9 Å²	158.9	84%	0.838	79%	0.791	S	S	*	*				177.7	110.9	117.8	-95	-172.7	178.2	-175.1	0.6	110.9
6	I	29.3	Very low	29.6	Very low	130 Å²	130	162.8 Å²	162.8	67%	0.667	80%	0.795	S	S	*	*				98.4	104.7	99.3	-72.3	172.7	0	0	0	111.6	L8	I6-L8 HydrophobicContact CG2-CD1 4.43Å; I6-L8 HydrophobicContact CG2-CG 4.25Å
7	S	26.8	Very low	29.9	Very low	104 Å²	104	163.4 Å²	163.4	73%	0.727	80%	0.796	S	S	*	*			trans	-61.9	132.9	154.6	173.7	0	0	0	0	110
8	L	28.1	Very low	30.2	Very low	147 Å²	147	160.8 Å²	160.8	77%	0.77	79%	0.791	S	S	*	*			trans	-127.4	95.1	160.6	-94.7	161.3	0	0	0	108.2	I6 R10	I6-L8 HydrophobicContact CG2-CD1 4.43Å; I6-L8 HydrophobicContact CG2-CG 4.25Å; L8-R10 PolarHBondContact O-N 3.4Å
9	H	28.4	Very low	30.5	Very low	169 Å²	169	158.5 Å²	158.5	78%	0.782	79%	0.787	S	S	*	*			trans	-54.7	120.3	153.2	-93.9	-51.9	0	0	0	109
10	R	26.6	Very low	30.7	Very low	198 Å²	198	154.1 Å²	154.1	75%	0.747	78%	0.777	S	S	*	*			trans	-121.8	92.2	153.9	-84.5	-171.3	177.7	-171.5	-1	108.6	L8 F12	L8-R10 PolarHBondContact O-N 3.4Å; R10-F12 HydrophobicContact CB-CD2 4.29Å; R10-F12 HydrophobicContact CB-CE2 4.37Å; R10-F12 PolarHBondContact O-N 2.91Å
11	T	27.2	Very low	31	Very low	124 Å²	124	150.8 Å²	150.8	76%	0.761	77%	0.765	S	S	*	*			trans	-57.7	108.9	151.4	16.9	0	0	0	0	108.1
12	F	25.3	Very low	30.7	Very low	141 Å²	141	148.2 Å²	148.2	62%	0.618	74%	0.743	S	S	*	*			trans	-97.3	94.1	161.6	-94.6	-84	0	0	0	107.8	R10 F14	R10-F12 HydrophobicContact CB-CD2 4.29Å; R10-F12 HydrophobicContact CB-CE2 4.37Å; R10-F12 PolarHBondContact O-N 2.91Å; F12-F14 HydrophobicContact CB-CD2 4.26Å; F12-F14 HydrophobicContact CB-CE2 4.29Å; F12-F14 HydrophobicContact CD1-CD2 4.12Å; F12-F14 AromaticContact CD1-CE2 3.51Å; F12-F14 HydrophobicContact CD1-CE2 3.51Å; F12-F14 HydrophobicContact CD1-CZ 4.1Å; F12-F14 HydrophobicContact CE1-CE2 4.17Å; F12-F14 HydrophobicContact CE1-CZ 4.37Å; F12-F14 HydrophobicContact CG-CE2 4.18Å; F12-F14 PolarHBondContact O-N 2.93Å
13	T	28.2	Very low	31.1	Very low	130 Å²	130	146.3 Å²	146.3	80%	0.798	73%	0.733	S	S	*	*			trans	-74.4	108.7	155.8	33.7	0	0	0	0	107.4
14	F	26.8	Very low	31.5	Very low	165 Å²	165	145.5 Å²	145.5	72%	0.724	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-92.6	129.9	165.2	-92.5	-83.1	0	0	0	109.3	F12	F12-F14 HydrophobicContact CB-CD2 4.26Å; F12-F14 HydrophobicContact CB-CE2 4.29Å; F12-F14 HydrophobicContact CD1-CD2 4.12Å; F12-F14 AromaticContact CD1-CE2 3.51Å; F12-F14 HydrophobicContact CD1-CE2 3.51Å; F12-F14 HydrophobicContact CD1-CZ 4.1Å; F12-F14 HydrophobicContact CE1-CE2 4.17Å; F12-F14 HydrophobicContact CE1-CZ 4.37Å; F12-F14 HydrophobicContact CG-CE2 4.18Å; F12-F14 PolarHBondContact O-N 2.93Å
15	P	30.7	Very low	31.9	Very low	115 Å²	115	143 Å²	143	75%	0.747	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-74.7	139.5	-179.3	29.3	-31.7	0	0	0	111.2
16	Y	33.1	Very low	32.4	Very low	220 Å²	220	139 Å²	139	86%	0.863	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-52.5	134	156.9	-75.1	-99.7	0	0	0	109.8
17	H	34.9	Very low	32.9	Very low	173 Å²	173	136.6 Å²	136.6	80%	0.801	70%	0.698	S	S	*	*			trans	139.9	84.3	153	-83.6	-70	0	0	0	112.4
18	V	34.8	Very low	33.7	Very low	118 Å²	118	135 Å²	135	72%	0.715	68%	0.681	S	S	*	*			trans	-148.2	74.7	146.8	-168.1	0	0	0	0	108.8
19	T	35.5	Very low	34.4	Very low	116 Å²	116	130.1 Å²	130.1	71%	0.712	66%	0.659	S	S	*	*	S	Bend	trans	-134.9	16.5	168	41	0	0	0	0	112.4
20	A	35.8	Very low	35	Very low	71 Å²	71	127 Å²	127	59%	0.587	65%	0.647	S	S	*	*	S	Bend	trans	-107	-13.4	-177.7	0	0	0	0	0	114.4
21	T	36.2	Very low	35.8	Very low	85 Å²	85	123.6 Å²	123.6	52%	0.521	64%	0.64	S	S	.	*	H	α-helix	trans	-90.2	-28.1	-173.5	43.5	0	0	0	0	113.9
22	Y	34.7	Very low	36.5	Very low	187 Å²	187	123 Å²	123	73%	0.733	63%	0.632	S	S	*	*	H	α-helix	trans	-75.1	-33.5	175.8	-78.2	-82	0	0	0	112.7	F26	Y22-F26 PolarHBondContact O-N 3.24Å
23	D	40.2	Very low	37.5	Very low	113 Å²	113	125 Å²	125	60%	0.604	64%	0.635	S	S	*	*	H	α-helix	trans	-70.7	-32.3	178.1	-70.3	-21.7	0	0	0	112.2	F26 C27	D23-F26 PolarHBondContact O-N 3.42Å; D23-C27 PolarHBondContact O-N 2.94Å; D23-C27 VanDerWaalsContact O-N 3.09Å
24	F	38.5	Very low	38.1	Very low	152 Å²	152	125.6 Å²	125.6	67%	0.667	63%	0.627	S	S	*	*	H	α-helix	trans	-69.8	-40.9	177.7	-134.7	-95.2	0	0	0	112.1	C27 I28	F24-C27 PolarHBondContact O-N 2.95Å; F24-I28 HydrophobicContact CD1-CD1 3.81Å; F24-I28 HydrophobicContact CE1-CD1 4.27Å; F24-I28 WeakPolarHBondContact O-CD1 3.44Å; F24-I28 VanDerWaalsContact O-CG1 3.25Å; F24-I28 WeakPolarHBondContact O-CG1 3.43Å; F24-I28 PolarHBondContact O-N 3.01Å; F24-I28 VanDerWaalsContact O-N 3.09Å
25	L	38.5	Very low	38.9	Very low	122 Å²	122	122.7 Å²	122.7	64%	0.639	62%	0.618	S	S	*	*	H	α-helix	trans	-69.3	-32	177.1	-83.7	153.4	0	0	0	112.5	S29	L25-S29 WeakPolarHBondContact O-CB 3.39Å; L25-S29 PolarHBondContact O-N 2.94Å; L25-S29 VanDerWaalsContact O-N 3.12Å
26	F	41.3	Very low	39.3	Very low	138 Å²	138	125 Å²	125	61%	0.605	61%	0.613	S	S	*	*	H	α-helix	trans	-72.4	-40.7	175.7	-163.3	-98.7	0	0	0	112.3	Y22 D23 S29 L30	Y22-F26 PolarHBondContact O-N 3.24Å; D23-F26 PolarHBondContact O-N 3.42Å; F26-S29 WeakPolarHBondContact O-CB 3.48Å; F26-S29 PolarHBondContact O-N 3.47Å; F26-L30 HydrophobicContact CD1-CD1 4.3Å; F26-L30 HydrophobicContact CE1-CD1 3.83Å; F26-L30 HydrophobicContact CZ-CD1 4.18Å; F26-L30 PolarHBondContact O-N 3.13Å; F26-L30 VanDerWaalsContact O-N 3.11Å
27	C	38.9	Very low	39.6	Very low	80 Å²	80	121.6 Å²	121.6	54%	0.541	60%	0.603	S	S	.	*	H	α-helix	trans	-62.4	-40.5	173.1	-89.3	0	0	0	0	112.8	D23 F24 L30 Q31	D23-C27 PolarHBondContact O-N 2.94Å; D23-C27 VanDerWaalsContact O-N 3.09Å; F24-C27 PolarHBondContact O-N 2.95Å; C27-L30 PolarHBondContact O-N 2.88Å; C27-Q31 WeakPolarHBondContact O-CG 3.46Å; C27-Q31 PolarHBondContact O-N 3.38Å
28	I	44.8	Very low	39.8	Very low	70 Å²	70	118.5 Å²	118.5	36%	0.359	59%	0.589	S	S	.	*	H	α-helix	trans	-67	-38.9	177.4	-68	166.4	0	0	0	111.2	F24 L30 Q31 L32	F24-I28 HydrophobicContact CD1-CD1 3.81Å; F24-I28 HydrophobicContact CE1-CD1 4.27Å; F24-I28 WeakPolarHBondContact O-CD1 3.44Å; F24-I28 VanDerWaalsContact O-CG1 3.25Å; F24-I28 WeakPolarHBondContact O-CG1 3.43Å; F24-I28 PolarHBondContact O-N 3.01Å; F24-I28 VanDerWaalsContact O-N 3.09Å; I28-L30 VanDerWaalsContact C-N 3.34Å; I28-L30 PolarHBondContact O-N 3.09Å; I28-Q31 PolarHBondContact O-N 3.49Å; I28-L32 HydrophobicContact CG2-CD1 3.93Å; I28-L32 WeakPolarHBondContact O-CG 3.47Å; I28-L32 PolarHBondContact O-N 3.15Å
29	S	43.2	Very low	40.1	Very low	46 Å²	46	120.5 Å²	120.5	32%	0.322	59%	0.588	S	S	.	*	H	α-helix	trans	-60.3	-40.9	174.1	168.7	0	0	0	0	112.5	L25 F26 R33	L25-S29 WeakPolarHBondContact O-CB 3.39Å; L25-S29 PolarHBondContact O-N 2.94Å; L25-S29 VanDerWaalsContact O-N 3.12Å; F26-S29 WeakPolarHBondContact O-CB 3.48Å; F26-S29 PolarHBondContact O-N 3.47Å; S29-R33 WeakPolarHBondContact O-CG 3.25Å; S29-R33 PolarHBondContact O-N 3.44Å
30	L	39.7	Very low	40.2	Very low	102 Å²	102	119.2 Å²	119.2	53%	0.534	58%	0.577	S	S	.	*	H	α-helix	trans	-69.2	-41	175.9	-114.2	83.6	0	0	0	112.4	F26 C27 I28 L32 R33 F34	F26-L30 HydrophobicContact CD1-CD1 4.3Å; F26-L30 HydrophobicContact CE1-CD1 3.83Å; F26-L30 HydrophobicContact CZ-CD1 4.18Å; F26-L30 PolarHBondContact O-N 3.13Å; F26-L30 VanDerWaalsContact O-N 3.11Å; C27-L30 PolarHBondContact O-N 2.88Å; I28-L30 VanDerWaalsContact C-N 3.34Å; I28-L30 PolarHBondContact O-N 3.09Å; L30-L32 PolarHBondContact O-N 3.2Å; L30-R33 PolarHBondContact O-N 3.06Å; L30-F34 PolarHBondContact O-N 3.34Å
31	Q	43.6	Very low	40.3	Very low	128 Å²	128	120.1 Å²	120.1	60%	0.598	58%	0.578	S	S	*	*	H	α-helix	trans	-62.3	-40.6	176.3	-78.5	-179.2	-21.8	0	0	112.3	C27 I28 F34 L35	C27-Q31 WeakPolarHBondContact O-CG 3.46Å; C27-Q31 PolarHBondContact O-N 3.38Å; I28-Q31 PolarHBondContact O-N 3.49Å; Q31-F34 PolarHBondContact O-N 3.5Å; Q31-L35 PolarHBondContact O-N 3.09Å
32	L	42.2	Very low	40.5	Very low	111 Å²	111	123.3 Å²	123.3	58%	0.581	59%	0.586	S	S	*	*	H	α-helix	trans	-67	-36.1	176.9	-74.3	165.4	0	0	0	112.4	I28 L30 Y36	I28-L32 HydrophobicContact CG2-CD1 3.93Å; I28-L32 WeakPolarHBondContact O-CG 3.47Å; I28-L32 PolarHBondContact O-N 3.15Å; L30-L32 PolarHBondContact O-N 3.2Å; L32-Y36 PolarHBondContact O-N 3.39Å; L32-Y36 VanDerWaalsContact O-N 3.1Å
33	R	45.5	Very low	40.7	Very low	183 Å²	183	118.4 Å²	118.4	69%	0.691	58%	0.576	S	S	*	*	H	α-helix	trans	-69.2	-34.4	174	-73.2	179.3	-174.2	-123.7	0.7	112.5	S29 L30 Y36 F37	S29-R33 WeakPolarHBondContact O-CG 3.25Å; S29-R33 PolarHBondContact O-N 3.44Å; L30-R33 PolarHBondContact O-N 3.06Å; R33-Y36 PolarHBondContact O-N 3.13Å; R33-F37 PolarHBondContact O-N 3.44Å; R33-F37 VanDerWaalsContact O-N 3.1Å
34	F	41.8	Very low	40.5	Very low	142 Å²	142	116.1 Å²	116.1	62%	0.623	57%	0.573	S	S	*	*	H	α-helix	trans	-69.4	-41.2	176.3	-156.5	-95.6	0	0	0	112.1	L30 Q31 Y36 F37 Q38	L30-F34 PolarHBondContact O-N 3.34Å; Q31-F34 PolarHBondContact O-N 3.5Å; F34-Y36 VanDerWaalsContact C-N 3.31Å; F34-Y36 PolarHBondContact O-N 3Å; F34-F37 PolarHBondContact O-N 2.92Å; F34-Q38 HydrophobicContact CD1-CG 4.48Å; F34-Q38 HydrophobicContact CE1-CG 4.42Å; F34-Q38 PolarHBondContact O-N 3.02Å
35	L	42.6	Very low	40.3	Very low	104 Å²	104	119.1 Å²	119.1	55%	0.545	58%	0.58	S	S	.	*	H	α-helix	trans	-63.9	-34.4	173.1	-78.4	161.4	0	0	0	112.6	Q31 K39	Q31-L35 PolarHBondContact O-N 3.09Å; L35-K39 PolarHBondContact O-N 3.27Å; L35-K39 VanDerWaalsContact O-N 3.13Å
36	Y	39.5	Very low	40.2	Very low	164 Å²	164	117.5 Å²	117.5	64%	0.643	58%	0.578	S	S	*	*	H	α-helix	trans	-67.8	-39.6	174.8	-162.9	-99.1	0	0	0	112	L32 R33 F34 K39 L40	L32-Y36 PolarHBondContact O-N 3.39Å; L32-Y36 VanDerWaalsContact O-N 3.1Å; R33-Y36 PolarHBondContact O-N 3.13Å; F34-Y36 VanDerWaalsContact C-N 3.31Å; F34-Y36 PolarHBondContact O-N 3Å; Y36-K39 PolarHBondContact O-N 2.87Å; Y36-L40 HydrophobicContact CD1-CD1 3.72Å; Y36-L40 HydrophobicContact CE1-CD1 3.67Å; Y36-L40 HydrophobicContact CE1-CG 4.39Å; Y36-L40 PolarHBondContact O-N 2.84Å; Y36-L40 VanDerWaalsContact O-N 3.09Å
37	F	39.3	Very low	39.9	Very low	148 Å²	148	118 Å²	118	65%	0.649	59%	0.587	S	S	*	*	H	α-helix	trans	-68.4	-38.6	176.1	-120.1	-91.6	0	0	0	112.8	R33 F34 K39 L40 C41	R33-F37 PolarHBondContact O-N 3.44Å; R33-F37 VanDerWaalsContact O-N 3.1Å; F34-F37 PolarHBondContact O-N 2.92Å; F37-K39 VanDerWaalsContact C-N 3.34Å; F37-K39 PolarHBondContact O-N 3.42Å; F37-L40 PolarHBondContact O-N 3.1Å; F37-C41 PolarHBondContact O-N 3.1Å
38	Q	39	Very low	39.7	Very low	108 Å²	108	122.5 Å²	122.5	51%	0.505	60%	0.6	S	S	.	*	H	α-helix	trans	-64.7	-36.4	173.6	-79.2	-177.8	-35.8	0	0	112.5	F34 H42	F34-Q38 HydrophobicContact CD1-CG 4.48Å; F34-Q38 HydrophobicContact CE1-CG 4.42Å; F34-Q38 PolarHBondContact O-N 3.02Å; Q38-H42 PolarHBondContact O-N 3.31Å
39	K	40.6	Very low	39.3	Very low	160 Å²	160	125.5 Å²	125.5	70%	0.696	62%	0.622	S	S	*	*	H	α-helix	trans	-65	-43.6	172.7	-90	-179.4	174.6	180	0	112.3	L35 Y36 F37 C41 H42 T43	L35-K39 PolarHBondContact O-N 3.27Å; L35-K39 VanDerWaalsContact O-N 3.13Å; Y36-K39 PolarHBondContact O-N 2.87Å; F37-K39 VanDerWaalsContact C-N 3.34Å; F37-K39 PolarHBondContact O-N 3.42Å; K39-C41 VanDerWaalsContact C-N 3.34Å; K39-C41 PolarHBondContact O-N 3Å; K39-H42 PolarHBondContact O-N 3.3Å; K39-H42 VanDerWaalsContact O-N 3.15Å; K39-T43 PolarHBondContact O-N 3.48Å; K39-T43 VanDerWaalsContact O-N 3.09Å; K39-T43 PolarHBondContact O-OG1 3.32Å
40	L	39	Very low	39.1	Very low	89 Å²	89	126.1 Å²	126.1	47%	0.466	64%	0.635	S	S	.	*	H	α-helix	trans	-62.6	-37.6	177.1	-77.7	162.9	0	0	0	113	Y36 F37 H42 T43 A44	Y36-L40 HydrophobicContact CD1-CD1 3.72Å; Y36-L40 HydrophobicContact CE1-CD1 3.67Å; Y36-L40 HydrophobicContact CE1-CG 4.39Å; Y36-L40 PolarHBondContact O-N 2.84Å; Y36-L40 VanDerWaalsContact O-N 3.09Å; F37-L40 PolarHBondContact O-N 3.1Å; L40-H42 VanDerWaalsContact C-N 3.32Å; L40-H42 PolarHBondContact O-N 3.19Å; L40-T43 PolarHBondContact O-N 2.99Å; L40-A44 PolarHBondContact O-N 3Å; L40-A44 VanDerWaalsContact O-N 3.13Å
41	C	38.3	Very low	38.7	Very low	90 Å²	90	131.6 Å²	131.6	61%	0.608	66%	0.655	S	S	*	*	H	α-helix	trans	-67.7	-30.6	174.7	-111.1	0	0	0	0	112.9	F37 K39	F37-C41 PolarHBondContact O-N 3.1Å; K39-C41 VanDerWaalsContact C-N 3.34Å; K39-C41 PolarHBondContact O-N 3Å
42	H	39.7	Very low	38.1	Very low	153 Å²	153	137 Å²	137	71%	0.708	67%	0.67	S	S	*	*	H	α-helix	trans	-73.8	-35.6	174.2	-109.7	-71.3	0	0	0	112.6	Q38 K39 L40 R45	Q38-H42 PolarHBondContact O-N 3.31Å; K39-H42 PolarHBondContact O-N 3.3Å; K39-H42 VanDerWaalsContact O-N 3.15Å; L40-H42 VanDerWaalsContact C-N 3.32Å; L40-H42 PolarHBondContact O-N 3.19Å; H42-R45 PolarHBondContact O-N 3.46Å
43	T	38.4	Very low	37.7	Very low	84 Å²	84	140.7 Å²	140.7	52%	0.515	68%	0.684	S	S	.	*	H	α-helix	trans	-71.6	-32.2	176.8	-26.5	0	0	0	0	112.4	K39 L40 R45 S46	K39-T43 PolarHBondContact O-N 3.48Å; K39-T43 VanDerWaalsContact O-N 3.09Å; K39-T43 PolarHBondContact O-OG1 3.32Å; L40-T43 PolarHBondContact O-N 2.99Å; T43-R45 VanDerWaalsContact C-N 3.31Å; T43-R45 PolarHBondContact O-N 3.11Å; T43-S46 PolarHBondContact O-N 3.33Å
44	A	35.9	Very low	37.1	Very low	65 Å²	65	139 Å²	139	54%	0.537	69%	0.694	S	S	.	*	H	α-helix	trans	-68.5	-25.7	176.6	0	0	0	0	0	113.6	L40 S46	L40-A44 PolarHBondContact O-N 3Å; L40-A44 VanDerWaalsContact O-N 3.13Å; A44-S46 VanDerWaalsContact C-N 3.33Å
45	R	34.6	Very low	36.5	Very low	214 Å²	214	139.6 Å²	139.6	81%	0.808	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-9.7	173.9	-90.5	-175.7	-177.6	-162.7	0.5	114.6	H42 T43	H42-R45 PolarHBondContact O-N 3.46Å; T43-R45 VanDerWaalsContact C-N 3.31Å; T43-R45 PolarHBondContact O-N 3.11Å
46	S	35.7	Very low	35.7	Very low	88 Å²	88	142.4 Å²	142.4	62%	0.615	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	-3.8	178.6	159.7	0	0	0	0	113.8	T43 A44	T43-S46 PolarHBondContact O-N 3.33Å; A44-S46 VanDerWaalsContact C-N 3.33Å
47	L	35.6	Very low	35.7	Very low	149 Å²	149	139.1 Å²	139.1	78%	0.78	72%	0.716	S	S	*	*	S	Bend	trans	-108.2	11.2	-177.6	-86.3	155.5	0	0	0	114.2
48	Q	34.3	Very low	35.1	Very low	175 Å²	175	141.1 Å²	141.1	82%	0.818	73%	0.728	S	S	*	*	S	Bend	trans	-113.8	13.5	-178.4	-122.2	174.6	-2.6	0	0	114.6
49	T	37.2	Very low	34.7	Very low	133 Å²	133	144.4 Å²	144.4	82%	0.816	75%	0.748	S	S	*	*	S	Bend	trans	-122.7	39.7	-179.4	45.1	0	0	0	0	113.4
50	G	38.8	Very low	34.1	Very low	58 Å²	58	141 Å²	141	60%	0.598	75%	0.75	S	S	*	*			trans	-152	80.3	171.6	0	0	0	0	0	110.6
51	F	31.8	Very low	33.7	Very low	218 Å²	218	145.3 Å²	145.3	96%	0.956	77%	0.768	S	S	*	*			trans	177.8	83.1	152.9	-96.4	-68.8	0	0	0	108.5
52	R	30.5	Very low	33.2	Very low	242 Å²	242	147.6 Å²	147.6	91%	0.913	77%	0.773	S	S	*	*			trans	-144.2	87.2	159.2	-86.1	-164.8	178.9	-162.1	-0.3	109.4
53	H	32.7	Very low	32.6	Very low	187 Å²	187	149.3 Å²	149.3	87%	0.866	78%	0.779	S	S	*	*			trans	-157.1	102.7	153.5	-93	-62.9	0	0	0	107
54	V	33.8	Very low	32.2	Very low	149 Å²	149	151.1 Å²	151.1	90%	0.903	80%	0.795	S	S	*	*			trans	-165.9	129.8	130.6	173	0	0	0	0	106.2
55	L	28.9	Very low	32	Very low	154 Å²	154	153 Å²	153	81%	0.806	81%	0.81	S	S	*	*			trans	-70.5	152.3	-171.9	-68.5	122	0	0	0	114
56	N	27.1	Very low	31.9	Very low	163 Å²	163	148.5 Å²	148.5	87%	0.872	81%	0.812	S	S	*	*				-153.6	132.8	122.1	-153.9	7.1	0	0	0	109.9
57	P	38.2	Very low	32	Very low	94 Å²	94	149.9 Å²	149.9	61%	0.61	82%	0.819	S	S	*	*			trans	-104.3	127.7	-169.7	34.2	-20.5	0	0	0	111.7
58	Q	27.8	Very low	31.9	Very low	191 Å²	191	148.9 Å²	148.9	89%	0.893	82%	0.821	S	S	*	*			trans	-171	142.5	152.4	-109.3	168.6	-0.4	0	0	109.2
59	L	30.8	Very low	31.9	Very low	176 Å²	176	149.5 Å²	149.5	92%	0.921	82%	0.821	S	S	*	*			trans	87.8	65	-175.9	-61.3	151.9	0	0	0	114.5
60	A	27.5	Very low	31.9	Very low	90 Å²	90	151.6 Å²	151.6	74%	0.744	82%	0.824	S	S	*	*			trans	-73	162.9	143.3	0	0	0	0	0	109.9
61	E	29.4	Very low	31.6	Very low	178 Å²	178	153.6 Å²	153.6	83%	0.832	83%	0.834	S	S	*	*			trans	85.3	98	176.3	-52.3	-167.2	175.8	0	0	115
62	L	27.5	Very low	32.2	Very low	138 Å²	138	148.5 Å²	148.5	72%	0.723	83%	0.826	S	S	*	*				-174.9	138.4	100.1	-106	119.4	0	0	0	110.3
63	F	29.2	Very low	32.5	Very low	189 Å²	189	145.5 Å²	145.5	83%	0.829	82%	0.822	S	S	*	*			trans	90.1	84	169.8	-54.8	-67.9	0	0	0	118.9
64	S	28.3	Very low	32.8	Very low	123 Å²	123	144.4 Å²	144.4	86%	0.86	82%	0.822	S	S	*	*			trans	-46.8	129.6	145	-58	0	0	0	0	113.4
65	A	32.1	Very low	32.9	Very low	103 Å²	103	143.7 Å²	143.7	85%	0.851	82%	0.818	S	S	*	*			trans	-173.8	111.1	135.3	0	0	0	0	0	110.1
66	S	32.2	Very low	33.5	Very low	121 Å²	121	141.1 Å²	141.1	85%	0.846	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-83.4	159.2	162.8	18.3	0	0	0	0	111.2
67	P	39.1	Very low	34	Very low	116 Å²	116	138.6 Å²	138.6	75%	0.753	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-102.9	167.7	-147.8	39	-34.5	0	0	0	114
68	P	33.5	Very low	34.1	Very low	128 Å²	128	143 Å²	143	83%	0.831	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-91.8	147.5	155.2	33.2	-24.1	0	0	0	111.7
69	K	34.4	Very low	34.6	Very low	188 Å²	188	141.8 Å²	141.8	82%	0.817	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-78	147.8	-177.1	-71.2	172.9	174.8	174.7	0	112.6
70	M	35.7	Very low	35.4	Very low	178 Å²	178	140 Å²	140	88%	0.877	80%	0.798	S	S	*	*			trans	45	112.8	146.1	-74.1	-167	-72.1	0	0	119.3
71	A	33.5	Very low	36.4	Very low	99 Å²	99	141.7 Å²	141.7	82%	0.818	80%	0.799	S	S	*	*			trans	-145.4	126	132.7	0	0	0	0	0	109.5
72	S	43.4	Very low	37.4	Very low	112 Å²	112	138.6 Å²	138.6	78%	0.783	79%	0.792	S	S	*	*			trans	-51.3	132.6	171.8	50.3	0	0	0	0	112.6
73	Q	36.9	Very low	38.3	Very low	179 Å²	179	139 Å²	139	84%	0.836	79%	0.794	S	S	*	*			trans	-159	110.3	155	-108.1	163.1	35.6	0	0	111.4
74	L	39.1	Very low	39.3	Very low	163 Å²	163	137.4 Å²	137.4	85%	0.853	79%	0.793	S	S	*	*			trans	37.4	101.3	141.1	-70	144.8	0	0	0	117.5	P76	L74-P76 WeakPolarHBondContact O-CD 3.47Å
75	V	37.2	Very low	40.3	Very low	135 Å²	135	138.3 Å²	138.3	82%	0.818	79%	0.788	S	S	*	*			trans	-76	119.5	159.6	179.8	0	0	0	0	108	C77	V75-C77 PolarHBondContact O-N 3.09Å
76	P	40.6	Very low	40.7	Very low	99 Å²	99	138.5 Å²	138.5	64%	0.643	78%	0.782	S	S	*	*			trans	-76.8	120	167	28.6	-23.6	0	0	0	107.8	L74 F78	L74-P76 WeakPolarHBondContact O-CD 3.47Å; P76-F78 PolarHBondContact O-N 3.12Å
77	C	38.4	Very low	41.2	Very low	110 Å²	110	142 Å²	142	74%	0.743	78%	0.782	S	S	*	*			trans	-54.5	103.2	165.8	-81.8	0	0	0	0	108.8	V75 H79	V75-C77 PolarHBondContact O-N 3.09Å; C77-H79 VanDerWaalsContact C-N 3.31Å; C77-H79 PolarHBondContact O-N 3.49Å
78	F	39.4	Very low	41.3	Very low	186 Å²	186	142.3 Å²	142.3	82%	0.816	78%	0.782	S	S	*	*			trans	-63.6	96.9	162.5	-103.9	-96.2	0	0	0	107.4	P76 I80	P76-F78 PolarHBondContact O-N 3.12Å; F78-I80 VanDerWaalsContact C-N 3.29Å; F78-I80 PolarHBondContact O-N 2.84Å
79	H	37.7	Very low	41.8	Very low	167 Å²	167	143.1 Å²	143.1	77%	0.773	78%	0.784	S	S	*	*			trans	-64.7	95.4	161.9	-81.6	-54.8	0	0	0	107.7	C77 T81	C77-H79 VanDerWaalsContact C-N 3.31Å; C77-H79 PolarHBondContact O-N 3.49Å; H79-T81 VanDerWaalsContact C-N 3.26Å; H79-T81 PolarHBondContact O-N 3.35Å
80	I	47.8	Very low	42.2	Very low	138 Å²	138	136.7 Å²	136.7	71%	0.708	77%	0.771	S	S	*	*			trans	-71.2	92.3	162.3	-60.9	176.3	0	0	0	105.7	F78 V82	F78-I80 VanDerWaalsContact C-N 3.29Å; F78-I80 PolarHBondContact O-N 2.84Å; I80-V82 VanDerWaalsContact C-N 3.26Å; I80-V82 HydrophobicContact CG2-CG2 3.97Å; I80-V82 PolarHBondContact O-N 2.76Å
81	T	48.6	Very low	43.2	Very low	125 Å²	125	135.6 Å²	135.6	77%	0.767	76%	0.757	S	S	*	*			trans	-63.8	93.8	160.8	15	0	0	0	0	107.2	H79 L83	H79-T81 VanDerWaalsContact C-N 3.26Å; H79-T81 PolarHBondContact O-N 3.35Å; T81-L83 VanDerWaalsContact C-N 3.3Å; T81-L83 PolarHBondContact O-N 3.19Å
82	V	51.7	Low	45	Very low	113 Å²	113	134.4 Å²	134.4	69%	0.685	74%	0.743	S	S	*	*			trans	-64.9	98.3	164.6	177.6	0	0	0	0	105.9	I80 L84	I80-V82 VanDerWaalsContact C-N 3.26Å; I80-V82 HydrophobicContact CG2-CG2 3.97Å; I80-V82 PolarHBondContact O-N 2.76Å; V82-L84 PolarHBondContact O-N 3.09Å
83	L	45.4	Very low	47.2	Very low	148 Å²	148	133 Å²	133	78%	0.775	73%	0.727	S	S	*	*			trans	-56.5	104.3	165.5	-129.1	88.5	0	0	0	105.9	T81 L85	T81-L83 VanDerWaalsContact C-N 3.3Å; T81-L83 PolarHBondContact O-N 3.19Å; L83-L85 PolarHBondContact O-N 3.5Å
84	L	50.8	Low	50.1	Low	154 Å²	154	125 Å²	125	81%	0.806	69%	0.69	S	S	*	*			trans	-59.3	100.5	159.3	-98.3	94.3	0	0	0	105.1	V82 C86	V82-L84 PolarHBondContact O-N 3.09Å; L84-C86 PolarHBondContact O-N 2.65Å
85	L	48.6	Very low	52.9	Low	143 Å²	143	117.3 Å²	117.3	75%	0.749	65%	0.65	S	S	*	*			trans	-56.1	100	152.5	-92.7	117.8	0	0	0	104.9	L83 F87	L83-L85 PolarHBondContact O-N 3.5Å; L85-F87 PolarHBondContact O-N 3.48Å
86	C	41.3	Very low	55.9	Low	107 Å²	107	110.9 Å²	110.9	72%	0.723	61%	0.611	S	S	*	*			trans	-47.3	104.9	151	-87	0	0	0	0	104.8	L84 T88	L84-C86 PolarHBondContact O-N 2.65Å; C86-T88 PolarHBondContact O-N 2.94Å
87	F	43.1	Very low	58.6	Low	194 Å²	194	107.8 Å²	107.8	85%	0.851	59%	0.587	S	S	*	*			trans	-56.6	97.9	158.5	-77.3	-87.4	0	0	0	104	L85 V89	L85-F87 PolarHBondContact O-N 3.48Å; F87-V89 VanDerWaalsContact C-N 3.31Å; F87-V89 PolarHBondContact O-N 2.89Å
88	T	40.9	Very low	61.4	Low	123 Å²	123	103.3 Å²	103.3	76%	0.755	56%	0.555	S	S	*	*			trans	-48.8	113.9	152	49.5	0	0	0	0	103.1	C86 G90	C86-T88 PolarHBondContact O-N 2.94Å; T88-G90 PolarHBondContact O-N 3.15Å
89	V	43.7	Very low	64.2	Low	144 Å²	144	95.9 Å²	95.9	87%	0.873	52%	0.523	S	S	*	.			trans	-62.9	82.8	165.1	178.4	0	0	0	0	103.7	F87 R91	F87-V89 VanDerWaalsContact C-N 3.31Å; F87-V89 PolarHBondContact O-N 2.89Å; V89-R91 PolarHBondContact O-N 3.33Å; V89-R91 VanDerWaalsContact O-N 3.15Å
90	G	43	Very low	67	Low	53 Å²	53	91.5 Å²	91.5	55%	0.546	52%	0.515	S	S	.	.			trans	-57.3	122.3	173.8	0	0	0	0	0	104.3	T88 S92	T88-G90 PolarHBondContact O-N 3.15Å; G90-S92 PolarHBondContact O-N 3.27Å
91	R	56.4	Low	69.3	Low	155 Å²	155	86.2 Å²	86.2	59%	0.585	50%	0.495	S	S	*	.			trans	-54.5	110.7	171.7	-174.6	175.5	-177.1	125.2	-2.9	105.9	V89 D93 S167	V89-R91 PolarHBondContact O-N 3.33Å; V89-R91 VanDerWaalsContact O-N 3.15Å; R91-D93 PolarHBondContact O-N 3.22Å; R91-S167 PolarHBondContact NH2-OG 2.95Å
92	S	71.9	Confident	71.6	Confident	75 Å²	75	86.1 Å²	86.1	52%	0.524	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-64.8	127.4	-179.7	-174.7	0	0	0	0	107.9	G90 R97	G90-S92 PolarHBondContact O-N 3.27Å; S92-R97 PolarHBondContact OG-NH1 3.29Å; S92-R97 PolarHBondContact OG-NH2 2.83Å
93	D	89.7	Confident	73.8	Confident	81 Å²	81	83.8 Å²	83.8	43%	0.433	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-57	142.5	-177.2	-63	-47.3	0	0	0	111.7	R91 S95 R97 Q199	R91-D93 PolarHBondContact O-N 3.22Å; D93-S95 PolarHBondContact O-N 3.32Å; D93-S95 PolarHBondContact O-OG 2.86Å; D93-R97 PolarHBondContact O-NH2 2.89Å; D93-Q199 HydrophobicContact CB-CG 4.01Å
94	I	97.1	Very high	76.3	Confident	11 Å²	11	77.4 Å²	77.4	6%	0.056	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-66	121.9	175.3	-59.1	173.9	0	0	0	108	L194 D196 Q199 G200 F201	I94-L194 HydrophobicContact CD1-CD1 4.33Å; I94-L194 HydrophobicContact CD1-CG 4.16Å; I94-L194 HydrophobicContact CG2-CB 4.28Å; I94-L194 HydrophobicContact CG2-CD2 3.87Å; I94-L194 HydrophobicContact CG2-CG 3.67Å; I94-L194 WeakPolarHBondContact CG2-O 3.49Å; I94-D196 HydrophobicContact CD1-CB 4.14Å; I94-Q199 PolarHBondContact O-NE2 3.14Å; I94-G200 WeakPolarHBondContact O-CA 3.39Å; I94-F201 HydrophobicContact CG2-CD1 3.96Å; I94-F201 HydrophobicContact CG2-CE1 4.21Å
95	S	98.2	Very high	78.5	Confident	3 Å²	3	70.5 Å²	70.5	2%	0.021	41%	0.409	C	S	.	.			trans	-155.7	165	-174.4	47.7	0	0	0	0	112.1	D93 A103 Q156 F201	D93-S95 PolarHBondContact O-N 3.32Å; D93-S95 PolarHBondContact O-OG 2.86Å; S95-A103 WeakPolarHBondContact OG-CB 3.37Å; S95-Q156 PolarHBondContact O-NE2 3.36Å; S95-F201 WeakPolarHBondContact O-CD1 3.33Å
96	C	98.7	Very high	80.9	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	133.9	161.3	-63.6	0	0	0	0	109.5	A103 V104 F107 C233 V234 T235	C96-A103 WeakPolarHBondContact O-CA 3.48Å; C96-V104 HydrophobicContact CB-CG2 4.09Å; C96-V104 PolarHBondContact O-N 2.88Å; C96-F107 HydrophobicContact CB-CD1 3.78Å; C96-F107 HydrophobicContact CB-CE1 3.77Å; C96-C233 VanDerWaalsContact CA-SG 3.59Å; C96-C233 HydrophobicContact CB-CB 3.92Å; C96-C233 WeakPolarHBondContact CB-SG 3.45Å; C96-C233 WeakPolarHBondContact SG-CB 3.26Å; C96-C233 CovalentContact SG-SG 2.04Å; C96-C233 PolarHBondContact SG-SG 3.17Å; C96-V234 PolarHBondContact SG-N 2.92Å; C96-T235 WeakPolarHBondContact CB-OG1 3.23Å; C96-T235 PolarHBondContact N-OG1 2.01Å
97	R	98.1	Very high	83.7	Confident	34 Å²	34	58.7 Å²	58.7	13%	0.128	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	132.5	-178.8	-59	-83.6	175.4	178.1	-3.8	109.9	S92 D93 G101 E102 F107 A149 N152 T153 Q156	S92-R97 PolarHBondContact OG-NH1 3.29Å; S92-R97 PolarHBondContact OG-NH2 2.83Å; D93-R97 PolarHBondContact O-NH2 2.89Å; R97-G101 WeakPolarHBondContact CD-O 3.37Å; R97-G101 PolarHBondContact NH1-O 3.01Å; R97-E102 CarbonylContact C-O 3.53Å; R97-E102 VanDerWaalsContact CA-O 3.26Å; R97-E102 WeakPolarHBondContact CA-O 3.21Å; R97-F107 WeakPolarHBondContact O-CE1 3.3Å; R97-A149 VanDerWaalsContact O-CA 3.31Å; R97-A149 WeakPolarHBondContact O-CA 3.41Å; R97-A149 WeakPolarHBondContact O-CB 3.37Å; R97-N152 HydrophobicContact CB-CB 3.68Å; R97-N152 HydrophobicContact CG-CB 4.49Å; R97-T153 PolarHBondContact N-OG1 3.07Å; R97-T153 PolarHBondContact O-OG1 3.1Å; R97-Q156 VanDerWaalsContact NE-CD 3.32Å
98	N	97.8	Very high	86.3	Confident	16 Å²	16	49.4 Å²	49.4	9%	0.086	30%	0.299	C	S	.	.			trans	-75.2	-175.8	176.9	72.3	10.5	0	0	0	112.9	A100 G101 E102 V104 Y128 N152	N98-A100 PolarHBondContact O-N 2.93Å; N98-A100 WeakPolarHBondContact OD1-CA 3.26Å; N98-A100 WeakPolarHBondContact OD1-CB 3.39Å; N98-A100 PolarHBondContact OD1-N 3Å; N98-G101 PolarHBondContact O-N 2.89Å; N98-G101 PolarHBondContact OD1-N 3.02Å; N98-E102 PolarHBondContact N-O 3.5Å; N98-E102 PolarHBondContact ND2-OE2 3.35Å; N98-E102 PolarHBondContact OD1-N 3.1Å; N98-V104 HydrophobicContact CB-CG1 3.71Å; N98-V104 HydrophobicContact CB-CG2 4.19Å; N98-Y128 WeakPolarHBondContact CA-OH 3.3Å; N98-Y128 WeakPolarHBondContact CB-OH 3.17Å; N98-N152 PolarHBondContact O-ND2 3.26Å
99	E	97.4	Very high	89.1	Confident	30 Å²	30	43.7 Å²	43.7	14%	0.14	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-26.4	177.5	-63.1	-62.6	154.6	0	0	113.6	Y126 Y128 S139 F141 G148 A149 N152	E99-Y126 WeakPolarHBondContact OE1-CE2 3.48Å; E99-Y126 VanDerWaalsContact OE1-CZ 3.29Å; E99-Y126 PolarHBondContact OE1-OH 2.9Å; E99-Y126 PolarHBondContact OE2-OH 2.88Å; E99-Y128 HydrophobicContact CG-CD1 3.72Å; E99-Y128 HydrophobicContact CG-CD2 4.12Å; E99-Y128 HydrophobicContact CG-CE1 3.75Å; E99-Y128 HydrophobicContact CG-CE2 4.16Å; E99-Y128 HydrophobicContact CG-CG 3.89Å; E99-Y128 VanDerWaalsContact OE1-CD2 3.28Å; E99-Y128 WeakPolarHBondContact OE1-CD2 3.07Å; E99-S139 PolarHBondContact OE2-OG 3.37Å; E99-F141 HydrophobicContact CB-CD2 4.47Å; E99-F141 HydrophobicContact CB-CE2 4.18Å; E99-F141 WeakPolarHBondContact O-CE2 3.23Å; E99-F141 WeakPolarHBondContact OE2-CD2 3.12Å; E99-G148 WeakPolarHBondContact OE2-CA 3Å; E99-A149 HydrophobicContact CG-CB 4.37Å; E99-A149 WeakPolarHBondContact OE1-CB 3.37Å; E99-A149 PolarHBondContact OE1-N 3.21Å; E99-A149 PolarHBondContact OE2-N 3.42Å; E99-N152 PolarHBondContact O-ND2 2.84Å
100	A	96.8	Very high	91.7	Very high	74 Å²	74	36.8 Å²	36.8	61%	0.612	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-5.4	176.5	0	0	0	0	0	113.7	N98 E102	N98-A100 PolarHBondContact O-N 2.93Å; N98-A100 WeakPolarHBondContact OD1-CA 3.26Å; N98-A100 WeakPolarHBondContact OD1-CB 3.39Å; N98-A100 PolarHBondContact OD1-N 3Å; A100-E102 HydrophobicContact CB-CG 4.25Å
101	G	96.4	Very high	94.4	Very high	27 Å²	27	34.3 Å²	34.3	28%	0.278	20%	0.196	S	C	.	.	S	Bend	trans	86.2	8.4	-177.4	0	0	0	0	0	114.3	R97 N98 N152	R97-G101 WeakPolarHBondContact CD-O 3.37Å; R97-G101 PolarHBondContact NH1-O 3.01Å; N98-G101 PolarHBondContact O-N 2.89Å; N98-G101 PolarHBondContact OD1-N 3.02Å; G101-N152 PolarHBondContact N-ND2 2.89Å
102	E	96.8	Very high	96.4	Very high	123 Å²	123	27 Å²	27	58%	0.575	17%	0.169	S	C	*	.			trans	-82.8	150.9	177.2	-55.4	163.4	150.7	0	0	110	R97 N98 A100	R97-E102 CarbonylContact C-O 3.53Å; R97-E102 VanDerWaalsContact CA-O 3.26Å; R97-E102 WeakPolarHBondContact CA-O 3.21Å; N98-E102 PolarHBondContact N-O 3.5Å; N98-E102 PolarHBondContact ND2-OE2 3.35Å; N98-E102 PolarHBondContact OD1-N 3.1Å; A100-E102 HydrophobicContact CB-CG 4.25Å
103	A	97.5	Very high	97.6	Very high	64 Å²	64	23.4 Å²	23.4	53%	0.529	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	136.1	175.8	0	0	0	0	0	110.6	S95 C96	S95-A103 WeakPolarHBondContact OG-CB 3.37Å; C96-A103 WeakPolarHBondContact O-CA 3.48Å
104	V	97.8	Very high	98	Very high	15 Å²	15	23.7 Å²	23.7	9%	0.091	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	155.3	174.5	-70.9	0	0	0	0	110.8	C96 N98 F107 T235	C96-V104 HydrophobicContact CB-CG2 4.09Å; C96-V104 PolarHBondContact O-N 2.88Å; N98-V104 HydrophobicContact CB-CG1 3.71Å; N98-V104 HydrophobicContact CB-CG2 4.19Å; V104-F107 HydrophobicContact CG2-CB 4.5Å; V104-F107 HydrophobicContact CG2-CD1 4.07Å; V104-T235 PolarHBondContact O-OG1 2.75Å
105	D	98.3	Very high	98	Very high	8 Å²	8	26.4 Å²	26.4	4%	0.043	15%	0.152	C	C	.	.	S	Bend	trans	-67.9	-42.8	-178.2	-167.2	57	0	0	0	111.5	S131 T235 S293 V294 S295	D105-S131 PolarHBondContact N-OG 2.75Å; D105-T235 WeakPolarHBondContact O-CB 3.04Å; D105-T235 PolarHBondContact O-N 3.39Å; D105-S293 VanDerWaalsContact CG-CB 3.49Å; D105-S293 VanDerWaalsContact OD1-CB 3.24Å; D105-S293 WeakPolarHBondContact OD1-CB 3.36Å; D105-S293 PolarHBondContact OD1-OG 3.27Å; D105-S293 VanDerWaalsContact OD1-OG 3.07Å; D105-S293 WeakPolarHBondContact OD2-CB 3.3Å; D105-S293 PolarHBondContact OD2-OG 3.1Å; D105-V294 WeakPolarHBondContact OD1-CG2 3.4Å; D105-V294 PolarHBondContact OD1-N 3.5Å; D105-S295 WeakPolarHBondContact CB-OG 3.36Å; D105-S295 WeakPolarHBondContact OD1-CB 3.35Å; D105-S295 PolarHBondContact OD1-N 2.81Å; D105-S295 PolarHBondContact OD1-OG 2.98Å
106	W	98.8	Very high	97.9	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.008	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	158.9	172.2	53.8	-97.6	0	0	0	110.7	I108 L129 D130 S131 C233 V234 D297 F299 I407	W106-I108 HydrophobicContact CE3-CG1 4.33Å; W106-I108 HydrophobicContact CZ3-CG1 4.47Å; W106-L129 HydrophobicContact CH2-CD2 4.39Å; W106-L129 HydrophobicContact CH2-CG 4.26Å; W106-L129 HydrophobicContact CZ3-CD2 4.18Å; W106-L129 HydrophobicContact CZ3-CG 3.98Å; W106-D130 WeakPolarHBondContact CH2-O 3.43Å; W106-D130 VanDerWaalsContact CZ3-C 3.46Å; W106-D130 WeakPolarHBondContact O-CA 3.34Å; W106-D130 WeakPolarHBondContact O-CB 3.21Å; W106-S131 PolarHBondContact O-N 2.92Å; W106-S131 VanDerWaalsContact O-N 3.09Å; W106-C233 CarbonylContact C-O 3.59Å; W106-C233 WeakPolarHBondContact CA-O 3.29Å; W106-C233 WeakPolarHBondContact CB-O 3.14Å; W106-V234 HydrophobicContact CB-CB 4.37Å; W106-V234 HydrophobicContact CB-CG1 4.38Å; W106-V234 HydrophobicContact CB-CG2 4Å; W106-D297 PolarHBondContact NE1-OD2 3.21Å; W106-F299 HydrophobicContact CB-CZ 4.34Å; W106-F299 AromaticContact CD1-CZ 3.95Å; W106-F299 HydrophobicContact CG-CZ 4.11Å; W106-I407 HydrophobicContact CD2-CD1 4.09Å; W106-I407 HydrophobicContact CE3-CD1 3.98Å; W106-I407 HydrophobicContact CE3-CG1 4.4Å; W106-I407 HydrophobicContact CH2-CD1 3.72Å; W106-I407 HydrophobicContact CH2-CG1 3.37Å; W106-I407 HydrophobicContact CZ2-CD1 3.77Å; W106-I407 HydrophobicContact CZ2-CG1 3.77Å; W106-I407 HydrophobicContact CZ3-CD1 3.8Å; W106-I407 HydrophobicContact CZ3-CG1 3.71Å
107	F	98.9	Very high	97.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	158	164.3	71	-102.1	0	0	0	111.7	C96 R97 V104 I109 Y128 L129 D130 A149 T153 L203 C233	C96-F107 HydrophobicContact CB-CD1 3.78Å; C96-F107 HydrophobicContact CB-CE1 3.77Å; R97-F107 WeakPolarHBondContact O-CE1 3.3Å; V104-F107 HydrophobicContact CG2-CB 4.5Å; V104-F107 HydrophobicContact CG2-CD1 4.07Å; F107-I109 HydrophobicContact CD2-CD1 4.28Å; F107-I109 HydrophobicContact CD2-CG1 4.1Å; F107-I109 HydrophobicContact CE2-CD1 3.85Å; F107-I109 HydrophobicContact CE2-CG1 4.13Å; F107-Y128 HydrophobicContact CB-CE2 3.61Å; F107-Y128 WeakPolarHBondContact CB-OH 3.2Å; F107-Y128 AromaticContact CD2-CE2 3.92Å; F107-Y128 HydrophobicContact CD2-CE2 3.92Å; F107-Y128 AromaticContact CG-CE2 3.83Å; F107-Y128 HydrophobicContact CG-CE2 3.83Å; F107-L129 CarbonylContact C-O 3.51Å; F107-L129 VanDerWaalsContact CA-O 3.25Å; F107-L129 WeakPolarHBondContact CA-O 3.34Å; F107-L129 WeakPolarHBondContact CB-O 3.21Å; F107-D130 HydrophobicContact CB-CB 3.81Å; F107-A149 HydrophobicContact CD1-CB 4.43Å; F107-A149 HydrophobicContact CD2-CB 4.31Å; F107-A149 HydrophobicContact CE1-CB 4.35Å; F107-A149 HydrophobicContact CE2-CB 4.24Å; F107-A149 HydrophobicContact CG-CB 4.42Å; F107-A149 HydrophobicContact CZ-CB 4.25Å; F107-T153 VanDerWaalsContact CE1-OG1 3.23Å; F107-T153 WeakPolarHBondContact CE1-OG1 3.35Å; F107-L203 HydrophobicContact CZ-CD1 4.46Å; F107-C233 HydrophobicContact CD1-CB 3.7Å; F107-C233 HydrophobicContact CD2-CB 4.15Å; F107-C233 HydrophobicContact CE1-CB 3.28Å; F107-C233 HydrophobicContact CE2-CB 3.77Å; F107-C233 HydrophobicContact CG-CB 4.1Å; F107-C233 HydrophobicContact CZ-CB 3.32Å; F107-C233 PolarHBondContact N-O 3.23Å; F107-C233 PolarHBondContact O-N 3.36Å
108	I	98.9	Very high	97.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	132.7	174.5	-53.5	177.1	0	0	0	109.2	W106 L129 W136 A231 L232 L383 I407 F411	W106-I108 HydrophobicContact CE3-CG1 4.33Å; W106-I108 HydrophobicContact CZ3-CG1 4.47Å; I108-L129 PolarHBondContact N-O 2.64Å; I108-L129 PolarHBondContact O-N 3.31Å; I108-W136 HydrophobicContact CB-CH2 4.14Å; I108-W136 HydrophobicContact CB-CZ3 4.44Å; I108-W136 HydrophobicContact CG2-CH2 3.7Å; I108-W136 HydrophobicContact CG2-CZ3 4.34Å; I108-A231 CarbonylContact C-O 3.53Å; I108-A231 VanDerWaalsContact CA-O 3.27Å; I108-A231 WeakPolarHBondContact CA-O 3.45Å; I108-L232 HydrophobicContact CD1-CD1 4.1Å; I108-L232 HydrophobicContact CG1-CD1 3.62Å; I108-L383 HydrophobicContact CD1-CD1 4.2Å; I108-L383 HydrophobicContact CG2-CD2 3.96Å; I108-I407 HydrophobicContact CD1-CD1 4.13Å; I108-I407 HydrophobicContact CD1-CG1 4.3Å; I108-I407 HydrophobicContact CD1-CG2 3.5Å; I108-I407 VanDerWaalsContact CD1-CG2 3.5Å; I108-F411 HydrophobicContact CD1-CE2 3.95Å; I108-F411 HydrophobicContact CG2-CE2 4.2Å; I108-F411 HydrophobicContact CG2-CZ 4.08Å
109	I	98.7	Very high	97.6	Very high	2 Å²	2	37 Å²	37	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	133.5	170.1	-73.7	171.9	0	0	0	108.5	F107 Y126 M127 Y128 A149 M150 T230 A231	F107-I109 HydrophobicContact CD2-CD1 4.28Å; F107-I109 HydrophobicContact CD2-CG1 4.1Å; F107-I109 HydrophobicContact CE2-CD1 3.85Å; F107-I109 HydrophobicContact CE2-CG1 4.13Å; I109-Y126 HydrophobicContact CB-CD2 4.3Å; I109-Y126 HydrophobicContact CD1-CD2 4.31Å; I109-Y126 HydrophobicContact CD1-CE2 4.02Å; I109-Y126 HydrophobicContact CG1-CD2 3.92Å; I109-Y126 HydrophobicContact CG1-CE2 3.93Å; I109-Y126 HydrophobicContact CG2-CD2 3.65Å; I109-Y126 HydrophobicContact CG2-CE2 4.41Å; I109-Y126 HydrophobicContact CG2-CG 3.94Å; I109-M127 WeakPolarHBondContact CA-O 3.36Å; I109-Y128 HydrophobicContact CG1-CD2 4Å; I109-A149 HydrophobicContact CD1-CB 4.35Å; I109-M150 HydrophobicContact CD1-CB 3.81Å; I109-M150 HydrophobicContact CD1-CE 4Å; I109-M150 HydrophobicContact CG2-CE 4.47Å; I109-T230 CarbonylContact O-C 3.57Å; I109-T230 VanDerWaalsContact O-CA 3.24Å; I109-T230 WeakPolarHBondContact O-CA 3.42Å; I109-A231 HydrophobicContact CB-CB 4.46Å; I109-A231 PolarHBondContact N-O 3.19Å; I109-A231 PolarHBondContact O-N 3.17Å
110	Y	98.8	Very high	97.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	96	164.8	-154.6	-44.6	0	0	0	108.9	L112 Y126 M127 W136 Q229 T230 T353 L355 F361 D366 S368 W370 F411	Y110-L112 PolarHBondContact O-N 3.1Å; Y110-Y126 CarbonylContact O-C 3.51Å; Y110-Y126 VanDerWaalsContact O-CA 3.3Å; Y110-Y126 WeakPolarHBondContact O-CA 3.33Å; Y110-Y126 WeakPolarHBondContact O-CB 3.42Å; Y110-M127 PolarHBondContact N-O 3.31Å; Y110-M127 PolarHBondContact O-N 2.97Å; Y110-W136 HydrophobicContact CD2-CZ2 4.36Å; Y110-Q229 CarbonylContact C-O 3.59Å; Y110-Q229 WeakPolarHBondContact CA-O 3.24Å; Y110-T230 HydrophobicContact CD1-CG2 4.31Å; Y110-T230 HydrophobicContact CD2-CG2 3.81Å; Y110-T230 HydrophobicContact CE2-CG2 4.05Å; Y110-T230 HydrophobicContact CG-CG2 3.95Å; Y110-T353 HydrophobicContact CE2-CG2 4.36Å; Y110-L355 HydrophobicContact CD1-CD1 3.76Å; Y110-L355 HydrophobicContact CD2-CD1 3.85Å; Y110-L355 HydrophobicContact CD2-CD2 4.31Å; Y110-L355 HydrophobicContact CE1-CD1 4.14Å; Y110-L355 HydrophobicContact CE2-CD1 4.19Å; Y110-L355 HydrophobicContact CG-CD1 3.62Å; Y110-F361 HydrophobicContact CD1-CZ 4.46Å; Y110-F361 HydrophobicContact CE1-CE2 4.01Å; Y110-F361 AromaticContact CE1-CZ 3.61Å; Y110-F361 HydrophobicContact CE1-CZ 3.61Å; Y110-F361 AromaticContact CZ-CZ 3.82Å; Y110-D366 PolarHBondContact OH-OD2 3.31Å; Y110-S368 PolarHBondContact OH-OG 3.38Å; Y110-W370 AromaticContact CE2-NE1 3.54Å; Y110-W370 AromaticContact CZ-NE1 3.81Å; Y110-W370 PolarHBondContact OH-NE1 3.43Å; Y110-F411 HydrophobicContact CD2-CE1 4.4Å; Y110-F411 HydrophobicContact CE2-CE1 4.4Å
111	K	98.6	Very high	97.4	Very high	1 Å²	1	37.7 Å²	37.7	0%	0.004	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	128	173.9	-171.5	-154.1	73	73.6	0	109.8	G123 E125 V143 Y220 G224 R225 N227 G228 Q229	K111-G123 WeakPolarHBondContact CD-O 3.41Å; K111-G123 PolarHBondContact NZ-O 3.37Å; K111-E125 WeakPolarHBondContact CG-O 3.2Å; K111-V143 HydrophobicContact CD-CG1 3.75Å; K111-V143 HydrophobicContact CG-CG1 3.97Å; K111-Y220 HydrophobicContact CD-CE1 4.15Å; K111-Y220 VanDerWaalsContact CD-OH 3.27Å; K111-Y220 WeakPolarHBondContact CD-OH 3.48Å; K111-G224 WeakPolarHBondContact CE-O 3.33Å; K111-G224 PolarHBondContact NZ-O 3.15Å; K111-G224 VanDerWaalsContact NZ-O 3.16Å; K111-R225 PolarHBondContact NZ-O 3.29Å; K111-N227 WeakPolarHBondContact CE-O 3.5Å; K111-N227 PolarHBondContact NZ-O 3.49Å; K111-G228 CarbonylContact O-C 3.54Å; K111-G228 WeakPolarHBondContact O-CA 3.41Å; K111-Q229 HydrophobicContact CB-CB 4.34Å; K111-Q229 PolarHBondContact N-O 3.37Å; K111-Q229 PolarHBondContact O-N 2.86Å
112	L	98.6	Very high	97.4	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-75.2	145.5	-178.6	-59.4	177.1	0	0	0	110.7	Y110 E125 M127 L355 V359 F361	Y110-L112 PolarHBondContact O-N 3.1Å; L112-E125 HydrophobicContact CD1-CB 4.21Å; L112-E125 PolarHBondContact N-O 2.95Å; L112-M127 HydrophobicContact CD2-CG 4.17Å; L112-L355 HydrophobicContact CD2-CB 4.46Å; L112-L355 HydrophobicContact CD2-CD1 3.59Å; L112-V359 HydrophobicContact CD1-CG1 4.33Å; L112-V359 HydrophobicContact CD1-CG2 4.45Å; L112-V359 HydrophobicContact CD2-CG1 4.2Å; L112-F361 HydrophobicContact CD2-CE1 4.14Å
113	P	98.3	Very high	97.5	Very high	0 Å²	0	33 Å²	33	0%	0	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-67	163.2	173.2	25.4	-30.8	0	0	0	112.4	F115 R116 F361 Y365	P113-F115 WeakPolarHBondContact CG-O 3.4Å; P113-R116 HydrophobicContact CG-CG 4.04Å; P113-R116 PolarHBondContact O-NE 3.19Å; P113-R116 PolarHBondContact O-NH2 2.8Å; P113-F361 HydrophobicContact CG-CB 3.59Å; P113-F361 HydrophobicContact CG-CD1 3.8Å; P113-F361 HydrophobicContact CG-CD2 3.78Å; P113-F361 HydrophobicContact CG-CE1 4.45Å; P113-F361 HydrophobicContact CG-CE2 4.42Å; P113-F361 HydrophobicContact CG-CG 3.43Å; P113-F361 VanDerWaalsContact CG-CG 3.43Å; P113-Y365 VanDerWaalsContact CB-O 3.3Å; P113-Y365 WeakPolarHBondContact CB-O 3.43Å
114	K	98.1	Very high	97.5	Very high	87 Å²	87	30.2 Å²	30.2	38%	0.378	18%	0.182	S	C	.	.	S	Bend	trans	-67.5	-46.4	169.5	-179	176.8	179.8	-179.2	0	110.8	V120 G121 H226	K114-V120 HydrophobicContact CG-CG1 4.09Å; K114-V120 CarbonylContact O-C 3.54Å; K114-V120 WeakPolarHBondContact O-CA 3.31Å; K114-G121 PolarHBondContact O-N 3.05Å; K114-H226 PolarHBondContact N-O 2.85Å
115	F	97.2	Very high	97.5	Very high	68 Å²	68	31.3 Å²	31.3	30%	0.298	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	124.6	-179.3	-62.1	-75.2	0	0	0	110.3	P113 V120 H226 Y365	P113-F115 WeakPolarHBondContact CG-O 3.4Å; F115-V120 HydrophobicContact CD1-CG1 4.4Å; F115-V120 HydrophobicContact CD1-CG2 4.2Å; F115-V120 HydrophobicContact CE1-CG1 4.32Å; F115-V120 HydrophobicContact CE1-CG2 4.41Å; F115-H226 AromaticContact CD2-CE1 3.57Å; F115-H226 AromaticContact CD2-ND1 3.84Å; F115-H226 AromaticContact CE2-CE1 3.4Å; F115-H226 VanDerWaalsContact CE2-CE1 3.4Å; F115-H226 WeakPolarHBondContact CE2-CE1 3.2Å; F115-H226 AromaticContact CE2-ND1 3.56Å; F115-Y365 HydrophobicContact CB-CD1 3.88Å; F115-Y365 HydrophobicContact CB-CD2 4.09Å; F115-Y365 HydrophobicContact CB-CE1 3.89Å; F115-Y365 HydrophobicContact CB-CE2 4.09Å; F115-Y365 HydrophobicContact CB-CG 3.98Å; F115-Y365 HydrophobicContact CD2-CD1 4.1Å; F115-Y365 AromaticContact CD2-CE1 3.9Å; F115-Y365 HydrophobicContact CD2-CE1 3.9Å; F115-Y365 HydrophobicContact CG-CD1 4.38Å; F115-Y365 HydrophobicContact CG-CE1 4.11Å
116	R	96.6	Very high	97.6	Very high	20 Å²	20	31.1 Å²	31.1	8%	0.075	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	164.4	-178.3	-59.5	159.1	-172.9	177	13.5	108	P113 G118 E119 E125 V359 R360 F361	P113-R116 HydrophobicContact CG-CG 4.04Å; P113-R116 PolarHBondContact O-NE 3.19Å; P113-R116 PolarHBondContact O-NH2 2.8Å; R116-G118 PolarHBondContact O-N 2.81Å; R116-E119 CarbonylContact C-O 3.5Å; R116-E119 HydrophobicContact CB-CG 3.75Å; R116-E119 WeakPolarHBondContact CB-O 3.17Å; R116-E119 WeakPolarHBondContact CD-OE1 3.24Å; R116-E119 HydrophobicContact CG-CG 4.42Å; R116-E119 IonicContact CZ-OE1 2.63Å; R116-E119 PolarHBondContact N-O 3.11Å; R116-E119 VanDerWaalsContact N-O 3.1Å; R116-E119 IonicContact NE-OE1 3.79Å; R116-E119 IonicContact NH1-OE1 3.59Å; R116-E119 PolarHBondContact NH1-OE1 3.13Å; R116-E119 PolarHBondContact O-N 2.76Å; R116-E125 IonicContact CZ-OE2 3.04Å; R116-E125 IonicContact NH1-OE2 3.18Å; R116-E125 IonicContact NH2-OE2 2.79Å; R116-E125 PolarHBondContact NH2-OE2 2.97Å; R116-V359 HydrophobicContact CG-CG1 4.09Å; R116-R360 WeakPolarHBondContact CA-O 3.38Å; R116-R360 WeakPolarHBondContact CB-O 2.9Å; R116-F361 HydrophobicContact CG-CB 4.46Å
117	I	96.9	Very high	97.5	Very high	82 Å²	82	31.1 Å²	31.1	42%	0.421	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	119.6	178.2	-62.4	171.8	0	0	0	108.1	E119 R352 R360 E362	I117-E119 VanDerWaalsContact C-N 3.29Å; I117-E119 PolarHBondContact O-N 3.22Å; I117-R352 HydrophobicContact CD1-CG 4.02Å; I117-R360 HydrophobicContact CB-CB 4.21Å; I117-R360 HydrophobicContact CD1-CB 4.05Å; I117-R360 PolarHBondContact N-O 3.28Å; I117-E362 HydrophobicContact CD1-CG 4.37Å; I117-E362 WeakPolarHBondContact CD1-OE1 3.35Å
118	G	95.3	Very high	97.5	Very high	88 Å²	88	31.7 Å²	31.7	91%	0.907	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.3	-4.5	179.5	0	0	0	0	0	115.4	R116	R116-G118 PolarHBondContact O-N 2.81Å
119	E	94.3	Very high	97.5	Very high	85 Å²	85	31.7 Å²	31.7	40%	0.397	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	155.1	178.2	69.7	172.3	-164.7	0	0	113.6	R116 I117	R116-E119 CarbonylContact C-O 3.5Å; R116-E119 HydrophobicContact CB-CG 3.75Å; R116-E119 WeakPolarHBondContact CB-O 3.17Å; R116-E119 WeakPolarHBondContact CD-OE1 3.24Å; R116-E119 HydrophobicContact CG-CG 4.42Å; R116-E119 IonicContact CZ-OE1 2.63Å; R116-E119 PolarHBondContact N-O 3.11Å; R116-E119 VanDerWaalsContact N-O 3.1Å; R116-E119 IonicContact NE-OE1 3.79Å; R116-E119 IonicContact NH1-OE1 3.59Å; R116-E119 PolarHBondContact NH1-OE1 3.13Å; R116-E119 PolarHBondContact O-N 2.76Å; I117-E119 VanDerWaalsContact C-N 3.29Å; I117-E119 PolarHBondContact O-N 3.22Å
120	V	96.4	Very high	97.5	Very high	103 Å²	103	32.1 Å²	32.1	62%	0.624	19%	0.19	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-113	109.5	168.7	-177.6	0	0	0	0	108.2	K114 F115	K114-V120 HydrophobicContact CG-CG1 4.09Å; K114-V120 CarbonylContact O-C 3.54Å; K114-V120 WeakPolarHBondContact O-CA 3.31Å; F115-V120 HydrophobicContact CD1-CG1 4.4Å; F115-V120 HydrophobicContact CD1-CG2 4.2Å; F115-V120 HydrophobicContact CE1-CG1 4.32Å; F115-V120 HydrophobicContact CE1-CG2 4.41Å
121	G	95.1	Very high	97.3	Very high	16 Å²	16	34.7 Å²	34.7	17%	0.165	21%	0.208	C	C	.	.			trans	-86.5	-178.1	179.3	0	0	0	0	0	113.5	K114 G123	K114-G121 PolarHBondContact O-N 3.05Å; G121-G123 VanDerWaalsContact C-N 3.28Å; G121-G123 PolarHBondContact O-N 3.09Å
122	S	96.6	Very high	97	Very high	52 Å²	52	38.9 Å²	38.9	36%	0.364	24%	0.242	S	C	.	.			trans	-73.5	-23.2	177.9	70.8	0	0	0	0	113	V124 E125	S122-V124 PolarHBondContact O-N 3.37Å; S122-V124 VanDerWaalsContact OG-CG2 3.25Å; S122-V124 WeakPolarHBondContact OG-CG2 3.31Å; S122-V124 PolarHBondContact OG-N 2.99Å; S122-E125 PolarHBondContact N-OE2 3.18Å; S122-E125 VanDerWaalsContact N-OE2 3.12Å; S122-E125 WeakPolarHBondContact OG-CG 3.31Å; S122-E125 PolarHBondContact OG-OE2 2.78Å; S122-E125 VanDerWaalsContact OG-OE2 3.1Å
123	G	97.7	Very high	96.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	25%	0.246	C	C	.	.	S	Bend	trans	76.5	5.7	-174.3	0	0	0	0	0	114.6	K111 G121 R225	K111-G123 WeakPolarHBondContact CD-O 3.41Å; K111-G123 PolarHBondContact NZ-O 3.37Å; G121-G123 VanDerWaalsContact C-N 3.28Å; G121-G123 PolarHBondContact O-N 3.09Å; G123-R225 WeakPolarHBondContact CA-O 3.33Å; G123-R225 WeakPolarHBondContact O-CA 3.5Å
124	V	98.3	Very high	95.8	Very high	6 Å²	6	42.3 Å²	42.3	4%	0.036	28%	0.276	C	S	.	.			trans	-122	-2.7	176.7	-64.9	0	0	0	0	113.4	S122 M142 V143 N144 R225	S122-V124 PolarHBondContact O-N 3.37Å; S122-V124 VanDerWaalsContact OG-CG2 3.25Å; S122-V124 WeakPolarHBondContact OG-CG2 3.31Å; S122-V124 PolarHBondContact OG-N 2.99Å; V124-M142 HydrophobicContact CB-CB 4.22Å; V124-M142 HydrophobicContact CG2-CB 3.92Å; V124-M142 HydrophobicContact CG2-CG 4.13Å; V124-M142 HydrophobicContact CG2-SD 3.69Å; V124-M142 CarbonylContact O-C 3.44Å; V124-M142 WeakPolarHBondContact O-CA 3.49Å; V124-V143 HydrophobicContact CB-CG1 4.15Å; V124-V143 HydrophobicContact CG1-CG1 4.43Å; V124-V143 PolarHBondContact O-N 3.05Å; V124-N144 WeakPolarHBondContact CB-OD1 3.34Å; V124-N144 HydrophobicContact CG1-CB 4.12Å; V124-N144 WeakPolarHBondContact CG2-OD1 3.29Å; V124-R225 HydrophobicContact CG1-CG 3.75Å
125	E	98.1	Very high	95.6	Very high	38 Å²	38	41.5 Å²	41.5	18%	0.178	28%	0.282	C	S	.	.			trans	-70.8	150.1	169.5	-62	151	106.4	0	0	110.5	K111 L112 R116 S122 R138	K111-E125 WeakPolarHBondContact CG-O 3.2Å; L112-E125 HydrophobicContact CD1-CB 4.21Å; L112-E125 PolarHBondContact N-O 2.95Å; R116-E125 IonicContact CZ-OE2 3.04Å; R116-E125 IonicContact NH1-OE2 3.18Å; R116-E125 IonicContact NH2-OE2 2.79Å; R116-E125 PolarHBondContact NH2-OE2 2.97Å; S122-E125 PolarHBondContact N-OE2 3.18Å; S122-E125 VanDerWaalsContact N-OE2 3.12Å; S122-E125 WeakPolarHBondContact OG-CG 3.31Å; S122-E125 PolarHBondContact OG-OE2 2.78Å; S122-E125 VanDerWaalsContact OG-OE2 3.1Å; E125-R138 IonicContact OE1-CZ 3.75Å; E125-R138 IonicContact OE1-NH2 2.63Å; E125-R138 PolarHBondContact OE1-NH2 3.2Å
126	Y	98.6	Very high	95.6	Very high	3 Å²	3	39.1 Å²	39.1	1%	0.012	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	154.6	179.1	67.3	-85.1	0	0	0	113.4	E99 I109 Y110 Y128 S139 F141 V143	E99-Y126 WeakPolarHBondContact OE1-CE2 3.48Å; E99-Y126 VanDerWaalsContact OE1-CZ 3.29Å; E99-Y126 PolarHBondContact OE1-OH 2.9Å; E99-Y126 PolarHBondContact OE2-OH 2.88Å; I109-Y126 HydrophobicContact CB-CD2 4.3Å; I109-Y126 HydrophobicContact CD1-CD2 4.31Å; I109-Y126 HydrophobicContact CD1-CE2 4.02Å; I109-Y126 HydrophobicContact CG1-CD2 3.92Å; I109-Y126 HydrophobicContact CG1-CE2 3.93Å; I109-Y126 HydrophobicContact CG2-CD2 3.65Å; I109-Y126 HydrophobicContact CG2-CE2 4.41Å; I109-Y126 HydrophobicContact CG2-CG 3.94Å; Y110-Y126 CarbonylContact O-C 3.51Å; Y110-Y126 VanDerWaalsContact O-CA 3.3Å; Y110-Y126 WeakPolarHBondContact O-CA 3.33Å; Y110-Y126 WeakPolarHBondContact O-CB 3.42Å; Y126-Y128 HydrophobicContact CE2-CD2 4.39Å; Y126-S139 PolarHBondContact O-N 2.78Å; Y126-S139 PolarHBondContact OH-OG 2.96Å; Y126-F141 HydrophobicContact CE1-CB 4.41Å; Y126-F141 WeakPolarHBondContact CE1-O 3.28Å; Y126-V143 HydrophobicContact CD1-CB 4.02Å; Y126-V143 HydrophobicContact CE1-CB 4.4Å
127	M	98.6	Very high	95.6	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.01	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	144.8	166.1	-54.7	-56	-70	0	0	109.4	I109 Y110 L112 W136 R137 R138 L355 P356	I109-M127 WeakPolarHBondContact CA-O 3.36Å; Y110-M127 PolarHBondContact N-O 3.31Å; Y110-M127 PolarHBondContact O-N 2.97Å; L112-M127 HydrophobicContact CD2-CG 4.17Å; M127-W136 HydrophobicContact CB-CD2 4.23Å; M127-W136 HydrophobicContact CB-CE3 3.71Å; M127-W136 HydrophobicContact CB-CZ3 4.28Å; M127-W136 HydrophobicContact CE-CB 3.95Å; M127-R137 CarbonylContact C-O 3.58Å; M127-R137 WeakPolarHBondContact CA-O 3.31Å; M127-R138 HydrophobicContact CE-CB 4.21Å; M127-R138 HydrophobicContact SD-CB 3.92Å; M127-R138 HydrophobicContact SD-CG 4.17Å; M127-L355 HydrophobicContact CG-CB 4.12Å; M127-L355 HydrophobicContact CG-CD1 3.92Å; M127-L355 HydrophobicContact CG-CG 4.49Å; M127-P356 HydrophobicContact CE-CB 4.11Å; M127-P356 HydrophobicContact CE-CG 4.5Å; M127-P356 VanDerWaalsContact CE-O 3.31Å; M127-P356 WeakPolarHBondContact CE-O 3.41Å
128	Y	98.6	Very high	95.6	Very high	12 Å²	12	47.9 Å²	47.9	5%	0.047	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	140.9	-176.9	-177.4	-106.6	0	0	0	110.4	N98 E99 F107 I109 Y126 D130 R137 A149	N98-Y128 WeakPolarHBondContact CA-OH 3.3Å; N98-Y128 WeakPolarHBondContact CB-OH 3.17Å; E99-Y128 HydrophobicContact CG-CD1 3.72Å; E99-Y128 HydrophobicContact CG-CD2 4.12Å; E99-Y128 HydrophobicContact CG-CE1 3.75Å; E99-Y128 HydrophobicContact CG-CE2 4.16Å; E99-Y128 HydrophobicContact CG-CG 3.89Å; E99-Y128 VanDerWaalsContact OE1-CD2 3.28Å; E99-Y128 WeakPolarHBondContact OE1-CD2 3.07Å; F107-Y128 HydrophobicContact CB-CE2 3.61Å; F107-Y128 WeakPolarHBondContact CB-OH 3.2Å; F107-Y128 AromaticContact CD2-CE2 3.92Å; F107-Y128 HydrophobicContact CD2-CE2 3.92Å; F107-Y128 AromaticContact CG-CE2 3.83Å; F107-Y128 HydrophobicContact CG-CE2 3.83Å; I109-Y128 HydrophobicContact CG1-CD2 4Å; Y126-Y128 HydrophobicContact CE2-CD2 4.39Å; Y128-D130 HydrophobicContact CE1-CB 3.82Å; Y128-D130 VanDerWaalsContact CE1-OD2 3.31Å; Y128-D130 WeakPolarHBondContact CE1-OD2 3.4Å; Y128-D130 WeakPolarHBondContact OH-CB 3.41Å; Y128-D130 PolarHBondContact OH-OD2 3.23Å; Y128-R137 PolarHBondContact N-O 3.44Å; Y128-R137 PolarHBondContact O-N 3.03Å; Y128-A149 HydrophobicContact CD2-CB 4.08Å; Y128-A149 HydrophobicContact CE2-CB 3.36Å
129	L	98.4	Very high	95.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	135.2	173.8	179.7	71.3	0	0	0	107.5	W106 F107 I108 A133 S135 W136 V406 I407 A410	W106-L129 HydrophobicContact CH2-CD2 4.39Å; W106-L129 HydrophobicContact CH2-CG 4.26Å; W106-L129 HydrophobicContact CZ3-CD2 4.18Å; W106-L129 HydrophobicContact CZ3-CG 3.98Å; F107-L129 CarbonylContact C-O 3.51Å; F107-L129 VanDerWaalsContact CA-O 3.25Å; F107-L129 WeakPolarHBondContact CA-O 3.34Å; F107-L129 WeakPolarHBondContact CB-O 3.21Å; I108-L129 PolarHBondContact N-O 2.64Å; I108-L129 PolarHBondContact O-N 3.31Å; L129-A133 HydrophobicContact CD1-CB 4.16Å; L129-S135 VanDerWaalsContact CD1-C 3.45Å; L129-S135 WeakPolarHBondContact CD1-O 3.34Å; L129-W136 HydrophobicContact CB-CD2 4.36Å; L129-W136 HydrophobicContact CB-CE3 3.63Å; L129-W136 HydrophobicContact CB-CH2 4.25Å; L129-W136 HydrophobicContact CB-CZ3 3.56Å; L129-V406 HydrophobicContact CD1-CG1 4.03Å; L129-I407 HydrophobicContact CD2-CG1 4.4Å; L129-A410 HydrophobicContact CD2-CB 3.75Å
130	D	97.8	Very high	95.9	Very high	12 Å²	12	49.1 Å²	49.1	6%	0.064	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	178.3	174.1	65.8	12.2	0	0	0	110.8	W106 F107 Y128 A132 A133	W106-D130 WeakPolarHBondContact CH2-O 3.43Å; W106-D130 VanDerWaalsContact CZ3-C 3.46Å; W106-D130 WeakPolarHBondContact O-CA 3.34Å; W106-D130 WeakPolarHBondContact O-CB 3.21Å; F107-D130 HydrophobicContact CB-CB 3.81Å; Y128-D130 HydrophobicContact CE1-CB 3.82Å; Y128-D130 VanDerWaalsContact CE1-OD2 3.31Å; Y128-D130 WeakPolarHBondContact CE1-OD2 3.4Å; Y128-D130 WeakPolarHBondContact OH-CB 3.41Å; Y128-D130 PolarHBondContact OH-OD2 3.23Å; D130-A132 PolarHBondContact O-N 2.73Å; D130-A132 VanDerWaalsContact O-N 3.13Å; D130-A132 PolarHBondContact OD1-N 2.99Å; D130-A133 PolarHBondContact O-N 2.81Å; D130-A133 VanDerWaalsContact O-N 3.11Å; D130-A133 WeakPolarHBondContact OD1-CB 3.36Å; D130-A133 PolarHBondContact OD1-N 3.03Å
131	S	95.9	Very high	96	Very high	54 Å²	54	45.7 Å²	45.7	38%	0.378	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-17.6	179.4	59.9	0	0	0	0	114.3	D105 W106	D105-S131 PolarHBondContact N-OG 2.75Å; W106-S131 PolarHBondContact O-N 2.92Å; W106-S131 VanDerWaalsContact O-N 3.09Å
132	A	92.1	Very high	96.1	Very high	88 Å²	88	49.1 Å²	49.1	73%	0.727	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	-19.7	176.8	0	0	0	0	0	112.9	D130	D130-A132 PolarHBondContact O-N 2.73Å; D130-A132 VanDerWaalsContact O-N 3.13Å; D130-A132 PolarHBondContact OD1-N 2.99Å
133	A	84.6	Confident	96.2	Very high	11 Å²	11	46.8 Å²	46.8	9%	0.091	25%	0.253	C	S	.	.			trans	-88.6	130.7	-177	0	0	0	0	0	112	L129 D130 S135 V406	L129-A133 HydrophobicContact CD1-CB 4.16Å; D130-A133 PolarHBondContact O-N 2.81Å; D130-A133 VanDerWaalsContact O-N 3.11Å; D130-A133 WeakPolarHBondContact OD1-CB 3.36Å; D130-A133 PolarHBondContact OD1-N 3.03Å; A133-S135 VanDerWaalsContact C-N 3.34Å; A133-S135 PolarHBondContact O-N 3.11Å; A133-V406 VanDerWaalsContact O-CG1 3.31Å; A133-V406 WeakPolarHBondContact O-CG1 3.21Å
134	G	85.9	Confident	96.2	Very high	61 Å²	61	49.5 Å²	49.5	63%	0.629	27%	0.268	S	S	*	.	S	Bend	trans	-79.6	-6.9	177.4	0	0	0	0	0	115.9
135	S	93.8	Very high	96.2	Very high	71 Å²	71	51.2 Å²	51.2	50%	0.497	28%	0.279	S	S	.	.	S	Bend	trans	-166.9	168.4	-179.5	64.1	0	0	0	0	112	L129 A133 R137	L129-S135 VanDerWaalsContact CD1-C 3.45Å; L129-S135 WeakPolarHBondContact CD1-O 3.34Å; A133-S135 VanDerWaalsContact C-N 3.34Å; A133-S135 PolarHBondContact O-N 3.11Å; S135-R137 WeakPolarHBondContact O-CG 3.19Å; S135-R137 PolarHBondContact O-N 2.91Å
136	W	97.6	Very high	96.1	Very high	17 Å²	17	53.9 Å²	53.9	6%	0.064	30%	0.298	C	S	.	.			trans	-50.6	134.3	169.8	-71.8	124	0	0	0	112.4	I108 Y110 M127 L129 L355 P356 A410 F411	I108-W136 HydrophobicContact CB-CH2 4.14Å; I108-W136 HydrophobicContact CB-CZ3 4.44Å; I108-W136 HydrophobicContact CG2-CH2 3.7Å; I108-W136 HydrophobicContact CG2-CZ3 4.34Å; Y110-W136 HydrophobicContact CD2-CZ2 4.36Å; M127-W136 HydrophobicContact CB-CD2 4.23Å; M127-W136 HydrophobicContact CB-CE3 3.71Å; M127-W136 HydrophobicContact CB-CZ3 4.28Å; M127-W136 HydrophobicContact CE-CB 3.95Å; L129-W136 HydrophobicContact CB-CD2 4.36Å; L129-W136 HydrophobicContact CB-CE3 3.63Å; L129-W136 HydrophobicContact CB-CH2 4.25Å; L129-W136 HydrophobicContact CB-CZ3 3.56Å; W136-L355 HydrophobicContact CG-CD2 4.47Å; W136-P356 HydrophobicContact CB-CG 4.15Å; W136-A410 HydrophobicContact CD2-CB 4.42Å; W136-A410 HydrophobicContact CG-CB 4.36Å; W136-A410 HydrophobicContact CZ2-CB 4.41Å; W136-A410 PolarHBondContact NE1-O 3.28Å; W136-F411 AromaticContact CH2-CE2 3.95Å; W136-F411 HydrophobicContact CH2-CE2 3.95Å; W136-F411 HydrophobicContact CH2-CZ 4.08Å; W136-F411 HydrophobicContact CZ2-CD2 4.01Å; W136-F411 HydrophobicContact CZ2-CE1 4.43Å; W136-F411 AromaticContact CZ2-CE2 3.56Å; W136-F411 HydrophobicContact CZ2-CE2 3.56Å; W136-F411 AromaticContact CZ2-CZ 3.8Å; W136-F411 HydrophobicContact CZ2-CZ 3.8Å
137	R	96.8	Very high	96	Very high	167 Å²	167	59.1 Å²	59.1	63%	0.63	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.7	138.6	172.9	-55.7	175.7	77.2	-171.9	4.8	108.7	M127 Y128 S135 S139	M127-R137 CarbonylContact C-O 3.58Å; M127-R137 WeakPolarHBondContact CA-O 3.31Å; Y128-R137 PolarHBondContact N-O 3.44Å; Y128-R137 PolarHBondContact O-N 3.03Å; S135-R137 WeakPolarHBondContact O-CG 3.19Å; S135-R137 PolarHBondContact O-N 2.91Å; R137-S139 PolarHBondContact O-N 2.97Å
138	R	97.2	Very high	96	Very high	120 Å²	120	59 Å²	59	45%	0.453	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	127	171.7	-168.8	171.5	-173.2	158.1	-2.8	108.2	E125 M127	E125-R138 IonicContact OE1-CZ 3.75Å; E125-R138 IonicContact OE1-NH2 2.63Å; E125-R138 PolarHBondContact OE1-NH2 3.2Å; M127-R138 HydrophobicContact CE-CB 4.21Å; M127-R138 HydrophobicContact SD-CB 3.92Å; M127-R138 HydrophobicContact SD-CG 4.17Å
139	S	97.9	Very high	95.9	Very high	20 Å²	20	58.5 Å²	58.5	14%	0.14	32%	0.319	C	S	.	.			trans	-68.7	147.4	176.2	-174.6	0	0	0	0	110.6	E99 Y126 R137 F141	E99-S139 PolarHBondContact OE2-OG 3.37Å; Y126-S139 PolarHBondContact O-N 2.78Å; Y126-S139 PolarHBondContact OH-OG 2.96Å; R137-S139 PolarHBondContact O-N 2.97Å; S139-F141 VanDerWaalsContact C-N 3.29Å; S139-F141 PolarHBondContact OG-N 2.82Å
140	K	97.1	Very high	95.9	Very high	179 Å²	179	58.7 Å²	58.7	78%	0.778	32%	0.32	S	S	*	.	S	Bend	trans	-79.4	-16.9	168.2	67.5	-179.3	-175	177.5	0	112.3
141	F	98.3	Very high	96	Very high	30 Å²	30	58.1 Å²	58.1	13%	0.132	32%	0.317	C	S	.	.	S	Bend	trans	-97.3	165.1	178.5	-56	-77.7	0	0	0	110.8	E99 Y126 S139 E147	E99-F141 HydrophobicContact CB-CD2 4.47Å; E99-F141 HydrophobicContact CB-CE2 4.18Å; E99-F141 WeakPolarHBondContact O-CE2 3.23Å; E99-F141 WeakPolarHBondContact OE2-CD2 3.12Å; Y126-F141 HydrophobicContact CE1-CB 4.41Å; Y126-F141 WeakPolarHBondContact CE1-O 3.28Å; S139-F141 VanDerWaalsContact C-N 3.29Å; S139-F141 PolarHBondContact OG-N 2.82Å; F141-E147 HydrophobicContact CD1-CB 3.52Å; F141-E147 HydrophobicContact CE1-CB 3.48Å; F141-E147 VanDerWaalsContact CE1-CB 3.48Å; F141-E147 HydrophobicContact CE1-CG 4.21Å; F141-E147 HydrophobicContact CG-CB 4.32Å; F141-E147 HydrophobicContact CZ-CB 4.21Å
142	M	98.3	Very high	96.1	Very high	88 Å²	88	57.3 Å²	57.3	43%	0.433	31%	0.309	S	S	.	.			trans	-107.8	146.8	171.9	-57.1	-178.2	-177	0	0	108.9	V124 N144 T145	V124-M142 HydrophobicContact CB-CB 4.22Å; V124-M142 HydrophobicContact CG2-CB 3.92Å; V124-M142 HydrophobicContact CG2-CG 4.13Å; V124-M142 HydrophobicContact CG2-SD 3.69Å; V124-M142 CarbonylContact O-C 3.44Å; V124-M142 WeakPolarHBondContact O-CA 3.49Å; M142-N144 WeakPolarHBondContact CB-OD1 3.49Å; M142-N144 PolarHBondContact O-N 3.04Å; M142-T145 HydrophobicContact CB-CG2 4.14Å; M142-T145 PolarHBondContact O-N 3.38Å; M142-T145 PolarHBondContact O-OG1 3.1Å
143	V	98.3	Very high	96.4	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.018	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-12.3	-177.4	78.6	0	0	0	0	112.7	K111 V124 Y126 M150 Y218 Y220	K111-V143 HydrophobicContact CD-CG1 3.75Å; K111-V143 HydrophobicContact CG-CG1 3.97Å; V124-V143 HydrophobicContact CB-CG1 4.15Å; V124-V143 HydrophobicContact CG1-CG1 4.43Å; V124-V143 PolarHBondContact O-N 3.05Å; Y126-V143 HydrophobicContact CD1-CB 4.02Å; Y126-V143 HydrophobicContact CE1-CB 4.4Å; V143-M150 HydrophobicContact CG2-CE 4.04Å; V143-M150 HydrophobicContact CG2-SD 3.82Å; V143-Y218 WeakPolarHBondContact O-CE1 3.17Å; V143-Y218 PolarHBondContact O-OH 2.82Å; V143-Y220 HydrophobicContact CB-CD2 4.27Å; V143-Y220 HydrophobicContact CB-CE2 4.15Å; V143-Y220 HydrophobicContact CG1-CD1 3.86Å; V143-Y220 HydrophobicContact CG1-CD2 3.81Å; V143-Y220 HydrophobicContact CG1-CE1 3.67Å; V143-Y220 HydrophobicContact CG1-CE2 3.63Å; V143-Y220 HydrophobicContact CG1-CG 3.92Å; V143-Y220 HydrophobicContact CG2-CD2 3.73Å; V143-Y220 HydrophobicContact CG2-CE2 3.45Å; V143-Y220 VanDerWaalsContact CG2-CE2 3.45Å; V143-Y220 WeakPolarHBondContact O-CB 3.27Å; V143-Y220 WeakPolarHBondContact O-CD2 3.34Å
144	N	97.9	Very high	97	Very high	57 Å²	57	52.6 Å²	52.6	31%	0.305	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	6.4	175.5	71.6	-46.3	0	0	0	114.4	V124 M142 Y220	V124-N144 WeakPolarHBondContact CB-OD1 3.34Å; V124-N144 HydrophobicContact CG1-CB 4.12Å; V124-N144 WeakPolarHBondContact CG2-OD1 3.29Å; M142-N144 WeakPolarHBondContact CB-OD1 3.49Å; M142-N144 PolarHBondContact O-N 3.04Å; N144-Y220 HydrophobicContact CB-CG 4.34Å
145	T	97.4	Very high	97.6	Very high	43 Å²	43	50.5 Å²	50.5	26%	0.264	24%	0.244	S	C	.	.	S	Bend	trans	-88.5	160.1	172.1	57.3	0	0	0	0	111.3	M142 E147 Y218	M142-T145 HydrophobicContact CB-CG2 4.14Å; M142-T145 PolarHBondContact O-N 3.38Å; M142-T145 PolarHBondContact O-OG1 3.1Å; T145-E147 PolarHBondContact O-N 3.12Å; T145-E147 PolarHBondContact OG1-O 3.2Å; T145-Y218 WeakPolarHBondContact O-CD1 3.34Å; T145-Y218 WeakPolarHBondContact O-CE1 3.49Å
146	T	96.6	Very high	97.7	Very high	94 Å²	94	48.6 Å²	48.6	58%	0.577	23%	0.228	S	C	*	.	S	Bend	trans	-80.4	8.6	174.7	50.5	0	0	0	0	113.5	A151 N155	T146-A151 WeakPolarHBondContact O-CB 3.22Å; T146-N155 PolarHBondContact O-ND2 2.99Å
147	E	96.6	Very high	97.7	Very high	113 Å²	113	47.8 Å²	47.8	53%	0.528	23%	0.225	S	C	.	.			trans	-118	167.3	176.3	-60	178.8	105	0	0	110.4	F141 T145	F141-E147 HydrophobicContact CD1-CB 3.52Å; F141-E147 HydrophobicContact CE1-CB 3.48Å; F141-E147 VanDerWaalsContact CE1-CB 3.48Å; F141-E147 HydrophobicContact CE1-CG 4.21Å; F141-E147 HydrophobicContact CG-CB 4.32Å; F141-E147 HydrophobicContact CZ-CB 4.21Å; T145-E147 PolarHBondContact O-N 3.12Å; T145-E147 PolarHBondContact OG1-O 3.2Å
148	G	98.1	Very high	97.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	90.7	170	-178.4	0	0	0	0	0	113.5	E99 M150 A151 N152	E99-G148 WeakPolarHBondContact OE2-CA 3Å; G148-M150 VanDerWaalsContact C-N 3.34Å; G148-M150 PolarHBondContact O-N 3.12Å; G148-A151 PolarHBondContact O-N 2.93Å; G148-A151 VanDerWaalsContact O-N 3.1Å; G148-N152 WeakPolarHBondContact O-CB 3.45Å; G148-N152 PolarHBondContact O-N 2.96Å; G148-N152 PolarHBondContact O-ND2 3.49Å
149	A	98.3	Very high	97.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-56.8	-42.3	-164.2	0	0	0	0	0	113.9	R97 E99 F107 I109 Y128 T153	R97-A149 VanDerWaalsContact O-CA 3.31Å; R97-A149 WeakPolarHBondContact O-CA 3.41Å; R97-A149 WeakPolarHBondContact O-CB 3.37Å; E99-A149 HydrophobicContact CG-CB 4.37Å; E99-A149 WeakPolarHBondContact OE1-CB 3.37Å; E99-A149 PolarHBondContact OE1-N 3.21Å; E99-A149 PolarHBondContact OE2-N 3.42Å; F107-A149 HydrophobicContact CD1-CB 4.43Å; F107-A149 HydrophobicContact CD2-CB 4.31Å; F107-A149 HydrophobicContact CE1-CB 4.35Å; F107-A149 HydrophobicContact CE2-CB 4.24Å; F107-A149 HydrophobicContact CG-CB 4.42Å; F107-A149 HydrophobicContact CZ-CB 4.25Å; I109-A149 HydrophobicContact CD1-CB 4.35Å; Y128-A149 HydrophobicContact CD2-CB 4.08Å; Y128-A149 HydrophobicContact CE2-CB 3.36Å; A149-T153 VanDerWaalsContact O-CB 3.27Å; A149-T153 WeakPolarHBondContact O-CB 3.07Å; A149-T153 PolarHBondContact O-N 2.56Å; A149-T153 PolarHBondContact O-OG1 3.13Å
150	M	98.3	Very high	96.4	Very high	4 Å²	4	44.1 Å²	44.1	2%	0.02	24%	0.236	C	C	.	.	H	α-helix	trans	-65.4	-44.8	178.9	-164.7	178.9	-76.1	0	0	112.1	I109 V143 G148 L154 F210 Y218 Y220 A231	I109-M150 HydrophobicContact CD1-CB 3.81Å; I109-M150 HydrophobicContact CD1-CE 4Å; I109-M150 HydrophobicContact CG2-CE 4.47Å; V143-M150 HydrophobicContact CG2-CE 4.04Å; V143-M150 HydrophobicContact CG2-SD 3.82Å; G148-M150 VanDerWaalsContact C-N 3.34Å; G148-M150 PolarHBondContact O-N 3.12Å; M150-L154 HydrophobicContact CG-CD1 4.49Å; M150-L154 WeakPolarHBondContact O-CG 3.41Å; M150-L154 PolarHBondContact O-N 2.91Å; M150-L154 VanDerWaalsContact O-N 3.12Å; M150-F210 HydrophobicContact CG-CE1 4.44Å; M150-F210 HydrophobicContact CG-CZ 3.95Å; M150-F210 HydrophobicContact SD-CE1 3.69Å; M150-F210 HydrophobicContact SD-CE2 4.13Å; M150-F210 HydrophobicContact SD-CZ 3.34Å; M150-F210 WeakPolarHBondContact SD-CZ 3.21Å; M150-Y218 HydrophobicContact CB-CE2 4.38Å; M150-Y218 HydrophobicContact CG-CE2 3.97Å; M150-Y218 HydrophobicContact SD-CE2 4.4Å; M150-Y218 PolarHBondContact SD-OH 3.13Å; M150-Y218 VanDerWaalsContact SD-OH 3.36Å; M150-Y220 HydrophobicContact SD-CE2 4.34Å; M150-A231 HydrophobicContact CE-CB 3.71Å
151	A	98.2	Very high	95.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-69.6	-44.4	178.7	0	0	0	0	0	111.3	T146 G148 T153 L154 N155 Y218	T146-A151 WeakPolarHBondContact O-CB 3.22Å; G148-A151 PolarHBondContact O-N 2.93Å; G148-A151 VanDerWaalsContact O-N 3.1Å; A151-T153 VanDerWaalsContact C-N 3.29Å; A151-T153 PolarHBondContact O-N 3.33Å; A151-L154 PolarHBondContact O-N 3.25Å; A151-N155 WeakPolarHBondContact O-CB 3.25Å; A151-N155 PolarHBondContact O-N 2.76Å; A151-N155 PolarHBondContact O-ND2 2.97Å; A151-Y218 HydrophobicContact CB-CD1 3.96Å; A151-Y218 HydrophobicContact CB-CD2 4Å; A151-Y218 HydrophobicContact CB-CE1 4.01Å; A151-Y218 HydrophobicContact CB-CE2 4.04Å; A151-Y218 HydrophobicContact CB-CG 3.96Å
152	N	98.3	Very high	95.3	Very high	37 Å²	37	41.8 Å²	41.8	20%	0.198	23%	0.228	C	C	.	.	H	α-helix	trans	-56.4	-44.4	176.3	-69.6	-19.8	0	0	0	111.5	R97 N98 E99 G101 G148	R97-N152 HydrophobicContact CB-CB 3.68Å; R97-N152 HydrophobicContact CG-CB 4.49Å; N98-N152 PolarHBondContact O-ND2 3.26Å; E99-N152 PolarHBondContact O-ND2 2.84Å; G101-N152 PolarHBondContact N-ND2 2.89Å; G148-N152 WeakPolarHBondContact O-CB 3.45Å; G148-N152 PolarHBondContact O-N 2.96Å; G148-N152 PolarHBondContact O-ND2 3.49Å
153	T	98.6	Very high	94.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-64.7	-52.2	179.3	-60.6	0	0	0	0	111.5	R97 F107 A149 A151 N155 Q156 F201	R97-T153 PolarHBondContact N-OG1 3.07Å; R97-T153 PolarHBondContact O-OG1 3.1Å; F107-T153 VanDerWaalsContact CE1-OG1 3.23Å; F107-T153 WeakPolarHBondContact CE1-OG1 3.35Å; A149-T153 VanDerWaalsContact O-CB 3.27Å; A149-T153 WeakPolarHBondContact O-CB 3.07Å; A149-T153 PolarHBondContact O-N 2.56Å; A149-T153 PolarHBondContact O-OG1 3.13Å; A151-T153 VanDerWaalsContact C-N 3.29Å; A151-T153 PolarHBondContact O-N 3.33Å; T153-N155 VanDerWaalsContact C-N 3.31Å; T153-N155 PolarHBondContact O-N 2.88Å; T153-Q156 WeakPolarHBondContact O-CB 3.48Å; T153-Q156 PolarHBondContact O-N 2.97Å; T153-Q156 PolarHBondContact O-NE2 3.01Å; T153-F201 HydrophobicContact CG2-CD1 3.82Å; T153-F201 HydrophobicContact CG2-CD2 3.98Å; T153-F201 HydrophobicContact CG2-CE1 3.6Å; T153-F201 HydrophobicContact CG2-CE2 3.8Å; T153-F201 HydrophobicContact CG2-CG 4.01Å; T153-F201 HydrophobicContact CG2-CZ 3.61Å
154	L	98.3	Very high	94.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-72.7	-22.8	-177.8	-64.4	-176.3	0	0	0	113.6	M150 A151 Q156 L157 Y158 V192 F201 L203 F210 P211 Y218	M150-L154 HydrophobicContact CG-CD1 4.49Å; M150-L154 WeakPolarHBondContact O-CG 3.41Å; M150-L154 PolarHBondContact O-N 2.91Å; M150-L154 VanDerWaalsContact O-N 3.12Å; A151-L154 PolarHBondContact O-N 3.25Å; L154-Q156 PolarHBondContact O-N 3.34Å; L154-L157 WeakPolarHBondContact O-CB 3.43Å; L154-L157 PolarHBondContact O-N 2.96Å; L154-Y158 HydrophobicContact CB-CD2 4.05Å; L154-Y158 HydrophobicContact CB-CE2 3.52Å; L154-Y158 HydrophobicContact CD1-CE2 4.21Å; L154-Y158 HydrophobicContact CG-CE2 4.47Å; L154-Y158 WeakPolarHBondContact O-CD2 3.48Å; L154-Y158 PolarHBondContact O-N 3.13Å; L154-Y158 VanDerWaalsContact O-N 3.12Å; L154-V192 HydrophobicContact CD2-CB 4.16Å; L154-V192 HydrophobicContact CD2-CG1 3.89Å; L154-V192 HydrophobicContact CD2-CG2 3.88Å; L154-F201 HydrophobicContact CD2-CE2 4.3Å; L154-F201 HydrophobicContact CD2-CZ 4.25Å; L154-L203 HydrophobicContact CD2-CD2 3.92Å; L154-L203 HydrophobicContact CG-CD2 4.34Å; L154-F210 HydrophobicContact CD1-CE1 4.03Å; L154-F210 HydrophobicContact CD1-CE2 4.3Å; L154-F210 HydrophobicContact CD1-CZ 3.45Å; L154-F210 VanDerWaalsContact CD1-CZ 3.45Å; L154-P211 HydrophobicContact CD1-CB 3.88Å; L154-Y218 HydrophobicContact CB-CD2 4.27Å; L154-Y218 HydrophobicContact CD1-CD2 4.01Å; L154-Y218 HydrophobicContact CD1-CE2 3.95Å
155	N	97.1	Very high	94.1	Very high	17 Å²	17	43.9 Å²	43.9	9%	0.091	24%	0.24	C	C	.	.	H	α-helix	trans	-62.1	-21.7	174.5	-81.7	-29.1	0	0	0	112.7	T146 A151 T153 L157 Y158 K159	T146-N155 PolarHBondContact O-ND2 2.99Å; A151-N155 WeakPolarHBondContact O-CB 3.25Å; A151-N155 PolarHBondContact O-N 2.76Å; A151-N155 PolarHBondContact O-ND2 2.97Å; T153-N155 VanDerWaalsContact C-N 3.31Å; T153-N155 PolarHBondContact O-N 2.88Å; N155-L157 PolarHBondContact O-N 3.44Å; N155-Y158 PolarHBondContact O-N 2.82Å; N155-K159 HydrophobicContact CB-CD 3.98Å; N155-K159 HydrophobicContact CB-CG 4.11Å; N155-K159 VanDerWaalsContact CG-CE 3.5Å; N155-K159 VanDerWaalsContact O-CB 3.3Å; N155-K159 WeakPolarHBondContact O-CB 3.46Å; N155-K159 PolarHBondContact O-N 2.75Å
156	Q	96.9	Very high	93.9	Very high	32 Å²	32	47.9 Å²	47.9	15%	0.15	26%	0.259	C	S	.	.	H	α-helix	trans	-64.5	-26.2	170.4	-67.3	169	107.6	0	0	112.6	S95 R97 T153 L154 V162 L194	S95-Q156 PolarHBondContact O-NE2 3.36Å; R97-Q156 VanDerWaalsContact NE-CD 3.32Å; T153-Q156 WeakPolarHBondContact O-CB 3.48Å; T153-Q156 PolarHBondContact O-N 2.97Å; T153-Q156 PolarHBondContact O-NE2 3.01Å; L154-Q156 PolarHBondContact O-N 3.34Å; Q156-V162 VanDerWaalsContact O-CB 3.3Å; Q156-V162 WeakPolarHBondContact O-CB 3.23Å; Q156-V162 WeakPolarHBondContact O-CG2 3.43Å; Q156-L194 HydrophobicContact CB-CD2 3.93Å
157	L	96.6	Very high	93.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-84.3	-45.1	171.4	-178.4	58.5	0	0	0	111.3	L154 N155 Y163 Y170 L172 L194 P214	L154-L157 WeakPolarHBondContact O-CB 3.43Å; L154-L157 PolarHBondContact O-N 2.96Å; N155-L157 PolarHBondContact O-N 3.44Å; L157-Y163 WeakPolarHBondContact O-CD1 3.43Å; L157-Y163 PolarHBondContact O-N 3.07Å; L157-Y170 HydrophobicContact CD1-CD1 3.9Å; L157-Y170 HydrophobicContact CD1-CD2 4.11Å; L157-Y170 HydrophobicContact CD1-CG 3.64Å; L157-Y170 HydrophobicContact CD2-CD2 4.16Å; L157-Y170 HydrophobicContact CD2-CG 4.39Å; L157-L172 HydrophobicContact CD2-CD1 4.49Å; L157-L172 HydrophobicContact CD2-CD2 3.83Å; L157-L172 HydrophobicContact CD2-CG 4.47Å; L157-L194 HydrophobicContact CB-CD2 4.06Å; L157-L194 HydrophobicContact CD1-CD1 4.16Å; L157-P214 HydrophobicContact CD2-CG 4.24Å; L157-P214 HydrophobicContact CG-CG 4.47Å
158	Y	94.9	Very high	93.8	Very high	17 Å²	17	40 Å²	40	7%	0.067	22%	0.221	C	C	.	.	H	α-helix	trans	-80.6	-42.6	-168	-56.8	-30.2	0	0	0	114.2	L154 N155 P211 S212 P214 Y218	L154-Y158 HydrophobicContact CB-CD2 4.05Å; L154-Y158 HydrophobicContact CB-CE2 3.52Å; L154-Y158 HydrophobicContact CD1-CE2 4.21Å; L154-Y158 HydrophobicContact CG-CE2 4.47Å; L154-Y158 WeakPolarHBondContact O-CD2 3.48Å; L154-Y158 PolarHBondContact O-N 3.13Å; L154-Y158 VanDerWaalsContact O-N 3.12Å; N155-Y158 PolarHBondContact O-N 2.82Å; Y158-P211 VanDerWaalsContact OH-CB 3.26Å; Y158-P211 WeakPolarHBondContact OH-CB 3.46Å; Y158-S212 PolarHBondContact OH-O 2.53Å; Y158-P214 VanDerWaalsContact CD1-CA 3.49Å; Y158-P214 HydrophobicContact CD1-CB 3.87Å; Y158-P214 HydrophobicContact CD1-CG 4.45Å; Y158-P214 HydrophobicContact CE1-CB 4.11Å; Y158-P214 HydrophobicContact CE1-CG 4.23Å; Y158-Y218 HydrophobicContact CE2-CD2 4.24Å
159	K	89.5	Confident	93.8	Very high	133 Å²	133	40 Å²	40	58%	0.578	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-81	149.4	-179.3	-61.8	-174.8	178.6	173.1	0	109.6	N155 K161	N155-K159 HydrophobicContact CB-CD 3.98Å; N155-K159 HydrophobicContact CB-CG 4.11Å; N155-K159 VanDerWaalsContact CG-CE 3.5Å; N155-K159 VanDerWaalsContact O-CB 3.3Å; N155-K159 WeakPolarHBondContact O-CB 3.46Å; N155-K159 PolarHBondContact O-N 2.75Å; K159-K161 PolarHBondContact O-N 3.44Å; K159-K161 VanDerWaalsContact O-N 3.1Å
160	G	80.8	Confident	93.8	Very high	80 Å²	80	40.7 Å²	40.7	83%	0.825	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	66.8	9.6	179.6	0	0	0	0	0	115	V162	G160-V162 VanDerWaalsContact C-N 3.29Å; G160-V162 PolarHBondContact O-N 2.79Å
161	K	83.2	Confident	93.8	Very high	128 Å²	128	40.5 Å²	40.5	56%	0.557	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	55.7	38.3	178.6	-60.7	176.3	171.3	-173.6	0	113.6	K159 Y163 M164	K159-K161 PolarHBondContact O-N 3.44Å; K159-K161 VanDerWaalsContact O-N 3.1Å; K161-Y163 HydrophobicContact CB-CE1 4.13Å; K161-Y163 HydrophobicContact CG-CE1 4.14Å; K161-Y163 PolarHBondContact O-N 2.85Å; K161-M164 HydrophobicContact CB-CB 4.34Å; K161-M164 HydrophobicContact CB-CG 4.1Å; K161-M164 HydrophobicContact CB-SD 4.03Å; K161-M164 HydrophobicContact CD-SD 3.73Å; K161-M164 HydrophobicContact CG-SD 4.13Å; K161-M164 WeakPolarHBondContact O-CA 3.41Å; K161-M164 WeakPolarHBondContact O-CB 3.47Å; K161-M164 PolarHBondContact O-N 3.14Å
162	V	88.4	Confident	93.8	Very high	31 Å²	31	40.5 Å²	40.5	19%	0.188	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-57.7	-32.2	176.6	175.5	0	0	0	0	111.6	Q156 G160 M164 S165 L194	Q156-V162 VanDerWaalsContact O-CB 3.3Å; Q156-V162 WeakPolarHBondContact O-CB 3.23Å; Q156-V162 WeakPolarHBondContact O-CG2 3.43Å; G160-V162 VanDerWaalsContact C-N 3.29Å; G160-V162 PolarHBondContact O-N 2.79Å; V162-M164 PolarHBondContact O-N 3Å; V162-M164 VanDerWaalsContact O-N 3.13Å; V162-S165 VanDerWaalsContact O-CB 3.24Å; V162-S165 WeakPolarHBondContact O-CB 3.31Å; V162-S165 PolarHBondContact O-N 3.09Å; V162-L194 HydrophobicContact CG1-CD1 4.27Å
163	Y	90.5	Very high	93.9	Very high	32 Å²	32	38.8 Å²	38.8	13%	0.125	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-60.9	-16.1	172	70.4	-89	0	0	0	114.7	L157 K161 Y170 P214 E215	L157-Y163 WeakPolarHBondContact O-CD1 3.43Å; L157-Y163 PolarHBondContact O-N 3.07Å; K161-Y163 HydrophobicContact CB-CE1 4.13Å; K161-Y163 HydrophobicContact CG-CE1 4.14Å; K161-Y163 PolarHBondContact O-N 2.85Å; Y163-Y170 VanDerWaalsContact O-CE1 3.25Å; Y163-Y170 WeakPolarHBondContact O-CE1 3.25Å; Y163-P214 HydrophobicContact CD1-CB 3.58Å; Y163-P214 HydrophobicContact CD2-CB 3.95Å; Y163-P214 HydrophobicContact CE1-CB 4.07Å; Y163-P214 HydrophobicContact CE2-CB 4.39Å; Y163-P214 HydrophobicContact CG-CB 3.52Å; Y163-P214 HydrophobicContact CG-CG 4.27Å; Y163-E215 HydrophobicContact CE2-CG 4.02Å
164	M	90.1	Very high	93.9	Very high	125 Å²	125	38.8 Å²	38.8	62%	0.616	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-97.5	-1.6	173.9	-54	-175	78.5	0	0	112.5	K161 V162	K161-M164 HydrophobicContact CB-CB 4.34Å; K161-M164 HydrophobicContact CB-CG 4.1Å; K161-M164 HydrophobicContact CB-SD 4.03Å; K161-M164 HydrophobicContact CD-SD 3.73Å; K161-M164 HydrophobicContact CG-SD 4.13Å; K161-M164 WeakPolarHBondContact O-CA 3.41Å; K161-M164 WeakPolarHBondContact O-CB 3.47Å; K161-M164 PolarHBondContact O-N 3.14Å; V162-M164 PolarHBondContact O-N 3Å; V162-M164 VanDerWaalsContact O-N 3.13Å
165	S	89.4	Confident	93.8	Very high	36 Å²	36	38.8 Å²	38.8	25%	0.252	21%	0.213	S	C	.	.			trans	-86.4	145.8	-178.4	-174.6	0	0	0	0	111.7	V162 S167	V162-S165 VanDerWaalsContact O-CB 3.24Å; V162-S165 WeakPolarHBondContact O-CB 3.31Å; V162-S165 PolarHBondContact O-N 3.09Å; S165-S167 VanDerWaalsContact C-N 3.33Å; S165-S167 WeakPolarHBondContact OG-CB 3.47Å; S165-S167 PolarHBondContact OG-N 2.97Å; S165-S167 VanDerWaalsContact OG-N 3.15Å; S165-S167 PolarHBondContact OG-OG 3.2Å
166	N	93.1	Very high	93.6	Very high	126 Å²	126	38 Å²	38	67%	0.674	21%	0.209	S	C	*	.	S	Bend	trans	-88.9	1.1	171.8	-68.8	-26.4	0	0	0	113.2	P261	N166-P261 HydrophobicContact CB-CB 4.18Å; N166-P261 HydrophobicContact CB-CG 4.49Å; N166-P261 WeakPolarHBondContact O-CB 3.21Å; N166-P261 WeakPolarHBondContact O-CG 3.12Å
167	S	94.6	Very high	93.4	Very high	43 Å²	43	36.5 Å²	36.5	30%	0.301	20%	0.202	S	C	.	.	S	Bend	trans	-85.9	-4.5	-177.2	67.1	0	0	0	0	114.4	R91 S165 D196	R91-S167 PolarHBondContact NH2-OG 2.95Å; S165-S167 VanDerWaalsContact C-N 3.33Å; S165-S167 WeakPolarHBondContact OG-CB 3.47Å; S165-S167 PolarHBondContact OG-N 2.97Å; S165-S167 VanDerWaalsContact OG-N 3.15Å; S165-S167 PolarHBondContact OG-OG 3.2Å; S167-D196 WeakPolarHBondContact O-CB 3.48Å
168	S	96.7	Very high	93.3	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	-149.5	149.5	-173.5	50.4	0	0	0	0	110.9	F195 P261	S168-F195 CarbonylContact C-O 3.51Å; S168-F195 VanDerWaalsContact CA-O 3.29Å; S168-F195 WeakPolarHBondContact CA-O 3.48Å; S168-F195 WeakPolarHBondContact CB-O 3.42Å; S168-P261 WeakPolarHBondContact O-CG 3.03Å
169	V	98.3	Very high	93	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	140.8	169.7	176.2	0	0	0	0	108.9	L194 F195 S259 V260 F264 L268 L271	V169-L194 WeakPolarHBondContact O-CA 3.36Å; V169-F195 HydrophobicContact CB-CD1 4.28Å; V169-F195 HydrophobicContact CB-CD2 4.1Å; V169-F195 HydrophobicContact CB-CE1 3.82Å; V169-F195 HydrophobicContact CB-CE2 3.6Å; V169-F195 HydrophobicContact CB-CG 4.42Å; V169-F195 HydrophobicContact CB-CZ 3.47Å; V169-F195 VanDerWaalsContact CB-CZ 3.47Å; V169-F195 HydrophobicContact CG1-CD1 4.46Å; V169-F195 HydrophobicContact CG1-CE1 3.63Å; V169-F195 HydrophobicContact CG1-CE2 4.09Å; V169-F195 HydrophobicContact CG1-CZ 3.42Å; V169-F195 VanDerWaalsContact CG1-CZ 3.42Å; V169-F195 HydrophobicContact CG2-CD2 4.41Å; V169-F195 HydrophobicContact CG2-CE2 3.7Å; V169-F195 HydrophobicContact CG2-CZ 3.89Å; V169-F195 PolarHBondContact N-O 2.72Å; V169-F195 PolarHBondContact O-N 3.28Å; V169-S259 WeakPolarHBondContact CA-O 3.27Å; V169-S259 WeakPolarHBondContact CG1-O 3.45Å; V169-V260 HydrophobicContact CG1-CG2 4.14Å; V169-V260 HydrophobicContact CG2-CG1 4.4Å; V169-F264 HydrophobicContact CG2-CB 3.68Å; V169-F264 HydrophobicContact CG2-CD1 3.67Å; V169-F264 HydrophobicContact CG2-CD2 3.57Å; V169-F264 HydrophobicContact CG2-CE1 4.13Å; V169-F264 HydrophobicContact CG2-CE2 4.06Å; V169-F264 HydrophobicContact CG2-CG 3.35Å; V169-F264 HydrophobicContact CG2-CZ 4.31Å; V169-L268 HydrophobicContact CG2-CD1 4.38Å; V169-L271 HydrophobicContact CG1-CD2 3.81Å
170	Y	98.4	Very high	93.1	Very high	14 Å²	14	40.2 Å²	40.2	6%	0.055	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	150.8	163.9	76.7	-90.6	0	0	0	111.4	L157 Y163 L172 L193 N257 C258 S259	L157-Y170 HydrophobicContact CD1-CD1 3.9Å; L157-Y170 HydrophobicContact CD1-CD2 4.11Å; L157-Y170 HydrophobicContact CD1-CG 3.64Å; L157-Y170 HydrophobicContact CD2-CD2 4.16Å; L157-Y170 HydrophobicContact CD2-CG 4.39Å; Y163-Y170 VanDerWaalsContact O-CE1 3.25Å; Y163-Y170 WeakPolarHBondContact O-CE1 3.25Å; Y170-L172 HydrophobicContact CD2-CG 4.45Å; Y170-L193 CarbonylContact C-O 3.54Å; Y170-L193 WeakPolarHBondContact CA-O 3.37Å; Y170-L193 WeakPolarHBondContact CB-O 3.41Å; Y170-N257 HydrophobicContact CE2-CB 4.47Å; Y170-N257 WeakPolarHBondContact CE2-OD1 3.22Å; Y170-N257 PolarHBondContact OH-OD1 2.87Å; Y170-C258 WeakPolarHBondContact O-CA 3.41Å; Y170-C258 PolarHBondContact O-SG 2.88Å; Y170-S259 PolarHBondContact N-O 3.42Å; Y170-S259 VanDerWaalsContact N-O 3.11Å; Y170-S259 PolarHBondContact O-N 2.99Å
171	A	98.4	Very high	93.6	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	126	174.4	0	0	0	0	0	110.6	V192 L193 F255 C258	A171-V192 CarbonylContact O-C 3.45Å; A171-V192 WeakPolarHBondContact O-CA 3.31Å; A171-L193 HydrophobicContact CB-CB 4.28Å; A171-L193 HydrophobicContact CB-CD1 4.29Å; A171-L193 PolarHBondContact N-O 2.73Å; A171-L193 PolarHBondContact O-N 2.84Å; A171-F255 HydrophobicContact CB-CD1 3.72Å; A171-F255 HydrophobicContact CB-CE1 3.44Å; A171-F255 VanDerWaalsContact CB-CE1 3.44Å; A171-F255 HydrophobicContact CB-CZ 4.18Å; A171-C258 HydrophobicContact CB-CB 4.19Å
172	L	98.7	Very high	94	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	124.4	174.5	-49.3	-175.6	0	0	0	108.9	L157 Y170 V192 P211 P214 F255 Y256 N257	L157-L172 HydrophobicContact CD2-CD1 4.49Å; L157-L172 HydrophobicContact CD2-CD2 3.83Å; L157-L172 HydrophobicContact CD2-CG 4.47Å; Y170-L172 HydrophobicContact CD2-CG 4.45Å; L172-V192 HydrophobicContact CD2-CB 4.12Å; L172-V192 HydrophobicContact CD2-CG1 3.6Å; L172-V192 HydrophobicContact CD2-CG2 3.74Å; L172-P211 HydrophobicContact CD1-CG 4.3Å; L172-P211 HydrophobicContact CD2-CG 4.01Å; L172-P214 HydrophobicContact CD1-CG 4.04Å; L172-F255 WeakPolarHBondContact O-CA 3.4Å; L172-Y256 VanDerWaalsContact C-CE1 3.49Å; L172-Y256 HydrophobicContact CB-CD1 4.45Å; L172-Y256 HydrophobicContact CB-CE1 3.74Å; L172-Y256 HydrophobicContact CB-CE2 3.88Å; L172-Y256 VanDerWaalsContact CB-CZ 3.42Å; L172-Y256 WeakPolarHBondContact CB-OH 3.49Å; L172-Y256 HydrophobicContact CD1-CE2 4.08Å; L172-Y256 VanDerWaalsContact O-CD1 3.31Å; L172-Y256 WeakPolarHBondContact O-CD1 3.05Å; L172-Y256 WeakPolarHBondContact O-CE1 3.16Å; L172-Y256 PolarHBondContact O-N 2.93Å; L172-N257 HydrophobicContact CB-CB 4.44Å; L172-N257 HydrophobicContact CD1-CB 4.2Å; L172-N257 HydrophobicContact CG-CB 4.43Å; L172-N257 PolarHBondContact N-O 2.72Å
173	Y	98.7	Very high	94.1	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	143.1	179.4	59.2	-82	0	0	0	112.9	T189 K190 G191 W202 P253 R254 F255	Y173-T189 HydrophobicContact CD2-CG2 3.79Å; Y173-T189 HydrophobicContact CE2-CG2 3.83Å; Y173-T189 WeakPolarHBondContact CE2-OG1 3.1Å; Y173-K190 CarbonylContact O-C 3.57Å; Y173-K190 VanDerWaalsContact O-CA 3.26Å; Y173-K190 WeakPolarHBondContact O-CA 3.39Å; Y173-G191 VanDerWaalsContact CD1-O 3.23Å; Y173-G191 WeakPolarHBondContact CD1-O 3.23Å; Y173-G191 WeakPolarHBondContact CE1-O 3.44Å; Y173-G191 PolarHBondContact N-O 3.1Å; Y173-G191 PolarHBondContact O-N 3.12Å; Y173-W202 AromaticContact CZ-NE1 3.97Å; Y173-W202 PolarHBondContact OH-NE1 2.82Å; Y173-P253 HydrophobicContact CD2-CB 3.63Å; Y173-P253 HydrophobicContact CE2-CB 4.34Å; Y173-P253 HydrophobicContact CG-CB 3.81Å; Y173-R254 WeakPolarHBondContact CA-O 3.49Å; Y173-R254 WeakPolarHBondContact CB-O 3.42Å; Y173-F255 HydrophobicContact CD1-CD1 4.02Å; Y173-F255 AromaticContact CD1-CE1 3.44Å; Y173-F255 HydrophobicContact CD1-CE1 3.44Å; Y173-F255 VanDerWaalsContact CD1-CE1 3.44Å; Y173-F255 HydrophobicContact CD1-CZ 4.38Å; Y173-F255 HydrophobicContact CE1-CE1 4.32Å; Y173-F255 HydrophobicContact CG-CD1 4.16Å; Y173-F255 AromaticContact CG-CE1 3.88Å; Y173-F255 HydrophobicContact CG-CE1 3.88Å
174	N	98.4	Very high	94	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.5	129.5	175.6	-164.8	-44	0	0	0	108.8	G176 A177 K190 V207 H209 F210 R254 Y256	N174-G176 PolarHBondContact O-N 2.88Å; N174-G176 VanDerWaalsContact OD1-C 3.27Å; N174-G176 PolarHBondContact OD1-N 3.25Å; N174-G176 PolarHBondContact OD1-O 2.04Å; N174-A177 HydrophobicContact CB-CB 4.48Å; N174-A177 PolarHBondContact O-N 3.01Å; N174-K190 HydrophobicContact CB-CB 4.32Å; N174-K190 HydrophobicContact CB-CG 4.31Å; N174-K190 WeakPolarHBondContact ND2-CD 3.31Å; N174-K190 VanDerWaalsContact OD1-CE 3.31Å; N174-K190 WeakPolarHBondContact OD1-CE 3.45Å; N174-V207 PolarHBondContact ND2-O 3.26Å; N174-H209 PolarHBondContact ND2-N 3.04Å; N174-F210 PolarHBondContact ND2-N 2.84Å; N174-F210 PolarHBondContact ND2-O 3.16Å; N174-R254 PolarHBondContact N-O 3.31Å; N174-R254 VanDerWaalsContact N-O 3.09Å; N174-Y256 HydrophobicContact CB-CD1 4.37Å; N174-Y256 HydrophobicContact CB-CE1 3.96Å
175	D	96.2	Very high	94.1	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-24.2	178.4	70.8	-43.8	0	0	0	113.7	Y182 I183 G187 H188 T189 K190 R254 R395	D175-Y182 WeakPolarHBondContact O-CA 3.25Å; D175-I183 PolarHBondContact O-N 2.87Å; D175-G187 VanDerWaalsContact CB-O 3.32Å; D175-G187 WeakPolarHBondContact CB-O 3.5Å; D175-H188 IonicContact OD1-ND1 3.76Å; D175-H188 IonicContact OD2-CE1 3.94Å; D175-H188 IonicContact OD2-CG 3.9Å; D175-H188 IonicContact OD2-ND1 2.78Å; D175-H188 PolarHBondContact OD2-ND1 2.63Å; D175-T189 PolarHBondContact N-O 3.43Å; D175-K190 VanDerWaalsContact OD1-CE 3.29Å; D175-K190 WeakPolarHBondContact OD1-CE 3.04Å; D175-K190 IonicContact OD1-NZ 3.81Å; D175-K190 PolarHBondContact OD1-NZ 2.75Å; D175-R254 PolarHBondContact O-NH1 3.38Å; D175-R395 IonicContact OD2-CZ 3.19Å; D175-R395 IonicContact OD2-NH1 2.84Å; D175-R395 PolarHBondContact OD2-NH1 3.02Å; D175-R395 IonicContact OD2-NH2 2.71Å; D175-R395 PolarHBondContact OD2-NH2 3.33Å
176	G	94	Very high	94.4	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.4	74.4	163.6	0	0	0	0	0	110.9	N174 H209	N174-G176 PolarHBondContact O-N 2.88Å; N174-G176 VanDerWaalsContact OD1-C 3.27Å; N174-G176 PolarHBondContact OD1-N 3.25Å; N174-G176 PolarHBondContact OD1-O 2.04Å; G176-H209 WeakPolarHBondContact O-CA 3.19Å; G176-H209 PolarHBondContact O-N 3.4Å; G176-H209 PolarHBondContact O-ND1 3.48Å
177	A	93.4	Very high	94.6	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	22%	0.22	C	C	.	.			trans	-55.5	161.3	178.5	0	0	0	0	0	113.7	N174 Q179 Q180 H209 Y256	N174-A177 HydrophobicContact CB-CB 4.48Å; N174-A177 PolarHBondContact O-N 3.01Å; A177-Q179 PolarHBondContact O-N 2.77Å; A177-Q180 HydrophobicContact CB-CB 4.07Å; A177-Q180 HydrophobicContact CB-CG 4.26Å; A177-Q180 PolarHBondContact O-N 3.39Å; A177-H209 PolarHBondContact O-ND1 2.95Å; A177-Y256 HydrophobicContact CB-CD1 3.5Å; A177-Y256 VanDerWaalsContact CB-CD1 3.5Å; A177-Y256 HydrophobicContact CB-CD2 4.19Å; A177-Y256 HydrophobicContact CB-CE1 4.13Å; A177-Y256 HydrophobicContact CB-CG 3.53Å
178	P	93.8	Very high	94.8	Very high	11 Å²	11	46.7 Å²	46.7	7%	0.071	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	128.4	-179.7	-19.7	27.1	0	0	0	111.5	Q180 P211 F213 Y256	P178-Q180 PolarHBondContact O-N 2.87Å; P178-Q180 VanDerWaalsContact O-N 3.11Å; P178-P211 WeakPolarHBondContact CG-O 3.32Å; P178-F213 HydrophobicContact CB-CD2 4.47Å; P178-F213 HydrophobicContact CB-CE2 4.32Å; P178-Y256 HydrophobicContact CG-CE2 4.15Å
179	Q	87.9	Confident	94.9	Very high	155 Å²	155	46.8 Å²	46.8	72%	0.724	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.2	16.8	-178.1	-56.9	173.4	-23.5	0	0	114.6	A177 R216	A177-Q179 PolarHBondContact O-N 2.77Å; Q179-R216 VanDerWaalsContact NE2-NH1 3.17Å; Q179-R216 VanDerWaalsContact OE1-NH2 3.08Å
180	Q	91.3	Very high	94.9	Very high	63 Å²	63	47 Å²	47	29%	0.294	21%	0.212	S	C	.	.			trans	-119.1	148.2	177.7	-60.7	-175.2	17.7	0	0	111.1	A177 P178 H209	A177-Q180 HydrophobicContact CB-CB 4.07Å; A177-Q180 HydrophobicContact CB-CG 4.26Å; A177-Q180 PolarHBondContact O-N 3.39Å; P178-Q180 PolarHBondContact O-N 2.87Å; P178-Q180 VanDerWaalsContact O-N 3.11Å; Q180-H209 PolarHBondContact O-CE1 2.97Å
181	K	92	Very high	94.9	Very high	180 Å²	180	46.4 Å²	46.4	78%	0.783	21%	0.209	S	C	*	.			trans	-69.9	154.1	175.3	-65.5	-178.3	179.9	178.1	0	110.9	R254	K181-R254 PolarHBondContact O-NH1 3.25Å
182	Y	92.3	Very high	94.9	Very high	119 Å²	119	46.4 Å²	46.4	47%	0.467	21%	0.209	S	C	.	.			trans	-64.7	136.2	170.9	-63.6	-92.2	0	0	0	111.2	D175 P208 H209	D175-Y182 WeakPolarHBondContact O-CA 3.25Å; Y182-P208 HydrophobicContact CE1-CB 4.42Å; Y182-P208 WeakPolarHBondContact OH-CB 3.46Å; Y182-H209 AromaticContact CE2-CE1 3.97Å; Y182-H209 AromaticContact CE2-NE2 3.77Å; Y182-H209 AromaticContact CZ-NE2 3.79Å; Y182-H209 PolarHBondContact OH-NE2 3.41Å
183	I	90.6	Very high	94.9	Very high	61 Å²	61	46.5 Å²	46.5	31%	0.313	21%	0.209	S	C	.	.			trans	-120.1	116.3	173.7	-61.2	178.3	0	0	0	108.7	D175 T185 Y186	D175-I183 PolarHBondContact O-N 2.87Å; I183-T185 VanDerWaalsContact C-N 3.32Å; I183-T185 WeakPolarHBondContact CG2-OG1 3.27Å; I183-T185 PolarHBondContact O-N 2.89Å; I183-Y186 HydrophobicContact CB-CD2 3.95Å; I183-Y186 HydrophobicContact CB-CE2 4.39Å; I183-Y186 HydrophobicContact CD1-CE2 4.43Å; I183-Y186 HydrophobicContact CG2-CD2 3.69Å; I183-Y186 HydrophobicContact CG2-CE2 3.96Å; I183-Y186 PolarHBondContact O-N 2.9Å
184	R	88.1	Confident	94.9	Very high	205 Å²	205	46.5 Å²	46.5	77%	0.774	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-18.3	-171.8	-67.6	-171.7	177.8	-171.7	1	114.7	Y186	R184-Y186 PolarHBondContact O-N 3.22Å
185	T	91.7	Very high	94.9	Very high	103 Å²	103	46.5 Å²	46.5	63%	0.632	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-17.2	178.6	56.3	0	0	0	0	113.1	I183	I183-T185 VanDerWaalsContact C-N 3.32Å; I183-T185 WeakPolarHBondContact CG2-OG1 3.27Å; I183-T185 PolarHBondContact O-N 2.89Å
186	Y	96	Very high	95	Very high	49 Å²	49	47.4 Å²	47.4	19%	0.192	22%	0.215	C	C	.	.	S	Bend	trans	-93.8	156	172.4	-65.1	-83.2	0	0	0	111.2	I183 R184 Y252 R254 R395	I183-Y186 HydrophobicContact CB-CD2 3.95Å; I183-Y186 HydrophobicContact CB-CE2 4.39Å; I183-Y186 HydrophobicContact CD1-CE2 4.43Å; I183-Y186 HydrophobicContact CG2-CD2 3.69Å; I183-Y186 HydrophobicContact CG2-CE2 3.96Å; I183-Y186 PolarHBondContact O-N 2.9Å; R184-Y186 PolarHBondContact O-N 3.22Å; Y186-Y252 AromaticContact CD1-CD1 3.87Å; Y186-Y252 HydrophobicContact CD1-CD1 3.87Å; Y186-Y252 AromaticContact CD1-CE1 3.56Å; Y186-Y252 HydrophobicContact CD1-CE1 3.56Å; Y186-Y252 HydrophobicContact CD1-CG 4.47Å; Y186-Y252 AromaticContact CD1-CZ 3.94Å; Y186-Y252 HydrophobicContact CE1-CD1 4.4Å; Y186-Y252 AromaticContact CE1-CE1 3.69Å; Y186-Y252 HydrophobicContact CE1-CE1 3.69Å; Y186-Y252 HydrophobicContact CE1-CE2 4.3Å; Y186-Y252 AromaticContact CE1-CZ 3.62Å; Y186-Y252 HydrophobicContact CG-CE1 4.35Å; Y186-R254 HydrophobicContact CD1-CB 3.82Å; Y186-R254 HydrophobicContact CD1-CG 4.35Å; Y186-R254 HydrophobicContact CD2-CB 3.86Å; Y186-R254 HydrophobicContact CD2-CG 3.9Å; Y186-R254 HydrophobicContact CE1-CB 4.32Å; Y186-R254 HydrophobicContact CE1-CG 4.41Å; Y186-R254 HydrophobicContact CE2-CB 4.37Å; Y186-R254 HydrophobicContact CE2-CG 3.97Å; Y186-R254 HydrophobicContact CG-CB 3.56Å; Y186-R254 HydrophobicContact CG-CG 4.09Å; Y186-R395 PolarHBondContact O-NE 2.94Å; Y186-R395 PolarHBondContact O-NH2 3.49Å
187	G	97.6	Very high	95.1	Very high	1 Å²	1	52 Å²	52	1%	0.01	24%	0.236	C	C	.	.			trans	-56.8	151.6	173.9	0	0	0	0	0	112.8	D175 T189 V251 Y252 R395 G396	D175-G187 VanDerWaalsContact CB-O 3.32Å; D175-G187 WeakPolarHBondContact CB-O 3.5Å; G187-T189 PolarHBondContact O-N 2.97Å; G187-V251 VanDerWaalsContact CA-O 3.26Å; G187-V251 WeakPolarHBondContact CA-O 3.36Å; G187-V251 PolarHBondContact N-O 2.75Å; G187-Y252 PolarHBondContact N-O 3.09Å; G187-R395 PolarHBondContact O-NH2 2.95Å; G187-G396 CarbonylContact C-O 3.56Å; G187-G396 WeakPolarHBondContact CA-O 3.22Å
188	H	98.1	Very high	95.3	Very high	18 Å²	18	54.7 Å²	54.7	8%	0.083	26%	0.255	C	S	.	.	S	Bend	trans	-81.7	55.2	178.1	-171.6	45	0	0	0	111.9	D175 K190 D385 L386 Q392 R395 G396	D175-H188 IonicContact OD1-ND1 3.76Å; D175-H188 IonicContact OD2-CE1 3.94Å; D175-H188 IonicContact OD2-CG 3.9Å; D175-H188 IonicContact OD2-ND1 2.78Å; D175-H188 PolarHBondContact OD2-ND1 2.63Å; H188-K190 PolarHBondContact CE1-NZ 3.36Å; H188-D385 PolarHBondContact CD2-O 2.77Å; H188-D385 WeakPolarHBondContact O-CB 3.32Å; H188-L386 HydrophobicContact CB-CD2 3.78Å; H188-Q392 PolarHBondContact CD2-NE2 3.14Å; H188-Q392 PolarHBondContact CD2-OE1 2.69Å; H188-Q392 VanDerWaalsContact CD2-OE1 3.25Å; H188-R395 VanDerWaalsContact CB-CZ 3.43Å; H188-R395 VanDerWaalsContact CG-NH1 3.31Å; H188-R395 PolarHBondContact ND1-NH1 2.82Å; H188-R395 VanDerWaalsContact ND1-NH1 3.15Å; H188-G396 PolarHBondContact N-O 2.8Å
189	T	98.5	Very high	95.5	Very high	3 Å²	3	55.4 Å²	55.4	2%	0.018	26%	0.257	C	S	.	.			trans	-124.5	156.2	-171.3	-171	0	0	0	0	111.3	Y173 D175 G187 V251 P253 D385	Y173-T189 HydrophobicContact CD2-CG2 3.79Å; Y173-T189 HydrophobicContact CE2-CG2 3.83Å; Y173-T189 WeakPolarHBondContact CE2-OG1 3.1Å; D175-T189 PolarHBondContact N-O 3.43Å; G187-T189 PolarHBondContact O-N 2.97Å; T189-V251 HydrophobicContact CG2-CG1 3.24Å; T189-P253 HydrophobicContact CG2-CB 3.6Å; T189-D385 WeakPolarHBondContact CA-OD1 3.4Å; T189-D385 VanDerWaalsContact CB-OD2 3.26Å; T189-D385 WeakPolarHBondContact CB-OD2 3.47Å; T189-D385 PolarHBondContact OG1-OD1 2.9Å; T189-D385 PolarHBondContact OG1-OD2 3.11Å
190	K	98.7	Very high	96	Very high	5 Å²	5	48 Å²	48	2%	0.022	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	140.8	-178.7	-37.7	170.2	170.5	49.3	0	110.4	Y173 N174 D175 H188 H205 V207	Y173-K190 CarbonylContact O-C 3.57Å; Y173-K190 VanDerWaalsContact O-CA 3.26Å; Y173-K190 WeakPolarHBondContact O-CA 3.39Å; N174-K190 HydrophobicContact CB-CB 4.32Å; N174-K190 HydrophobicContact CB-CG 4.31Å; N174-K190 WeakPolarHBondContact ND2-CD 3.31Å; N174-K190 VanDerWaalsContact OD1-CE 3.31Å; N174-K190 WeakPolarHBondContact OD1-CE 3.45Å; D175-K190 VanDerWaalsContact OD1-CE 3.29Å; D175-K190 WeakPolarHBondContact OD1-CE 3.04Å; D175-K190 IonicContact OD1-NZ 3.81Å; D175-K190 PolarHBondContact OD1-NZ 2.75Å; H188-K190 PolarHBondContact CE1-NZ 3.36Å; K190-H205 WeakPolarHBondContact CB-CE1 3.25Å; K190-H205 WeakPolarHBondContact CB-O 3.21Å; K190-H205 PolarHBondContact O-N 3.03Å; K190-H205 VanDerWaalsContact O-N 3.14Å; K190-V207 VanDerWaalsContact CD-O 3.27Å; K190-V207 WeakPolarHBondContact CD-O 3.32Å
191	G	98.6	Very high	96.4	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.7	-175.5	179.5	0	0	0	0	0	115.1	Y173 L203	Y173-G191 VanDerWaalsContact CD1-O 3.23Å; Y173-G191 WeakPolarHBondContact CD1-O 3.23Å; Y173-G191 WeakPolarHBondContact CE1-O 3.44Å; Y173-G191 PolarHBondContact N-O 3.1Å; Y173-G191 PolarHBondContact O-N 3.12Å; G191-L203 CarbonylContact C-O 3.51Å; G191-L203 WeakPolarHBondContact CA-O 3.26Å
192	V	98.9	Very high	96.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	133.2	-176.1	-178.8	0	0	0	0	109.5	L154 A171 L172 F201 L203 P211	L154-V192 HydrophobicContact CD2-CB 4.16Å; L154-V192 HydrophobicContact CD2-CG1 3.89Å; L154-V192 HydrophobicContact CD2-CG2 3.88Å; A171-V192 CarbonylContact O-C 3.45Å; A171-V192 WeakPolarHBondContact O-CA 3.31Å; L172-V192 HydrophobicContact CD2-CB 4.12Å; L172-V192 HydrophobicContact CD2-CG1 3.6Å; L172-V192 HydrophobicContact CD2-CG2 3.74Å; V192-F201 HydrophobicContact CB-CE2 4.23Å; V192-F201 HydrophobicContact CG1-CE2 3.75Å; V192-F201 HydrophobicContact CG1-CZ 4.23Å; V192-L203 HydrophobicContact CB-CB 4.18Å; V192-L203 HydrophobicContact CB-CD2 4.45Å; V192-L203 HydrophobicContact CG2-CD2 4.27Å; V192-L203 PolarHBondContact N-O 3.18Å; V192-L203 PolarHBondContact O-N 3.27Å; V192-P211 HydrophobicContact CG2-CG 3.58Å
193	L	98.8	Very high	97	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.01	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	136.6	161.8	-56.5	176.7	0	0	0	108.3	Y170 A171 F195 W202 F241 I244 L248 L271	Y170-L193 CarbonylContact C-O 3.54Å; Y170-L193 WeakPolarHBondContact CA-O 3.37Å; Y170-L193 WeakPolarHBondContact CB-O 3.41Å; A171-L193 HydrophobicContact CB-CB 4.28Å; A171-L193 HydrophobicContact CB-CD1 4.29Å; A171-L193 PolarHBondContact N-O 2.73Å; A171-L193 PolarHBondContact O-N 2.84Å; L193-F195 HydrophobicContact CB-CD1 4.26Å; L193-F195 HydrophobicContact CB-CE1 4.12Å; L193-F195 HydrophobicContact CD1-CE1 4.41Å; L193-W202 HydrophobicContact CD2-CB 3.79Å; L193-W202 HydrophobicContact CD2-CD2 4.33Å; L193-W202 HydrophobicContact CD2-CG 3.54Å; L193-F241 HydrophobicContact CD2-CD1 4.27Å; L193-F241 HydrophobicContact CD2-CE1 4.02Å; L193-I244 HydrophobicContact CD2-CG2 4.13Å; L193-L248 HydrophobicContact CD1-CD1 3.78Å; L193-L271 HydrophobicContact CD1-CD1 4.28Å; L193-L271 HydrophobicContact CD1-CD2 4.42Å
194	L	98.8	Very high	97.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	122.9	162.7	174.8	63.4	0	0	0	107.6	I94 Q156 L157 V162 V169 G200 F201	I94-L194 HydrophobicContact CD1-CD1 4.33Å; I94-L194 HydrophobicContact CD1-CG 4.16Å; I94-L194 HydrophobicContact CG2-CB 4.28Å; I94-L194 HydrophobicContact CG2-CD2 3.87Å; I94-L194 HydrophobicContact CG2-CG 3.67Å; I94-L194 WeakPolarHBondContact CG2-O 3.49Å; Q156-L194 HydrophobicContact CB-CD2 3.93Å; L157-L194 HydrophobicContact CB-CD2 4.06Å; L157-L194 HydrophobicContact CD1-CD1 4.16Å; V162-L194 HydrophobicContact CG1-CD1 4.27Å; V169-L194 WeakPolarHBondContact O-CA 3.36Å; L194-G200 CarbonylContact O-C 3.53Å; L194-G200 WeakPolarHBondContact O-CA 3.38Å; L194-F201 HydrophobicContact CB-CD1 4.37Å; L194-F201 HydrophobicContact CB-CE1 3.77Å; L194-F201 HydrophobicContact CB-CE2 4.3Å; L194-F201 HydrophobicContact CB-CZ 3.71Å; L194-F201 HydrophobicContact CD2-CE1 3.83Å; L194-F201 HydrophobicContact CD2-CZ 4.19Å; L194-F201 HydrophobicContact CG-CE1 4.27Å; L194-F201 PolarHBondContact N-O 2.79Å; L194-F201 PolarHBondContact O-N 3.08Å
195	F	98.4	Very high	97.9	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	159.1	-179.8	59.1	-88.8	0	0	0	112.2	S168 V169 L193 Q199 Y238 F241 L268 L271	S168-F195 CarbonylContact C-O 3.51Å; S168-F195 VanDerWaalsContact CA-O 3.29Å; S168-F195 WeakPolarHBondContact CA-O 3.48Å; S168-F195 WeakPolarHBondContact CB-O 3.42Å; V169-F195 HydrophobicContact CB-CD1 4.28Å; V169-F195 HydrophobicContact CB-CD2 4.1Å; V169-F195 HydrophobicContact CB-CE1 3.82Å; V169-F195 HydrophobicContact CB-CE2 3.6Å; V169-F195 HydrophobicContact CB-CG 4.42Å; V169-F195 HydrophobicContact CB-CZ 3.47Å; V169-F195 VanDerWaalsContact CB-CZ 3.47Å; V169-F195 HydrophobicContact CG1-CD1 4.46Å; V169-F195 HydrophobicContact CG1-CE1 3.63Å; V169-F195 HydrophobicContact CG1-CE2 4.09Å; V169-F195 HydrophobicContact CG1-CZ 3.42Å; V169-F195 VanDerWaalsContact CG1-CZ 3.42Å; V169-F195 HydrophobicContact CG2-CD2 4.41Å; V169-F195 HydrophobicContact CG2-CE2 3.7Å; V169-F195 HydrophobicContact CG2-CZ 3.89Å; V169-F195 PolarHBondContact N-O 2.72Å; V169-F195 PolarHBondContact O-N 3.28Å; L193-F195 HydrophobicContact CB-CD1 4.26Å; L193-F195 HydrophobicContact CB-CE1 4.12Å; L193-F195 HydrophobicContact CD1-CE1 4.41Å; F195-Q199 WeakPolarHBondContact CA-O 3.17Å; F195-Y238 AromaticContact CD2-CD2 3.88Å; F195-Y238 HydrophobicContact CD2-CD2 3.88Å; F195-Y238 HydrophobicContact CD2-CE2 4.04Å; F195-Y238 HydrophobicContact CE2-CD2 4.1Å; F195-Y238 AromaticContact CE2-CE2 3.82Å; F195-Y238 HydrophobicContact CE2-CE2 3.82Å; F195-F241 HydrophobicContact CB-CD2 3.96Å; F195-F241 HydrophobicContact CB-CE1 4.18Å; F195-F241 HydrophobicContact CB-CE2 3.56Å; F195-F241 HydrophobicContact CB-CG 4.41Å; F195-F241 HydrophobicContact CB-CZ 3.69Å; F195-F241 HydrophobicContact CD1-CB 4.47Å; F195-F241 AromaticContact CD1-CD1 3.35Å; F195-F241 HydrophobicContact CD1-CD1 3.35Å; F195-F241 HydrophobicContact CD1-CD2 4.14Å; F195-F241 AromaticContact CD1-CE1 3.44Å; F195-F241 HydrophobicContact CD1-CE1 3.44Å; F195-F241 VanDerWaalsContact CD1-CE1 3.44Å; F195-F241 HydrophobicContact CD1-CE2 4.2Å; F195-F241 AromaticContact CD1-CG 3.73Å; F195-F241 HydrophobicContact CD1-CG 3.73Å; F195-F241 AromaticContact CD1-CZ 3.88Å; F195-F241 HydrophobicContact CD1-CZ 3.88Å; F195-F241 HydrophobicContact CD2-CB 4.41Å; F195-F241 HydrophobicContact CD2-CD2 4.15Å; F195-F241 HydrophobicContact CD2-CG 4.12Å; F195-F241 HydrophobicContact CE1-CB 4.21Å; F195-F241 AromaticContact CE1-CD1 3.52Å; F195-F241 HydrophobicContact CE1-CD1 3.52Å; F195-F241 HydrophobicContact CE1-CE1 4.04Å; F195-F241 AromaticContact CE1-CG 3.9Å; F195-F241 HydrophobicContact CE1-CG 3.9Å; F195-F241 HydrophobicContact CE2-CB 4.15Å; F195-F241 HydrophobicContact CE2-CG 4.28Å; F195-F241 AromaticContact CG-CD1 3.93Å; F195-F241 HydrophobicContact CG-CD1 3.93Å; F195-F241 AromaticContact CG-CD2 3.83Å; F195-F241 HydrophobicContact CG-CD2 3.83Å; F195-F241 HydrophobicContact CG-CE1 4.01Å; F195-F241 AromaticContact CG-CE2 3.9Å; F195-F241 HydrophobicContact CG-CE2 3.9Å; F195-F241 AromaticContact CG-CG 3.83Å; F195-F241 HydrophobicContact CG-CG 3.83Å; F195-F241 AromaticContact CG-CZ 3.99Å; F195-F241 HydrophobicContact CG-CZ 3.99Å; F195-F241 HydrophobicContact CZ-CB 4.02Å; F195-F241 HydrophobicContact CZ-CD1 4.2Å; F195-F241 HydrophobicContact CZ-CG 4.16Å; F195-L268 HydrophobicContact CE2-CD1 3.59Å; F195-L268 HydrophobicContact CZ-CD1 3.54Å; F195-L271 HydrophobicContact CE1-CD2 4.44Å; F195-L271 HydrophobicContact CZ-CD2 4.13Å
196	D	97.3	Very high	98.2	Very high	21 Å²	21	15 Å²	15	11%	0.112	8%	0.077	C	C	.	.			trans	-119.4	-167.5	167	61.5	31.2	0	0	0	110.4	I94 S167 S198 Q199 Y238	I94-D196 HydrophobicContact CD1-CB 4.14Å; S167-D196 WeakPolarHBondContact O-CB 3.48Å; D196-S198 PolarHBondContact O-N 2.93Å; D196-S198 WeakPolarHBondContact OD1-CA 3.34Å; D196-S198 VanDerWaalsContact OD1-CB 3.26Å; D196-S198 WeakPolarHBondContact OD1-CB 3.46Å; D196-S198 PolarHBondContact OD1-N 3.08Å; D196-Q199 PolarHBondContact N-O 2.93Å; D196-Q199 PolarHBondContact OD1-N 3.19Å; D196-Q199 VanDerWaalsContact OD1-N 3.1Å; D196-Y238 WeakPolarHBondContact O-CD2 3.3Å
197	H	96.5	Very high	98.4	Very high	96 Å²	96	12.8 Å²	12.8	44%	0.444	7%	0.068	S	C	.	.	S	Bend	trans	-70.4	-11.6	-180	-77.3	-72.2	0	0	0	114.1	Y238 F264	H197-Y238 AromaticContact ND1-CE1 3.92Å; H197-Y238 AromaticContact ND1-CZ 3.82Å; H197-Y238 WeakPolarHBondContact O-CB 3.01Å; H197-F264 AromaticContact CD2-CE1 3.43Å; H197-F264 VanDerWaalsContact CD2-CE1 3.43Å; H197-F264 WeakPolarHBondContact CD2-CE1 3.29Å; H197-F264 AromaticContact CD2-CZ 3.59Å; H197-F264 AromaticContact CE1-CD1 3.6Å; H197-F264 AromaticContact CE1-CE1 3.65Å; H197-F264 AromaticContact CG-CE1 3.7Å; H197-F264 AromaticContact ND1-CE1 3.82Å; H197-F264 AromaticContact NE2-CD1 3.62Å; H197-F264 AromaticContact NE2-CE1 3.4Å; H197-F264 WeakPolarHBondContact NE2-CE1 3.48Å; H197-F264 AromaticContact NE2-CZ 3.71Å
198	S	97.3	Very high	98.3	Very high	57 Å²	57	13.4 Å²	13.4	40%	0.399	7%	0.072	S	C	.	.	S	Bend	trans	-86.2	-68.8	171.4	-176.5	0	0	0	0	108.9	D196 Q237 Y238	D196-S198 PolarHBondContact O-N 2.93Å; D196-S198 WeakPolarHBondContact OD1-CA 3.34Å; D196-S198 VanDerWaalsContact OD1-CB 3.26Å; D196-S198 WeakPolarHBondContact OD1-CB 3.46Å; D196-S198 PolarHBondContact OD1-N 3.08Å; S198-Q237 PolarHBondContact O-OE1 2.9Å; S198-Q237 VanDerWaalsContact O-OE1 3.05Å; S198-Y238 PolarHBondContact O-N 3.45Å
199	Q	98.3	Very high	98.3	Very high	26 Å²	26	14.7 Å²	14.7	12%	0.121	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	179.4	-171.1	58.9	171	75.9	0	0	112.2	D93 I94 F195 D196 Y236 V294	D93-Q199 HydrophobicContact CB-CG 4.01Å; I94-Q199 PolarHBondContact O-NE2 3.14Å; F195-Q199 WeakPolarHBondContact CA-O 3.17Å; D196-Q199 PolarHBondContact N-O 2.93Å; D196-Q199 PolarHBondContact OD1-N 3.19Å; D196-Q199 VanDerWaalsContact OD1-N 3.1Å; Q199-Y236 CarbonylContact C-O 3.6Å; Q199-Y236 VanDerWaalsContact CA-O 3.31Å; Q199-Y236 WeakPolarHBondContact CA-O 3.05Å; Q199-Y236 VanDerWaalsContact CB-O 3.31Å; Q199-Y236 WeakPolarHBondContact CB-O 3.02Å; Q199-V294 HydrophobicContact CB-CG1 4.47Å
200	G	98.6	Very high	98.3	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.8	-158.7	169.4	0	0	0	0	0	112.5	I94 L194 T235 Y236	I94-G200 WeakPolarHBondContact O-CA 3.39Å; L194-G200 CarbonylContact O-C 3.53Å; L194-G200 WeakPolarHBondContact O-CA 3.38Å; G200-T235 CarbonylContact O-C 3.6Å; G200-T235 VanDerWaalsContact O-CA 3.3Å; G200-T235 WeakPolarHBondContact O-CA 3.47Å; G200-Y236 PolarHBondContact N-O 3.32Å; G200-Y236 PolarHBondContact O-N 2.78Å
201	F	98.9	Very high	98.2	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	150.4	176	67.3	-99.8	0	0	0	113.2	I94 S95 T153 L154 V192 L194 L203 V234	I94-F201 HydrophobicContact CG2-CD1 3.96Å; I94-F201 HydrophobicContact CG2-CE1 4.21Å; S95-F201 WeakPolarHBondContact O-CD1 3.33Å; T153-F201 HydrophobicContact CG2-CD1 3.82Å; T153-F201 HydrophobicContact CG2-CD2 3.98Å; T153-F201 HydrophobicContact CG2-CE1 3.6Å; T153-F201 HydrophobicContact CG2-CE2 3.8Å; T153-F201 HydrophobicContact CG2-CG 4.01Å; T153-F201 HydrophobicContact CG2-CZ 3.61Å; L154-F201 HydrophobicContact CD2-CE2 4.3Å; L154-F201 HydrophobicContact CD2-CZ 4.25Å; V192-F201 HydrophobicContact CB-CE2 4.23Å; V192-F201 HydrophobicContact CG1-CE2 3.75Å; V192-F201 HydrophobicContact CG1-CZ 4.23Å; L194-F201 HydrophobicContact CB-CD1 4.37Å; L194-F201 HydrophobicContact CB-CE1 3.77Å; L194-F201 HydrophobicContact CB-CE2 4.3Å; L194-F201 HydrophobicContact CB-CZ 3.71Å; L194-F201 HydrophobicContact CD2-CE1 3.83Å; L194-F201 HydrophobicContact CD2-CZ 4.19Å; L194-F201 HydrophobicContact CG-CE1 4.27Å; L194-F201 PolarHBondContact N-O 2.79Å; L194-F201 PolarHBondContact O-N 3.08Å; F201-L203 HydrophobicContact CD2-CB 4.08Å; F201-L203 HydrophobicContact CE2-CB 4.19Å; F201-V234 VanDerWaalsContact CA-O 3.31Å; F201-V234 WeakPolarHBondContact CA-O 3.35Å
202	W	98.9	Very high	98.1	Very high	17 Å²	17	14.6 Å²	14.6	6%	0.064	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	119	160.8	-178.1	19.6	0	0	0	109	Y173 L193 C233 V234 Y236 F241 I244 L248 L291 I400	Y173-W202 AromaticContact CZ-NE1 3.97Å; Y173-W202 PolarHBondContact OH-NE1 2.82Å; L193-W202 HydrophobicContact CD2-CB 3.79Å; L193-W202 HydrophobicContact CD2-CD2 4.33Å; L193-W202 HydrophobicContact CD2-CG 3.54Å; W202-C233 WeakPolarHBondContact O-CA 3.33Å; W202-V234 PolarHBondContact N-O 2.79Å; W202-V234 PolarHBondContact O-N 3.01Å; W202-Y236 HydrophobicContact CB-CD2 4.09Å; W202-Y236 HydrophobicContact CB-CE2 4Å; W202-Y236 HydrophobicContact CE3-CE2 4.22Å; W202-F241 HydrophobicContact CB-CE1 4.41Å; W202-I244 HydrophobicContact CB-CD1 4.29Å; W202-I244 HydrophobicContact CD2-CD1 4.29Å; W202-I244 HydrophobicContact CD2-CG2 3.89Å; W202-I244 HydrophobicContact CE3-CB 4.4Å; W202-I244 HydrophobicContact CE3-CD1 3.65Å; W202-I244 HydrophobicContact CE3-CG1 3.71Å; W202-I244 HydrophobicContact CE3-CG2 3.79Å; W202-I244 HydrophobicContact CG-CG2 4.49Å; W202-I244 HydrophobicContact CH2-CG2 4.26Å; W202-I244 HydrophobicContact CZ2-CG2 4.35Å; W202-I244 HydrophobicContact CZ3-CD1 4.36Å; W202-I244 HydrophobicContact CZ3-CG1 3.92Å; W202-I244 HydrophobicContact CZ3-CG2 3.99Å; W202-L248 HydrophobicContact CZ2-CD2 4.4Å; W202-L291 HydrophobicContact CE3-CD1 4.36Å; W202-L291 HydrophobicContact CZ3-CD1 3.91Å; W202-I400 HydrophobicContact CD2-CD1 4.34Å; W202-I400 HydrophobicContact CE3-CD1 4.02Å; W202-I400 HydrophobicContact CH2-CD1 3.74Å; W202-I400 HydrophobicContact CH2-CG1 4.12Å; W202-I400 HydrophobicContact CZ2-CD1 4.06Å; W202-I400 HydrophobicContact CZ3-CD1 3.71Å; W202-I400 HydrophobicContact CZ3-CG1 4.19Å
203	L	98.9	Very high	98	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	107.4	175.4	174.5	70.6	0	0	0	109.3	F107 L154 G191 V192 F201 A231 L232 C233	F107-L203 HydrophobicContact CZ-CD1 4.46Å; L154-L203 HydrophobicContact CD2-CD2 3.92Å; L154-L203 HydrophobicContact CG-CD2 4.34Å; G191-L203 CarbonylContact C-O 3.51Å; G191-L203 WeakPolarHBondContact CA-O 3.26Å; V192-L203 HydrophobicContact CB-CB 4.18Å; V192-L203 HydrophobicContact CB-CD2 4.45Å; V192-L203 HydrophobicContact CG2-CD2 4.27Å; V192-L203 PolarHBondContact N-O 3.18Å; V192-L203 PolarHBondContact O-N 3.27Å; F201-L203 HydrophobicContact CD2-CB 4.08Å; F201-L203 HydrophobicContact CE2-CB 4.19Å; L203-A231 HydrophobicContact CD1-CB 4.06Å; L203-L232 CarbonylContact C-O 3.46Å; L203-L232 WeakPolarHBondContact CA-O 3.28Å; L203-C233 HydrophobicContact CD1-CB 3.82Å
204	S	98.8	Very high	97.8	Very high	12 Å²	12	16.5 Å²	16.5	8%	0.084	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	138.5	171.2	178.5	0	0	0	0	110.1	A231 L232	S204-A231 CarbonylContact O-C 3.48Å; S204-A231 VanDerWaalsContact O-CA 3.25Å; S204-A231 WeakPolarHBondContact O-CA 3.15Å; S204-L232 PolarHBondContact N-O 3.29Å; S204-L232 PolarHBondContact O-N 3.38Å
205	H	98.8	Very high	97.6	Very high	4 Å²	4	21.9 Å²	21.9	2%	0.019	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	166	-177.8	67.7	75.1	0	0	0	114.6	K190 V207 F210 T230 A231	K190-H205 WeakPolarHBondContact CB-CE1 3.25Å; K190-H205 WeakPolarHBondContact CB-O 3.21Å; K190-H205 PolarHBondContact O-N 3.03Å; K190-H205 VanDerWaalsContact O-N 3.14Å; H205-V207 PolarHBondContact CE1-O 3.47Å; H205-V207 VanDerWaalsContact CE1-O 3.23Å; H205-V207 PolarHBondContact ND1-N 3.24Å; H205-V207 VanDerWaalsContact ND1-N 3.17Å; H205-V207 PolarHBondContact ND1-O 3.45Å; H205-F210 AromaticContact CE1-CD1 3.63Å; H205-F210 PolarHBondContact CE1-O 3.03Å; H205-F210 VanDerWaalsContact CE1-O 3.29Å; H205-F210 AromaticContact NE2-CD1 3.56Å; H205-T230 CarbonylContact C-O 3.58Å; H205-T230 VanDerWaalsContact CA-O 3.28Å; H205-T230 WeakPolarHBondContact CA-O 3.46Å; H205-A231 HydrophobicContact CB-CB 3.68Å
206	T	98.5	Very high	97.4	Very high	5 Å²	5	27.2 Å²	27.2	3%	0.031	13%	0.132	C	C	.	.			trans	-103.4	4.8	179.3	65.1	0	0	0	0	115	P208 Q229 T230 H367 K369	T206-P208 VanDerWaalsContact O-CD 3.26Å; T206-P208 WeakPolarHBondContact O-CD 3.42Å; T206-Q229 WeakPolarHBondContact OG1-CA 2.94Å; T206-T230 PolarHBondContact N-O 2.94Å; T206-T230 PolarHBondContact OG1-N 2.77Å; T206-H367 WeakPolarHBondContact CB-O 3.43Å; T206-H367 PolarHBondContact OG1-O 3.04Å; T206-K369 HydrophobicContact CG2-CB 4.36Å; T206-K369 HydrophobicContact CG2-CD 4.22Å; T206-K369 HydrophobicContact CG2-CG 4.39Å
207	V	98.3	Very high	97.3	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.012	14%	0.137	C	C	.	.			trans	-77.2	110.5	-176.7	-167.7	0	0	0	0	113.5	N174 K190 H205 F210 Y220 P221 Q229	N174-V207 PolarHBondContact ND2-O 3.26Å; K190-V207 VanDerWaalsContact CD-O 3.27Å; K190-V207 WeakPolarHBondContact CD-O 3.32Å; H205-V207 PolarHBondContact CE1-O 3.47Å; H205-V207 VanDerWaalsContact CE1-O 3.23Å; H205-V207 PolarHBondContact ND1-N 3.24Å; H205-V207 VanDerWaalsContact ND1-N 3.17Å; H205-V207 PolarHBondContact ND1-O 3.45Å; V207-F210 HydrophobicContact CB-CB 3.87Å; V207-F210 HydrophobicContact CB-CD1 4.21Å; V207-F210 HydrophobicContact CB-CG 4.22Å; V207-F210 HydrophobicContact CG1-CB 3.54Å; V207-F210 HydrophobicContact CG1-CG 4.04Å; V207-Y220 HydrophobicContact CG1-CE1 4.4Å; V207-Y220 HydrophobicContact CG1-CE2 3.97Å; V207-Y220 WeakPolarHBondContact CG1-OH 3.41Å; V207-Y220 HydrophobicContact CG2-CE2 4.23Å; V207-Y220 VanDerWaalsContact CG2-OH 3.31Å; V207-Y220 WeakPolarHBondContact CG2-OH 3.49Å; V207-P221 HydrophobicContact CG1-CG 3.85Å; V207-Q229 HydrophobicContact CG2-CB 4Å; V207-Q229 HydrophobicContact CG2-CG 4.26Å
208	P	96.8	Very high	97.4	Very high	13 Å²	13	23.4 Å²	23.4	8%	0.084	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	153.9	174.3	-12.6	29	0	0	0	111.8	Y182 T206 F210 P221 Q229	Y182-P208 HydrophobicContact CE1-CB 4.42Å; Y182-P208 WeakPolarHBondContact OH-CB 3.46Å; T206-P208 VanDerWaalsContact O-CD 3.26Å; T206-P208 WeakPolarHBondContact O-CD 3.42Å; P208-F210 PolarHBondContact O-N 2.74Å; P208-P221 WeakPolarHBondContact O-CG 3.3Å; P208-Q229 VanDerWaalsContact CD-NE2 3.25Å
209	H	97.7	Very high	97.3	Very high	46 Å²	46	25.6 Å²	25.6	21%	0.213	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	26.3	-179.8	-50.9	-63.8	0	0	0	114.3	N174 G176 A177 Q180 Y182 P221	N174-H209 PolarHBondContact ND2-N 3.04Å; G176-H209 WeakPolarHBondContact O-CA 3.19Å; G176-H209 PolarHBondContact O-N 3.4Å; G176-H209 PolarHBondContact O-ND1 3.48Å; A177-H209 PolarHBondContact O-ND1 2.95Å; Q180-H209 PolarHBondContact O-CE1 2.97Å; Y182-H209 AromaticContact CE2-CE1 3.97Å; Y182-H209 AromaticContact CE2-NE2 3.77Å; Y182-H209 AromaticContact CZ-NE2 3.79Å; Y182-H209 PolarHBondContact OH-NE2 3.41Å; H209-P221 HydrophobicContact CB-CB 4.15Å
210	F	98	Very high	97.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.121	C	C	.	.			trans	-134.5	150.1	179.4	-180	-93.1	0	0	0	110	M150 L154 N174 H205 V207 P208 Y218 Y220 P221	M150-F210 HydrophobicContact CG-CE1 4.44Å; M150-F210 HydrophobicContact CG-CZ 3.95Å; M150-F210 HydrophobicContact SD-CE1 3.69Å; M150-F210 HydrophobicContact SD-CE2 4.13Å; M150-F210 HydrophobicContact SD-CZ 3.34Å; M150-F210 WeakPolarHBondContact SD-CZ 3.21Å; L154-F210 HydrophobicContact CD1-CE1 4.03Å; L154-F210 HydrophobicContact CD1-CE2 4.3Å; L154-F210 HydrophobicContact CD1-CZ 3.45Å; L154-F210 VanDerWaalsContact CD1-CZ 3.45Å; N174-F210 PolarHBondContact ND2-N 2.84Å; N174-F210 PolarHBondContact ND2-O 3.16Å; H205-F210 AromaticContact CE1-CD1 3.63Å; H205-F210 PolarHBondContact CE1-O 3.03Å; H205-F210 VanDerWaalsContact CE1-O 3.29Å; H205-F210 AromaticContact NE2-CD1 3.56Å; V207-F210 HydrophobicContact CB-CB 3.87Å; V207-F210 HydrophobicContact CB-CD1 4.21Å; V207-F210 HydrophobicContact CB-CG 4.22Å; V207-F210 HydrophobicContact CG1-CB 3.54Å; V207-F210 HydrophobicContact CG1-CG 4.04Å; P208-F210 PolarHBondContact O-N 2.74Å; F210-Y218 AromaticContact CE2-CE2 3.9Å; F210-Y218 HydrophobicContact CE2-CE2 3.9Å; F210-Y218 AromaticContact CZ-CE2 3.91Å; F210-Y218 HydrophobicContact CZ-CE2 3.91Å; F210-Y220 HydrophobicContact CD2-CD2 4.08Å; F210-Y220 HydrophobicContact CD2-CE2 4.45Å; F210-Y220 HydrophobicContact CE2-CD2 4.06Å; F210-P221 HydrophobicContact CB-CG 3.99Å
211	P	97.6	Very high	97.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.127	C	C	.	.	S	Bend	cis	-81.5	169.8	-7.6	36.9	-42.4	0	0	0	114.5	L154 Y158 L172 P178 V192 Y256	L154-P211 HydrophobicContact CD1-CB 3.88Å; Y158-P211 VanDerWaalsContact OH-CB 3.26Å; Y158-P211 WeakPolarHBondContact OH-CB 3.46Å; L172-P211 HydrophobicContact CD1-CG 4.3Å; L172-P211 HydrophobicContact CD2-CG 4.01Å; P178-P211 WeakPolarHBondContact CG-O 3.32Å; V192-P211 HydrophobicContact CG2-CG 3.58Å; P211-Y256 WeakPolarHBondContact CD-OH 3.39Å; P211-Y256 WeakPolarHBondContact CG-OH 3.27Å; P211-Y256 PolarHBondContact O-OH 2.98Å
212	S	96	Very high	97.1	Very high	6 Å²	6	31.1 Å²	31.1	4%	0.042	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-62	160	173.3	38.9	0	0	0	0	112.8	Y158 G217 Q219	Y158-S212 PolarHBondContact OH-O 2.53Å; S212-G217 WeakPolarHBondContact CB-O 3.48Å; S212-G217 PolarHBondContact OG-O 2.83Å; S212-Q219 PolarHBondContact OG-N 3.46Å; S212-Q219 VanDerWaalsContact OG-N 3.08Å
213	F	96	Very high	96.8	Very high	39 Å²	39	33.4 Å²	33.4	17%	0.171	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-58.8	138.5	168.7	-74.5	-90.4	0	0	0	110.4	P178 E215 R216 Y256 N257	P178-F213 HydrophobicContact CB-CD2 4.47Å; P178-F213 HydrophobicContact CB-CE2 4.32Å; F213-E215 WeakPolarHBondContact CB-OE2 3.45Å; F213-E215 PolarHBondContact O-N 2.86Å; F213-E215 VanDerWaalsContact O-N 3.13Å; F213-R216 PolarHBondContact O-N 2.83Å; F213-Y256 HydrophobicContact CD1-CD2 4.45Å; F213-Y256 AromaticContact CE1-CD2 3.86Å; F213-Y256 HydrophobicContact CE1-CD2 3.86Å; F213-Y256 HydrophobicContact CE1-CE2 4.48Å; F213-Y256 HydrophobicContact CE2-CD2 4.34Å; F213-Y256 AromaticContact CZ-CD2 3.79Å; F213-Y256 HydrophobicContact CZ-CD2 3.79Å; F213-Y256 HydrophobicContact CZ-CE2 4.44Å; F213-N257 HydrophobicContact CD1-CB 4.43Å; F213-N257 HydrophobicContact CE1-CB 4.47Å
214	P	95.2	Very high	96.6	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.019	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-53	-36.9	-174.7	-28.2	35.9	0	0	0	115.1	L157 Y158 Y163 L172 R216 G217 N257	L157-P214 HydrophobicContact CD2-CG 4.24Å; L157-P214 HydrophobicContact CG-CG 4.47Å; Y158-P214 VanDerWaalsContact CD1-CA 3.49Å; Y158-P214 HydrophobicContact CD1-CB 3.87Å; Y158-P214 HydrophobicContact CD1-CG 4.45Å; Y158-P214 HydrophobicContact CE1-CB 4.11Å; Y158-P214 HydrophobicContact CE1-CG 4.23Å; Y163-P214 HydrophobicContact CD1-CB 3.58Å; Y163-P214 HydrophobicContact CD2-CB 3.95Å; Y163-P214 HydrophobicContact CE1-CB 4.07Å; Y163-P214 HydrophobicContact CE2-CB 4.39Å; Y163-P214 HydrophobicContact CG-CB 3.52Å; Y163-P214 HydrophobicContact CG-CG 4.27Å; L172-P214 HydrophobicContact CD1-CG 4.04Å; P214-R216 PolarHBondContact O-N 3.14Å; P214-R216 VanDerWaalsContact O-N 3.13Å; P214-G217 PolarHBondContact O-N 2.88Å; P214-G217 VanDerWaalsContact O-N 3.07Å; P214-N257 VanDerWaalsContact CD-ND2 3.32Å; P214-N257 WeakPolarHBondContact CD-ND2 3.34Å
215	E	94.6	Very high	96.5	Very high	112 Å²	112	38.4 Å²	38.4	52%	0.523	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-63.6	-19.7	-179.4	-55.6	77.6	-171.1	0	0	112.9	Y163 F213	Y163-E215 HydrophobicContact CE2-CG 4.02Å; F213-E215 WeakPolarHBondContact CB-OE2 3.45Å; F213-E215 PolarHBondContact O-N 2.86Å; F213-E215 VanDerWaalsContact O-N 3.13Å
216	R	94.4	Very high	96.5	Very high	112 Å²	112	42 Å²	42	42%	0.423	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-96.6	-3.1	180	-58.4	-175	-173.4	171.7	2	113.2	Q179 F213 P214 Q219	Q179-R216 VanDerWaalsContact NE2-NH1 3.17Å; Q179-R216 VanDerWaalsContact OE1-NH2 3.08Å; F213-R216 PolarHBondContact O-N 2.83Å; P214-R216 PolarHBondContact O-N 3.14Å; P214-R216 VanDerWaalsContact O-N 3.13Å; R216-Q219 PolarHBondContact O-NE2 2.85Å; R216-Q219 VanDerWaalsContact O-NE2 3.1Å
217	G	95.7	Very high	96.5	Very high	22 Å²	22	42.3 Å²	42.3	23%	0.227	21%	0.214	C	C	.	.			trans	64.7	-169	-173.6	0	0	0	0	0	113	S212 P214 Q219	S212-G217 WeakPolarHBondContact CB-O 3.48Å; S212-G217 PolarHBondContact OG-O 2.83Å; P214-G217 PolarHBondContact O-N 2.88Å; P214-G217 VanDerWaalsContact O-N 3.07Å; G217-Q219 PolarHBondContact O-N 3.5Å
218	Y	97.4	Very high	96.5	Very high	16 Å²	16	42.2 Å²	42.2	6%	0.063	21%	0.214	C	C	.	.	S	Bend	trans	-67.9	120.2	-179.7	-175.5	-93.5	0	0	0	111.8	V143 T145 M150 A151 L154 Y158 F210	V143-Y218 WeakPolarHBondContact O-CE1 3.17Å; V143-Y218 PolarHBondContact O-OH 2.82Å; T145-Y218 WeakPolarHBondContact O-CD1 3.34Å; T145-Y218 WeakPolarHBondContact O-CE1 3.49Å; M150-Y218 HydrophobicContact CB-CE2 4.38Å; M150-Y218 HydrophobicContact CG-CE2 3.97Å; M150-Y218 HydrophobicContact SD-CE2 4.4Å; M150-Y218 PolarHBondContact SD-OH 3.13Å; M150-Y218 VanDerWaalsContact SD-OH 3.36Å; A151-Y218 HydrophobicContact CB-CD1 3.96Å; A151-Y218 HydrophobicContact CB-CD2 4Å; A151-Y218 HydrophobicContact CB-CE1 4.01Å; A151-Y218 HydrophobicContact CB-CE2 4.04Å; A151-Y218 HydrophobicContact CB-CG 3.96Å; L154-Y218 HydrophobicContact CB-CD2 4.27Å; L154-Y218 HydrophobicContact CD1-CD2 4.01Å; L154-Y218 HydrophobicContact CD1-CE2 3.95Å; Y158-Y218 HydrophobicContact CE2-CD2 4.24Å; F210-Y218 AromaticContact CE2-CE2 3.9Å; F210-Y218 HydrophobicContact CE2-CE2 3.9Å; F210-Y218 AromaticContact CZ-CE2 3.91Å; F210-Y218 HydrophobicContact CZ-CE2 3.91Å
219	Q	96.6	Very high	96.5	Very high	102 Å²	102	41.8 Å²	41.8	48%	0.477	21%	0.211	S	C	.	.			trans	-140.4	126.7	173	-58.8	-179	2.7	0	0	110.1	S212 R216 G217	S212-Q219 PolarHBondContact OG-N 3.46Å; S212-Q219 VanDerWaalsContact OG-N 3.08Å; R216-Q219 PolarHBondContact O-NE2 2.85Å; R216-Q219 VanDerWaalsContact O-NE2 3.1Å; G217-Q219 PolarHBondContact O-N 3.5Å
220	Y	97.8	Very high	96.6	Very high	23 Å²	23	39.8 Å²	39.8	9%	0.09	20%	0.202	C	C	.	.			trans	-89.8	130.2	173.7	-160.1	-93.1	0	0	0	110.7	K111 V143 N144 M150 V207 F210 Q229	K111-Y220 HydrophobicContact CD-CE1 4.15Å; K111-Y220 VanDerWaalsContact CD-OH 3.27Å; K111-Y220 WeakPolarHBondContact CD-OH 3.48Å; V143-Y220 HydrophobicContact CB-CD2 4.27Å; V143-Y220 HydrophobicContact CB-CE2 4.15Å; V143-Y220 HydrophobicContact CG1-CD1 3.86Å; V143-Y220 HydrophobicContact CG1-CD2 3.81Å; V143-Y220 HydrophobicContact CG1-CE1 3.67Å; V143-Y220 HydrophobicContact CG1-CE2 3.63Å; V143-Y220 HydrophobicContact CG1-CG 3.92Å; V143-Y220 HydrophobicContact CG2-CD2 3.73Å; V143-Y220 HydrophobicContact CG2-CE2 3.45Å; V143-Y220 VanDerWaalsContact CG2-CE2 3.45Å; V143-Y220 WeakPolarHBondContact O-CB 3.27Å; V143-Y220 WeakPolarHBondContact O-CD2 3.34Å; N144-Y220 HydrophobicContact CB-CG 4.34Å; M150-Y220 HydrophobicContact SD-CE2 4.34Å; V207-Y220 HydrophobicContact CG1-CE1 4.4Å; V207-Y220 HydrophobicContact CG1-CE2 3.97Å; V207-Y220 WeakPolarHBondContact CG1-OH 3.41Å; V207-Y220 HydrophobicContact CG2-CE2 4.23Å; V207-Y220 VanDerWaalsContact CG2-OH 3.31Å; V207-Y220 WeakPolarHBondContact CG2-OH 3.49Å; F210-Y220 HydrophobicContact CD2-CD2 4.08Å; F210-Y220 HydrophobicContact CD2-CE2 4.45Å; F210-Y220 HydrophobicContact CE2-CD2 4.06Å; Y220-Q229 PolarHBondContact OH-OE1 3.45Å
221	P	97.1	Very high	96.6	Very high	20 Å²	20	39.9 Å²	39.9	13%	0.13	20%	0.202	C	C	.	.			trans	-68.7	138	-176.3	28.4	-35.9	0	0	0	111.2	V207 P208 H209 F210 S223 G224	V207-P221 HydrophobicContact CG1-CG 3.85Å; P208-P221 WeakPolarHBondContact O-CG 3.3Å; H209-P221 HydrophobicContact CB-CB 4.15Å; F210-P221 HydrophobicContact CB-CG 3.99Å; P221-S223 PolarHBondContact O-N 3.29Å; P221-G224 PolarHBondContact O-N 3.06Å
222	S	95.4	Very high	96.7	Very high	99 Å²	99	40 Å²	40	69%	0.692	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-59.8	-32.4	175.7	57.3	0	0	0	0	112.6	G224 R225	S222-G224 PolarHBondContact O-N 2.9Å; S222-R225 WeakPolarHBondContact O-CB 3.48Å; S222-R225 VanDerWaalsContact O-CG 3.31Å; S222-R225 WeakPolarHBondContact O-CG 3.48Å; S222-R225 PolarHBondContact O-N 3.23Å
223	S	94	Very high	96.8	Very high	66 Å²	66	39.8 Å²	39.8	46%	0.462	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-64.7	-23.3	174	55.7	0	0	0	0	113.3	P221 R225	P221-S223 PolarHBondContact O-N 3.29Å; S223-R225 PolarHBondContact O-N 3.43Å
224	G	94.8	Very high	97	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-72.1	-7.2	175	0	0	0	0	0	114.1	K111 P221 S222 Q229	K111-G224 WeakPolarHBondContact CE-O 3.33Å; K111-G224 PolarHBondContact NZ-O 3.15Å; K111-G224 VanDerWaalsContact NZ-O 3.16Å; P221-G224 PolarHBondContact O-N 3.06Å; S222-G224 PolarHBondContact O-N 2.9Å; G224-Q229 PolarHBondContact O-OE1 2.99Å; G224-Q229 VanDerWaalsContact O-OE1 3.05Å
225	R	96.8	Very high	97.2	Very high	116 Å²	116	38 Å²	38	44%	0.438	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-71.9	-34.4	-178.6	-65.8	-173.2	176.5	178.8	-2.2	113.6	K111 G123 V124 S222 S223	K111-R225 PolarHBondContact NZ-O 3.29Å; G123-R225 WeakPolarHBondContact CA-O 3.33Å; G123-R225 WeakPolarHBondContact O-CA 3.5Å; V124-R225 HydrophobicContact CG1-CG 3.75Å; S222-R225 WeakPolarHBondContact O-CB 3.48Å; S222-R225 VanDerWaalsContact O-CG 3.31Å; S222-R225 WeakPolarHBondContact O-CG 3.48Å; S222-R225 PolarHBondContact O-N 3.23Å; S223-R225 PolarHBondContact O-N 3.43Å
226	H	97.3	Very high	97.4	Very high	79 Å²	79	32.6 Å²	32.6	37%	0.366	17%	0.168	S	C	.	.	S	Bend	trans	-65.9	-53.2	-166.8	-172.3	75.4	0	0	0	112.5	K114 F115 Y365	K114-H226 PolarHBondContact N-O 2.85Å; F115-H226 AromaticContact CD2-CE1 3.57Å; F115-H226 AromaticContact CD2-ND1 3.84Å; F115-H226 AromaticContact CE2-CE1 3.4Å; F115-H226 VanDerWaalsContact CE2-CE1 3.4Å; F115-H226 WeakPolarHBondContact CE2-CE1 3.2Å; F115-H226 AromaticContact CE2-ND1 3.56Å; H226-Y365 AromaticContact NE2-CD1 3.98Å
227	N	98.3	Very high	97.6	Very high	13 Å²	13	31.2 Å²	31.2	7%	0.07	17%	0.167	C	C	.	.	S	Bend	trans	-102.1	152.8	-170.9	-66.4	-47.1	0	0	0	113.1	K111 Y365 H367	K111-N227 WeakPolarHBondContact CE-O 3.5Å; K111-N227 PolarHBondContact NZ-O 3.49Å; N227-Y365 CarbonylContact C-O 3.58Å; N227-Y365 WeakPolarHBondContact CA-O 3.24Å; N227-Y365 VanDerWaalsContact OD1-C 3.31Å; N227-Y365 WeakPolarHBondContact OD1-CA 3.5Å; N227-Y365 PolarHBondContact OD1-O 2.95Å; N227-H367 HydrophobicContact CB-CB 4Å; N227-H367 VanDerWaalsContact CG-CD2 3.45Å; N227-H367 PolarHBondContact ND2-CD2 2.85Å; N227-H367 PolarHBondContact ND2-CE1 2.92Å; N227-H367 PolarHBondContact ND2-NE2 2.91Å
228	G	98.4	Very high	97.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-60.8	145.2	167.7	0	0	0	0	0	111	K111 Y365 D366 H367 S368	K111-G228 CarbonylContact O-C 3.54Å; K111-G228 WeakPolarHBondContact O-CA 3.41Å; G228-Y365 PolarHBondContact N-O 3.28Å; G228-D366 VanDerWaalsContact CA-OD1 3.28Å; G228-D366 WeakPolarHBondContact CA-OD1 3.38Å; G228-H367 CarbonylContact O-C 3.53Å; G228-H367 VanDerWaalsContact O-CA 3.3Å; G228-H367 WeakPolarHBondContact O-CA 3.32Å; G228-H367 VanDerWaalsContact O-CB 3.31Å; G228-H367 WeakPolarHBondContact O-CB 3.25Å; G228-H367 PolarHBondContact O-N 3.25Å; G228-S368 PolarHBondContact O-N 2.85Å; G228-S368 VanDerWaalsContact O-N 3.16Å
229	Q	98.6	Very high	97.7	Very high	4 Å²	4	34 Å²	34	2%	0.019	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	148.2	-174.3	-73.8	164.7	-31.3	0	0	110.2	Y110 K111 T206 V207 P208 Y220 G224 H367	Y110-Q229 CarbonylContact C-O 3.59Å; Y110-Q229 WeakPolarHBondContact CA-O 3.24Å; K111-Q229 HydrophobicContact CB-CB 4.34Å; K111-Q229 PolarHBondContact N-O 3.37Å; K111-Q229 PolarHBondContact O-N 2.86Å; T206-Q229 WeakPolarHBondContact OG1-CA 2.94Å; V207-Q229 HydrophobicContact CG2-CB 4Å; V207-Q229 HydrophobicContact CG2-CG 4.26Å; P208-Q229 VanDerWaalsContact CD-NE2 3.25Å; Y220-Q229 PolarHBondContact OH-OE1 3.45Å; G224-Q229 PolarHBondContact O-OE1 2.99Å; G224-Q229 VanDerWaalsContact O-OE1 3.05Å; Q229-H367 HydrophobicContact CG-CB 4.01Å
230	T	98.8	Very high	97.8	Very high	4 Å²	4	30.7 Å²	30.7	3%	0.025	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	150.1	176.4	46.2	0	0	0	0	111.1	I109 Y110 H205 T206 L383	I109-T230 CarbonylContact O-C 3.57Å; I109-T230 VanDerWaalsContact O-CA 3.24Å; I109-T230 WeakPolarHBondContact O-CA 3.42Å; Y110-T230 HydrophobicContact CD1-CG2 4.31Å; Y110-T230 HydrophobicContact CD2-CG2 3.81Å; Y110-T230 HydrophobicContact CE2-CG2 4.05Å; Y110-T230 HydrophobicContact CG-CG2 3.95Å; H205-T230 CarbonylContact C-O 3.58Å; H205-T230 VanDerWaalsContact CA-O 3.28Å; H205-T230 WeakPolarHBondContact CA-O 3.46Å; T206-T230 PolarHBondContact N-O 2.94Å; T206-T230 PolarHBondContact OG1-N 2.77Å; T230-L383 HydrophobicContact CG2-CD2 4.45Å
231	A	98.9	Very high	97.9	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.008	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	135	167.6	0	0	0	0	0	109.5	I108 I109 M150 L203 S204 H205	I108-A231 CarbonylContact C-O 3.53Å; I108-A231 VanDerWaalsContact CA-O 3.27Å; I108-A231 WeakPolarHBondContact CA-O 3.45Å; I109-A231 HydrophobicContact CB-CB 4.46Å; I109-A231 PolarHBondContact N-O 3.19Å; I109-A231 PolarHBondContact O-N 3.17Å; M150-A231 HydrophobicContact CE-CB 3.71Å; L203-A231 HydrophobicContact CD1-CB 4.06Å; S204-A231 CarbonylContact O-C 3.48Å; S204-A231 VanDerWaalsContact O-CA 3.25Å; S204-A231 WeakPolarHBondContact O-CA 3.15Å; H205-A231 HydrophobicContact CB-CB 3.68Å
232	L	98.9	Very high	97.9	Very high	4 Å²	4	31.6 Å²	31.6	2%	0.021	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	121.9	173.3	168.3	66.3	0	0	0	108	I108 L203 S204 V234 L383 I400	I108-L232 HydrophobicContact CD1-CD1 4.1Å; I108-L232 HydrophobicContact CG1-CD1 3.62Å; L203-L232 CarbonylContact C-O 3.46Å; L203-L232 WeakPolarHBondContact CA-O 3.28Å; S204-L232 PolarHBondContact N-O 3.29Å; S204-L232 PolarHBondContact O-N 3.38Å; L232-V234 HydrophobicContact CD1-CG2 3.76Å; L232-V234 HydrophobicContact CD2-CG2 4.19Å; L232-V234 HydrophobicContact CG-CG2 3.9Å; L232-L383 HydrophobicContact CB-CD2 4.26Å; L232-L383 HydrophobicContact CD2-CD1 4.42Å; L232-I400 HydrophobicContact CD2-CB 3.95Å; L232-I400 HydrophobicContact CD2-CD1 4.23Å; L232-I400 HydrophobicContact CD2-CG2 3.67Å
233	C	98.9	Very high	98.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	131.1	168.4	-167.8	0	0	0	0	108.7	C96 W106 F107 W202 L203	C96-C233 VanDerWaalsContact CA-SG 3.59Å; C96-C233 HydrophobicContact CB-CB 3.92Å; C96-C233 WeakPolarHBondContact CB-SG 3.45Å; C96-C233 WeakPolarHBondContact SG-CB 3.26Å; C96-C233 CovalentContact SG-SG 2.04Å; C96-C233 PolarHBondContact SG-SG 3.17Å; W106-C233 CarbonylContact C-O 3.59Å; W106-C233 WeakPolarHBondContact CA-O 3.29Å; W106-C233 WeakPolarHBondContact CB-O 3.14Å; F107-C233 HydrophobicContact CD1-CB 3.7Å; F107-C233 HydrophobicContact CD2-CB 4.15Å; F107-C233 HydrophobicContact CE1-CB 3.28Å; F107-C233 HydrophobicContact CE2-CB 3.77Å; F107-C233 HydrophobicContact CG-CB 4.1Å; F107-C233 HydrophobicContact CZ-CB 3.32Å; F107-C233 PolarHBondContact N-O 3.23Å; F107-C233 PolarHBondContact O-N 3.36Å; W202-C233 WeakPolarHBondContact O-CA 3.33Å; L203-C233 HydrophobicContact CD1-CB 3.82Å
234	V	98.9	Very high	98.3	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.012	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	134	169.9	-174.5	0	0	0	0	109.7	C96 W106 F201 W202 L232 Y236 F299	C96-V234 PolarHBondContact SG-N 2.92Å; W106-V234 HydrophobicContact CB-CB 4.37Å; W106-V234 HydrophobicContact CB-CG1 4.38Å; W106-V234 HydrophobicContact CB-CG2 4Å; F201-V234 VanDerWaalsContact CA-O 3.31Å; F201-V234 WeakPolarHBondContact CA-O 3.35Å; W202-V234 PolarHBondContact N-O 2.79Å; W202-V234 PolarHBondContact O-N 3.01Å; L232-V234 HydrophobicContact CD1-CG2 3.76Å; L232-V234 HydrophobicContact CD2-CG2 4.19Å; L232-V234 HydrophobicContact CG-CG2 3.9Å; V234-Y236 HydrophobicContact CB-CD2 4.13Å; V234-Y236 HydrophobicContact CB-CE1 4.31Å; V234-Y236 HydrophobicContact CB-CE2 3.44Å; V234-Y236 VanDerWaalsContact CB-CE2 3.44Å; V234-Y236 HydrophobicContact CG1-CD1 4.11Å; V234-Y236 HydrophobicContact CG1-CD2 4.16Å; V234-Y236 HydrophobicContact CG1-CE1 3.58Å; V234-Y236 HydrophobicContact CG1-CE2 3.64Å; V234-Y236 HydrophobicContact CG1-CG 4.38Å; V234-Y236 HydrophobicContact CG2-CE2 4.4Å; V234-Y236 WeakPolarHBondContact O-CD2 3.48Å; V234-F299 HydrophobicContact CG1-CD2 4.11Å; V234-F299 HydrophobicContact CG1-CE2 3.69Å; V234-F299 HydrophobicContact CG1-CZ 4.22Å; V234-F299 HydrophobicContact CG2-CD1 4.47Å; V234-F299 HydrophobicContact CG2-CD2 4.47Å; V234-F299 HydrophobicContact CG2-CE1 3.99Å; V234-F299 HydrophobicContact CG2-CE2 4.02Å; V234-F299 HydrophobicContact CG2-CZ 3.76Å
235	T	98.9	Very high	98.4	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.012	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	125.3	173.8	-55.9	0	0	0	0	108.7	C96 V104 D105 G200 S293 V294	C96-T235 WeakPolarHBondContact CB-OG1 3.23Å; C96-T235 PolarHBondContact N-OG1 2.01Å; V104-T235 PolarHBondContact O-OG1 2.75Å; D105-T235 WeakPolarHBondContact O-CB 3.04Å; D105-T235 PolarHBondContact O-N 3.39Å; G200-T235 CarbonylContact O-C 3.6Å; G200-T235 VanDerWaalsContact O-CA 3.3Å; G200-T235 WeakPolarHBondContact O-CA 3.47Å; T235-S293 CarbonylContact O-C 3.53Å; T235-S293 VanDerWaalsContact O-CA 3.27Å; T235-S293 WeakPolarHBondContact O-CA 3.29Å; T235-S293 WeakPolarHBondContact O-CB 3.12Å; T235-V294 HydrophobicContact CG2-CB 4.39Å; T235-V294 HydrophobicContact CG2-CG1 3.78Å; T235-V294 HydrophobicContact CG2-CG2 3.65Å; T235-V294 PolarHBondContact O-N 2.99Å
236	Y	98.8	Very high	98.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	146.1	-174.5	-71.1	-66.3	0	0	0	111.1	Q199 G200 W202 V234 Q240 I244 L291 F292	Q199-Y236 CarbonylContact C-O 3.6Å; Q199-Y236 VanDerWaalsContact CA-O 3.31Å; Q199-Y236 WeakPolarHBondContact CA-O 3.05Å; Q199-Y236 VanDerWaalsContact CB-O 3.31Å; Q199-Y236 WeakPolarHBondContact CB-O 3.02Å; G200-Y236 PolarHBondContact N-O 3.32Å; G200-Y236 PolarHBondContact O-N 2.78Å; W202-Y236 HydrophobicContact CB-CD2 4.09Å; W202-Y236 HydrophobicContact CB-CE2 4Å; W202-Y236 HydrophobicContact CE3-CE2 4.22Å; V234-Y236 HydrophobicContact CB-CD2 4.13Å; V234-Y236 HydrophobicContact CB-CE1 4.31Å; V234-Y236 HydrophobicContact CB-CE2 3.44Å; V234-Y236 VanDerWaalsContact CB-CE2 3.44Å; V234-Y236 HydrophobicContact CG1-CD1 4.11Å; V234-Y236 HydrophobicContact CG1-CD2 4.16Å; V234-Y236 HydrophobicContact CG1-CE1 3.58Å; V234-Y236 HydrophobicContact CG1-CE2 3.64Å; V234-Y236 HydrophobicContact CG1-CG 4.38Å; V234-Y236 HydrophobicContact CG2-CE2 4.4Å; V234-Y236 WeakPolarHBondContact O-CD2 3.48Å; Y236-Q240 HydrophobicContact CD1-CB 3.98Å; Y236-Q240 HydrophobicContact CD1-CG 4Å; Y236-Q240 HydrophobicContact CG-CB 4.14Å; Y236-I244 HydrophobicContact CD2-CD1 3.79Å; Y236-I244 HydrophobicContact CE2-CD1 3.98Å; Y236-I244 HydrophobicContact CG-CD1 4.3Å; Y236-L291 HydrophobicContact CE1-CB 3.86Å; Y236-F292 VanDerWaalsContact CD1-O 3.25Å; Y236-F292 WeakPolarHBondContact CD1-O 3.36Å
237	Q	98.6	Very high	98.5	Very high	83 Å²	83	19.6 Å²	19.6	39%	0.388	11%	0.105	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	153.6	164.8	-64.3	-66.3	15.8	0	0	110.7	S198 S239 Q240 V294	S198-Q237 PolarHBondContact O-OE1 2.9Å; S198-Q237 VanDerWaalsContact O-OE1 3.05Å; Q237-S239 PolarHBondContact O-N 2.8Å; Q237-S239 VanDerWaalsContact O-N 3.09Å; Q237-Q240 WeakPolarHBondContact O-CB 3.03Å; Q237-Q240 PolarHBondContact O-N 2.69Å; Q237-V294 HydrophobicContact CG-CG1 4.03Å
238	Y	98.4	Very high	98.5	Very high	26 Å²	26	19.1 Å²	19.1	10%	0.102	10%	0.102	C	C	.	.	H	α-helix	trans	-47.4	-42.6	-179.5	177.5	-110.7	0	0	0	113.9	F195 D196 H197 S198 Q240 F241 L242 F264 D267 L268	F195-Y238 AromaticContact CD2-CD2 3.88Å; F195-Y238 HydrophobicContact CD2-CD2 3.88Å; F195-Y238 HydrophobicContact CD2-CE2 4.04Å; F195-Y238 HydrophobicContact CE2-CD2 4.1Å; F195-Y238 AromaticContact CE2-CE2 3.82Å; F195-Y238 HydrophobicContact CE2-CE2 3.82Å; D196-Y238 WeakPolarHBondContact O-CD2 3.3Å; H197-Y238 AromaticContact ND1-CE1 3.92Å; H197-Y238 AromaticContact ND1-CZ 3.82Å; H197-Y238 WeakPolarHBondContact O-CB 3.01Å; S198-Y238 PolarHBondContact O-N 3.45Å; Y238-Q240 PolarHBondContact O-N 3.48Å; Y238-Q240 VanDerWaalsContact O-N 3.14Å; Y238-F241 WeakPolarHBondContact O-CB 3.45Å; Y238-F241 PolarHBondContact O-N 3.22Å; Y238-L242 HydrophobicContact CE1-CD2 4.48Å; Y238-F264 AromaticContact CE2-CD1 3.79Å; Y238-F264 HydrophobicContact CE2-CD1 3.79Å; Y238-F264 HydrophobicContact CE2-CE1 4.03Å; Y238-D267 VanDerWaalsContact OH-CB 3.23Å; Y238-D267 WeakPolarHBondContact OH-CB 3.46Å; Y238-D267 PolarHBondContact OH-OD2 3.24Å; Y238-L268 HydrophobicContact CE2-CD1 4.38Å
239	S	98.1	Very high	98.5	Very high	69 Å²	69	19.3 Å²	19.3	48%	0.483	10%	0.104	S	C	.	.	H	α-helix	trans	-58.1	-30.2	-178.4	60	0	0	0	0	114.1	Q237 F241 L242	Q237-S239 PolarHBondContact O-N 2.8Å; Q237-S239 VanDerWaalsContact O-N 3.09Å; S239-F241 VanDerWaalsContact C-N 3.3Å; S239-F241 PolarHBondContact O-N 3.05Å; S239-L242 WeakPolarHBondContact O-CB 3.22Å; S239-L242 PolarHBondContact O-N 2.58Å
240	Q	98.7	Very high	98.5	Very high	33 Å²	33	20.8 Å²	20.8	15%	0.154	11%	0.109	C	C	.	.	H	α-helix	trans	-70.2	-30.2	178.2	-57.3	-64.4	-50.5	0	0	111.4	Y236 Q237 Y238 L242 S243 I244 L291 F292	Y236-Q240 HydrophobicContact CD1-CB 3.98Å; Y236-Q240 HydrophobicContact CD1-CG 4Å; Y236-Q240 HydrophobicContact CG-CB 4.14Å; Q237-Q240 WeakPolarHBondContact O-CB 3.03Å; Q237-Q240 PolarHBondContact O-N 2.69Å; Y238-Q240 PolarHBondContact O-N 3.48Å; Y238-Q240 VanDerWaalsContact O-N 3.14Å; Q240-L242 PolarHBondContact O-N 2.72Å; Q240-S243 WeakPolarHBondContact O-CB 3.27Å; Q240-S243 PolarHBondContact O-N 3.22Å; Q240-I244 WeakPolarHBondContact O-CG1 3.31Å; Q240-I244 PolarHBondContact O-N 3.16Å; Q240-L291 VanDerWaalsContact OE1-CA 3.31Å; Q240-F292 WeakPolarHBondContact CG-O 3.32Å
241	F	98.7	Very high	98.5	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.009	11%	0.11	C	C	.	.	H	α-helix	trans	-66	-23.2	178.9	-70.6	-82.7	0	0	0	113	L193 F195 W202 Y238 S239 S243 I244 A245	L193-F241 HydrophobicContact CD2-CD1 4.27Å; L193-F241 HydrophobicContact CD2-CE1 4.02Å; F195-F241 HydrophobicContact CB-CD2 3.96Å; F195-F241 HydrophobicContact CB-CE1 4.18Å; F195-F241 HydrophobicContact CB-CE2 3.56Å; F195-F241 HydrophobicContact CB-CG 4.41Å; F195-F241 HydrophobicContact CB-CZ 3.69Å; F195-F241 HydrophobicContact CD1-CB 4.47Å; F195-F241 AromaticContact CD1-CD1 3.35Å; F195-F241 HydrophobicContact CD1-CD1 3.35Å; F195-F241 HydrophobicContact CD1-CD2 4.14Å; F195-F241 AromaticContact CD1-CE1 3.44Å; F195-F241 HydrophobicContact CD1-CE1 3.44Å; F195-F241 VanDerWaalsContact CD1-CE1 3.44Å; F195-F241 HydrophobicContact CD1-CE2 4.2Å; F195-F241 AromaticContact CD1-CG 3.73Å; F195-F241 HydrophobicContact CD1-CG 3.73Å; F195-F241 AromaticContact CD1-CZ 3.88Å; F195-F241 HydrophobicContact CD1-CZ 3.88Å; F195-F241 HydrophobicContact CD2-CB 4.41Å; F195-F241 HydrophobicContact CD2-CD2 4.15Å; F195-F241 HydrophobicContact CD2-CG 4.12Å; F195-F241 HydrophobicContact CE1-CB 4.21Å; F195-F241 AromaticContact CE1-CD1 3.52Å; F195-F241 HydrophobicContact CE1-CD1 3.52Å; F195-F241 HydrophobicContact CE1-CE1 4.04Å; F195-F241 AromaticContact CE1-CG 3.9Å; F195-F241 HydrophobicContact CE1-CG 3.9Å; F195-F241 HydrophobicContact CE2-CB 4.15Å; F195-F241 HydrophobicContact CE2-CG 4.28Å; F195-F241 AromaticContact CG-CD1 3.93Å; F195-F241 HydrophobicContact CG-CD1 3.93Å; F195-F241 AromaticContact CG-CD2 3.83Å; F195-F241 HydrophobicContact CG-CD2 3.83Å; F195-F241 HydrophobicContact CG-CE1 4.01Å; F195-F241 AromaticContact CG-CE2 3.9Å; F195-F241 HydrophobicContact CG-CE2 3.9Å; F195-F241 AromaticContact CG-CG 3.83Å; F195-F241 HydrophobicContact CG-CG 3.83Å; F195-F241 AromaticContact CG-CZ 3.99Å; F195-F241 HydrophobicContact CG-CZ 3.99Å; F195-F241 HydrophobicContact CZ-CB 4.02Å; F195-F241 HydrophobicContact CZ-CD1 4.2Å; F195-F241 HydrophobicContact CZ-CG 4.16Å; W202-F241 HydrophobicContact CB-CE1 4.41Å; Y238-F241 WeakPolarHBondContact O-CB 3.45Å; Y238-F241 PolarHBondContact O-N 3.22Å; S239-F241 VanDerWaalsContact C-N 3.3Å; S239-F241 PolarHBondContact O-N 3.05Å; F241-S243 VanDerWaalsContact C-N 3.34Å; F241-I244 HydrophobicContact CD1-CD1 3.93Å; F241-I244 HydrophobicContact CE1-CD1 4.17Å; F241-I244 HydrophobicContact CG-CD1 4.39Å; F241-I244 PolarHBondContact O-N 3.45Å; F241-A245 VanDerWaalsContact O-CB 3.3Å; F241-A245 WeakPolarHBondContact O-CB 3.37Å; F241-A245 PolarHBondContact O-N 2.57Å
242	L	98	Very high	98.4	Very high	61 Å²	61	22.1 Å²	22.1	32%	0.319	12%	0.115	S	C	.	.	H	α-helix	trans	-63	-43.3	170.8	-51.4	-173.1	0	0	0	110.9	Y238 S239 Q240 Q246 D267 L268	Y238-L242 HydrophobicContact CE1-CD2 4.48Å; S239-L242 WeakPolarHBondContact O-CB 3.22Å; S239-L242 PolarHBondContact O-N 2.58Å; Q240-L242 PolarHBondContact O-N 2.72Å; L242-Q246 WeakPolarHBondContact O-CG 3.48Å; L242-Q246 PolarHBondContact O-N 3.42Å; L242-D267 HydrophobicContact CD2-CB 4.04Å; L242-L268 HydrophobicContact CD2-CD2 3.67Å; L242-L268 HydrophobicContact CD2-CG 4.08Å
243	S	98.3	Very high	98.4	Very high	30 Å²	30	22 Å²	22	21%	0.21	11%	0.114	C	C	.	.	H	α-helix	trans	-72.2	-37.7	175.9	-67.9	0	0	0	0	112.2	Q240 F241 Q246 Q247	Q240-S243 WeakPolarHBondContact O-CB 3.27Å; Q240-S243 PolarHBondContact O-N 3.22Å; F241-S243 VanDerWaalsContact C-N 3.34Å; S243-Q246 WeakPolarHBondContact O-CB 2.9Å; S243-Q246 PolarHBondContact O-N 3.02Å; S243-Q247 WeakPolarHBondContact O-CG 3.4Å; S243-Q247 PolarHBondContact O-N 2.82Å
244	I	98.8	Very high	98.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-62.6	-43.9	175.1	-64.8	165.8	0	0	0	110.2	L193 W202 Y236 Q240 F241 Q246 Q247 L248 L291	L193-I244 HydrophobicContact CD2-CG2 4.13Å; W202-I244 HydrophobicContact CB-CD1 4.29Å; W202-I244 HydrophobicContact CD2-CD1 4.29Å; W202-I244 HydrophobicContact CD2-CG2 3.89Å; W202-I244 HydrophobicContact CE3-CB 4.4Å; W202-I244 HydrophobicContact CE3-CD1 3.65Å; W202-I244 HydrophobicContact CE3-CG1 3.71Å; W202-I244 HydrophobicContact CE3-CG2 3.79Å; W202-I244 HydrophobicContact CG-CG2 4.49Å; W202-I244 HydrophobicContact CH2-CG2 4.26Å; W202-I244 HydrophobicContact CZ2-CG2 4.35Å; W202-I244 HydrophobicContact CZ3-CD1 4.36Å; W202-I244 HydrophobicContact CZ3-CG1 3.92Å; W202-I244 HydrophobicContact CZ3-CG2 3.99Å; Y236-I244 HydrophobicContact CD2-CD1 3.79Å; Y236-I244 HydrophobicContact CE2-CD1 3.98Å; Y236-I244 HydrophobicContact CG-CD1 4.3Å; Q240-I244 WeakPolarHBondContact O-CG1 3.31Å; Q240-I244 PolarHBondContact O-N 3.16Å; F241-I244 HydrophobicContact CD1-CD1 3.93Å; F241-I244 HydrophobicContact CE1-CD1 4.17Å; F241-I244 HydrophobicContact CG-CD1 4.39Å; F241-I244 PolarHBondContact O-N 3.45Å; I244-Q246 VanDerWaalsContact C-N 3.31Å; I244-Q246 PolarHBondContact O-N 3.29Å; I244-Q247 WeakPolarHBondContact O-CB 3.31Å; I244-Q247 PolarHBondContact O-N 3.32Å; I244-Q247 VanDerWaalsContact O-N 3.08Å; I244-L248 HydrophobicContact CG2-CD1 4.05Å; I244-L248 HydrophobicContact CG2-CG 4.35Å; I244-L248 WeakPolarHBondContact O-CG 2.98Å; I244-L248 PolarHBondContact O-N 3.26Å; I244-L291 HydrophobicContact CD1-CD1 4.44Å; I244-L291 HydrophobicContact CG1-CD1 3.88Å; I244-L291 HydrophobicContact CG1-CD2 4.11Å
245	A	98.2	Very high	98.3	Very high	4 Å²	4	24.7 Å²	24.7	3%	0.033	13%	0.125	C	C	.	.	H	α-helix	trans	-58.2	-42.9	176.3	0	0	0	0	0	111.8	F241 Q247 L248 V249 L268 L271	F241-A245 VanDerWaalsContact O-CB 3.3Å; F241-A245 WeakPolarHBondContact O-CB 3.37Å; F241-A245 PolarHBondContact O-N 2.57Å; A245-Q247 PolarHBondContact O-N 2.94Å; A245-L248 PolarHBondContact O-N 3.37Å; A245-V249 WeakPolarHBondContact O-CG2 3.08Å; A245-V249 PolarHBondContact O-N 3.18Å; A245-L268 HydrophobicContact CB-CD2 3.8Å; A245-L271 HydrophobicContact CB-CB 4.21Å
246	Q	97.5	Very high	98.2	Very high	70 Å²	70	26 Å²	26	33%	0.327	13%	0.13	S	C	.	.	H	α-helix	trans	-60.5	-43.1	173.4	-69.6	171.8	2.3	0	0	112.2	L242 S243 I244 L248 V249 Y250 Q270 K289	L242-Q246 WeakPolarHBondContact O-CG 3.48Å; L242-Q246 PolarHBondContact O-N 3.42Å; S243-Q246 WeakPolarHBondContact O-CB 2.9Å; S243-Q246 PolarHBondContact O-N 3.02Å; I244-Q246 VanDerWaalsContact C-N 3.31Å; I244-Q246 PolarHBondContact O-N 3.29Å; Q246-L248 VanDerWaalsContact C-N 3.33Å; Q246-L248 PolarHBondContact O-N 3.48Å; Q246-V249 WeakPolarHBondContact O-CB 3.45Å; Q246-V249 PolarHBondContact O-N 3.26Å; Q246-Y250 WeakPolarHBondContact O-CD2 3.39Å; Q246-Q270 VanDerWaalsContact CG-OE1 3.25Å; Q246-K289 VanDerWaalsContact OE1-CE 3.25Å
247	Q	98.4	Very high	98.1	Very high	3 Å²	3	27.1 Å²	27.1	1%	0.014	14%	0.136	C	C	.	.	H	α-helix	trans	-62.5	-40.6	177	-69.7	-65.9	-77.8	0	0	111.8	S243 I244 A245 V249 Y250 V251 G287 K289 S301 A303	S243-Q247 WeakPolarHBondContact O-CG 3.4Å; S243-Q247 PolarHBondContact O-N 2.82Å; I244-Q247 WeakPolarHBondContact O-CB 3.31Å; I244-Q247 PolarHBondContact O-N 3.32Å; I244-Q247 VanDerWaalsContact O-N 3.08Å; A245-Q247 PolarHBondContact O-N 2.94Å; Q247-V249 PolarHBondContact O-N 3.11Å; Q247-Y250 PolarHBondContact O-N 2.77Å; Q247-Y250 VanDerWaalsContact O-N 3.14Å; Q247-V251 PolarHBondContact O-N 3.33Å; Q247-G287 PolarHBondContact OE1-O 2.91Å; Q247-K289 HydrophobicContact CG-CB 4.11Å; Q247-K289 HydrophobicContact CG-CG 3.86Å; Q247-S301 PolarHBondContact OE1-O 3.45Å; Q247-S301 PolarHBondContact OE1-OG 3.07Å; Q247-A303 HydrophobicContact CB-CB 4.16Å
248	L	98.5	Very high	98.1	Very high	3 Å²	3	24.8 Å²	24.8	2%	0.016	13%	0.128	C	C	.	.	H	α-helix	trans	-65.6	-22.8	177.9	-66.7	173	0	0	0	113.2	L193 W202 I244 A245 Q246 V251 Y252 P253 F255 L274	L193-L248 HydrophobicContact CD1-CD1 3.78Å; W202-L248 HydrophobicContact CZ2-CD2 4.4Å; I244-L248 HydrophobicContact CG2-CD1 4.05Å; I244-L248 HydrophobicContact CG2-CG 4.35Å; I244-L248 WeakPolarHBondContact O-CG 2.98Å; I244-L248 PolarHBondContact O-N 3.26Å; A245-L248 PolarHBondContact O-N 3.37Å; Q246-L248 VanDerWaalsContact C-N 3.33Å; Q246-L248 PolarHBondContact O-N 3.48Å; L248-V251 PolarHBondContact O-N 2.84Å; L248-Y252 PolarHBondContact O-N 2.83Å; L248-P253 HydrophobicContact CB-CG 4.33Å; L248-P253 HydrophobicContact CD2-CG 4.25Å; L248-P253 WeakPolarHBondContact O-CD 3.31Å; L248-F255 HydrophobicContact CD1-CZ 4.2Å; L248-L274 HydrophobicContact CB-CD1 4.08Å
249	V	98.1	Very high	98	Very high	5 Å²	5	25 Å²	25	3%	0.03	13%	0.134	C	C	.	.	H	α-helix	trans	-62	-45.3	171.3	-179.1	0	0	0	0	111.4	A245 Q246 Q247 Y252 Q270 L274 P280 L282	A245-V249 WeakPolarHBondContact O-CG2 3.08Å; A245-V249 PolarHBondContact O-N 3.18Å; Q246-V249 WeakPolarHBondContact O-CB 3.45Å; Q246-V249 PolarHBondContact O-N 3.26Å; Q247-V249 PolarHBondContact O-N 3.11Å; V249-Y252 PolarHBondContact O-N 2.81Å; V249-Q270 HydrophobicContact CG2-CB 3.74Å; V249-Q270 HydrophobicContact CG2-CG 3.99Å; V249-L274 HydrophobicContact CG2-CD1 4.25Å; V249-P280 HydrophobicContact CG1-CB 3.74Å; V249-P280 HydrophobicContact CG1-CG 4.06Å; V249-P280 HydrophobicContact CG2-CB 4.28Å; V249-P280 HydrophobicContact CG2-CG 4.06Å; V249-L282 HydrophobicContact CG1-CD2 3.86Å
250	Y	98.3	Very high	98	Very high	34 Å²	34	22.7 Å²	22.7	13%	0.133	12%	0.117	C	C	.	.	H	α-helix	trans	-63	-44.2	176.7	-63.3	-77.4	0	0	0	111.2	Q246 Q247 Y252 L282 S283 A284 A303 K304 S305	Q246-Y250 WeakPolarHBondContact O-CD2 3.39Å; Q247-Y250 PolarHBondContact O-N 2.77Å; Q247-Y250 VanDerWaalsContact O-N 3.14Å; Y250-Y252 VanDerWaalsContact C-N 3.33Å; Y250-Y252 PolarHBondContact O-N 2.81Å; Y250-L282 HydrophobicContact CD1-CD2 3.78Å; Y250-L282 HydrophobicContact CE1-CD2 4.28Å; Y250-L282 HydrophobicContact CG-CD2 4.34Å; Y250-S283 PolarHBondContact OH-OG 3.2Å; Y250-A284 HydrophobicContact CE1-CB 4.26Å; Y250-A284 WeakPolarHBondContact CE1-O 3.32Å; Y250-A303 HydrophobicContact CD2-CB 4.4Å; Y250-K304 CarbonylContact C-O 3.36Å; Y250-K304 CarbonylContact O-C 3.59Å; Y250-S305 WeakPolarHBondContact O-CA 3.35Å; Y250-S305 WeakPolarHBondContact O-CB 3.21Å; Y250-S305 PolarHBondContact O-N 2.98Å
251	V	98	Very high	97.9	Very high	7 Å²	7	21.5 Å²	21.5	4%	0.042	11%	0.112	C	C	.	.	H	α-helix	trans	-68.4	-33.9	-177.6	179.8	0	0	0	0	112.3	G187 T189 Q247 L248 A303	G187-V251 VanDerWaalsContact CA-O 3.26Å; G187-V251 WeakPolarHBondContact CA-O 3.36Å; G187-V251 PolarHBondContact N-O 2.75Å; T189-V251 HydrophobicContact CG2-CG1 3.24Å; Q247-V251 PolarHBondContact O-N 3.33Å; L248-V251 PolarHBondContact O-N 2.84Å; V251-A303 HydrophobicContact CG2-CB 3.8Å
252	Y	97.9	Very high	97.9	Very high	26 Å²	26	25.5 Å²	25.5	10%	0.102	15%	0.145	C	C	.	.			trans	51.1	65.1	-174.1	-170	-123.6	0	0	0	112.7	Y186 G187 L248 V249 Y250 L274 R279	Y186-Y252 AromaticContact CD1-CD1 3.87Å; Y186-Y252 HydrophobicContact CD1-CD1 3.87Å; Y186-Y252 AromaticContact CD1-CE1 3.56Å; Y186-Y252 HydrophobicContact CD1-CE1 3.56Å; Y186-Y252 HydrophobicContact CD1-CG 4.47Å; Y186-Y252 AromaticContact CD1-CZ 3.94Å; Y186-Y252 HydrophobicContact CE1-CD1 4.4Å; Y186-Y252 AromaticContact CE1-CE1 3.69Å; Y186-Y252 HydrophobicContact CE1-CE1 3.69Å; Y186-Y252 HydrophobicContact CE1-CE2 4.3Å; Y186-Y252 AromaticContact CE1-CZ 3.62Å; Y186-Y252 HydrophobicContact CG-CE1 4.35Å; G187-Y252 PolarHBondContact N-O 3.09Å; L248-Y252 PolarHBondContact O-N 2.83Å; V249-Y252 PolarHBondContact O-N 2.81Å; Y250-Y252 VanDerWaalsContact C-N 3.33Å; Y250-Y252 PolarHBondContact O-N 2.81Å; Y252-L274 HydrophobicContact CD2-CD2 3.72Å; Y252-L274 HydrophobicContact CE2-CD2 4.17Å; Y252-R279 HydrophobicContact CD2-CB 4.18Å; Y252-R279 HydrophobicContact CD2-CG 3.77Å; Y252-R279 HydrophobicContact CE2-CB 3.56Å; Y252-R279 HydrophobicContact CE2-CG 3.67Å; Y252-R279 HydrophobicContact CG-CG 4.28Å
253	P	98.1	Very high	97.8	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.013	16%	0.157	C	C	.	.			trans	-67	151.5	-179.3	29.8	-37.2	0	0	0	112	Y173 T189 L248 F255	Y173-P253 HydrophobicContact CD2-CB 3.63Å; Y173-P253 HydrophobicContact CE2-CB 4.34Å; Y173-P253 HydrophobicContact CG-CB 3.81Å; T189-P253 HydrophobicContact CG2-CB 3.6Å; L248-P253 HydrophobicContact CB-CG 4.33Å; L248-P253 HydrophobicContact CD2-CG 4.25Å; L248-P253 WeakPolarHBondContact O-CD 3.31Å; P253-F255 HydrophobicContact CB-CZ 4.46Å; P253-F255 HydrophobicContact CG-CD2 4.17Å; P253-F255 HydrophobicContact CG-CE1 4.19Å; P253-F255 HydrophobicContact CG-CE2 3.58Å; P253-F255 HydrophobicContact CG-CZ 3.58Å; P253-F255 PolarHBondContact O-N 3Å
254	R	97.6	Very high	97.8	Very high	29 Å²	29	24.5 Å²	24.5	11%	0.109	15%	0.148	C	C	.	.			trans	-83.9	92.8	167.6	-172.2	-176.8	175.1	-178	3.2	110.4	Y173 N174 D175 K181 Y186 Y256	Y173-R254 WeakPolarHBondContact CA-O 3.49Å; Y173-R254 WeakPolarHBondContact CB-O 3.42Å; N174-R254 PolarHBondContact N-O 3.31Å; N174-R254 VanDerWaalsContact N-O 3.09Å; D175-R254 PolarHBondContact O-NH1 3.38Å; K181-R254 PolarHBondContact O-NH1 3.25Å; Y186-R254 HydrophobicContact CD1-CB 3.82Å; Y186-R254 HydrophobicContact CD1-CG 4.35Å; Y186-R254 HydrophobicContact CD2-CB 3.86Å; Y186-R254 HydrophobicContact CD2-CG 3.9Å; Y186-R254 HydrophobicContact CE1-CB 4.32Å; Y186-R254 HydrophobicContact CE1-CG 4.41Å; Y186-R254 HydrophobicContact CE2-CB 4.37Å; Y186-R254 HydrophobicContact CE2-CG 3.97Å; Y186-R254 HydrophobicContact CG-CB 3.56Å; Y186-R254 HydrophobicContact CG-CG 4.09Å; R254-Y256 PolarHBondContact O-N 3.25Å
255	F	98	Very high	97.6	Very high	29 Å²	29	26.6 Å²	26.6	13%	0.127	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	125.5	168	-67.6	-60.5	0	0	0	110.1	A171 L172 Y173 L248 P253 C258 L271 L274	A171-F255 HydrophobicContact CB-CD1 3.72Å; A171-F255 HydrophobicContact CB-CE1 3.44Å; A171-F255 VanDerWaalsContact CB-CE1 3.44Å; A171-F255 HydrophobicContact CB-CZ 4.18Å; L172-F255 WeakPolarHBondContact O-CA 3.4Å; Y173-F255 HydrophobicContact CD1-CD1 4.02Å; Y173-F255 AromaticContact CD1-CE1 3.44Å; Y173-F255 HydrophobicContact CD1-CE1 3.44Å; Y173-F255 VanDerWaalsContact CD1-CE1 3.44Å; Y173-F255 HydrophobicContact CD1-CZ 4.38Å; Y173-F255 HydrophobicContact CE1-CE1 4.32Å; Y173-F255 HydrophobicContact CG-CD1 4.16Å; Y173-F255 AromaticContact CG-CE1 3.88Å; Y173-F255 HydrophobicContact CG-CE1 3.88Å; L248-F255 HydrophobicContact CD1-CZ 4.2Å; P253-F255 HydrophobicContact CB-CZ 4.46Å; P253-F255 HydrophobicContact CG-CD2 4.17Å; P253-F255 HydrophobicContact CG-CE1 4.19Å; P253-F255 HydrophobicContact CG-CE2 3.58Å; P253-F255 HydrophobicContact CG-CZ 3.58Å; P253-F255 PolarHBondContact O-N 3Å; F255-C258 HydrophobicContact CB-CB 4.39Å; F255-L271 HydrophobicContact CE2-CD1 3.96Å; F255-L271 HydrophobicContact CZ-CD1 3.75Å; F255-L274 HydrophobicContact CD2-CB 3.76Å; F255-L274 HydrophobicContact CE2-CB 3.47Å; F255-L274 VanDerWaalsContact CE2-CB 3.47Å; F255-L274 HydrophobicContact CE2-CD1 4.1Å; F255-L274 HydrophobicContact CE2-CG 4.38Å
256	Y	97.1	Very high	97.5	Very high	29 Å²	29	30.4 Å²	30.4	11%	0.114	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	-13	177.2	64.2	-89.3	0	0	0	112.9	L172 N174 A177 P178 P211 F213 R254	L172-Y256 VanDerWaalsContact C-CE1 3.49Å; L172-Y256 HydrophobicContact CB-CD1 4.45Å; L172-Y256 HydrophobicContact CB-CE1 3.74Å; L172-Y256 HydrophobicContact CB-CE2 3.88Å; L172-Y256 VanDerWaalsContact CB-CZ 3.42Å; L172-Y256 WeakPolarHBondContact CB-OH 3.49Å; L172-Y256 HydrophobicContact CD1-CE2 4.08Å; L172-Y256 VanDerWaalsContact O-CD1 3.31Å; L172-Y256 WeakPolarHBondContact O-CD1 3.05Å; L172-Y256 WeakPolarHBondContact O-CE1 3.16Å; L172-Y256 PolarHBondContact O-N 2.93Å; N174-Y256 HydrophobicContact CB-CD1 4.37Å; N174-Y256 HydrophobicContact CB-CE1 3.96Å; A177-Y256 HydrophobicContact CB-CD1 3.5Å; A177-Y256 VanDerWaalsContact CB-CD1 3.5Å; A177-Y256 HydrophobicContact CB-CD2 4.19Å; A177-Y256 HydrophobicContact CB-CE1 4.13Å; A177-Y256 HydrophobicContact CB-CG 3.53Å; P178-Y256 HydrophobicContact CG-CE2 4.15Å; P211-Y256 WeakPolarHBondContact CD-OH 3.39Å; P211-Y256 WeakPolarHBondContact CG-OH 3.27Å; P211-Y256 PolarHBondContact O-OH 2.98Å; F213-Y256 HydrophobicContact CD1-CD2 4.45Å; F213-Y256 AromaticContact CE1-CD2 3.86Å; F213-Y256 HydrophobicContact CE1-CD2 3.86Å; F213-Y256 HydrophobicContact CE1-CE2 4.48Å; F213-Y256 HydrophobicContact CE2-CD2 4.34Å; F213-Y256 AromaticContact CZ-CD2 3.79Å; F213-Y256 HydrophobicContact CZ-CD2 3.79Å; F213-Y256 HydrophobicContact CZ-CE2 4.44Å; R254-Y256 PolarHBondContact O-N 3.25Å
257	N	97.3	Very high	97.5	Very high	25 Å²	25	31.1 Å²	31.1	13%	0.134	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	122.5	166.3	-163.5	-31.4	0	0	0	107.9	Y170 L172 F213 P214	Y170-N257 HydrophobicContact CE2-CB 4.47Å; Y170-N257 WeakPolarHBondContact CE2-OD1 3.22Å; Y170-N257 PolarHBondContact OH-OD1 2.87Å; L172-N257 HydrophobicContact CB-CB 4.44Å; L172-N257 HydrophobicContact CD1-CB 4.2Å; L172-N257 HydrophobicContact CG-CB 4.43Å; L172-N257 PolarHBondContact N-O 2.72Å; F213-N257 HydrophobicContact CD1-CB 4.43Å; F213-N257 HydrophobicContact CE1-CB 4.47Å; P214-N257 VanDerWaalsContact CD-ND2 3.32Å; P214-N257 WeakPolarHBondContact CD-ND2 3.34Å
258	C	97.4	Very high	97.4	Very high	33 Å²	33	31.1 Å²	31.1	22%	0.223	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	142.5	-177.9	175.2	0	0	0	0	110.5	Y170 A171 F255 C275	Y170-C258 WeakPolarHBondContact O-CA 3.41Å; Y170-C258 PolarHBondContact O-SG 2.88Å; A171-C258 HydrophobicContact CB-CB 4.19Å; F255-C258 HydrophobicContact CB-CB 4.39Å; C258-C275 HydrophobicContact CB-CB 3.58Å; C258-C275 WeakPolarHBondContact CB-SG 3.32Å; C258-C275 WeakPolarHBondContact SG-CB 3.2Å; C258-C275 CovalentContact SG-SG 2.01Å; C258-C275 PolarHBondContact SG-SG 2.84Å
259	S	97.3	Very high	97.3	Very high	32 Å²	32	34 Å²	34	22%	0.224	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	125.1	169.3	-175	0	0	0	0	110	V169 Y170	V169-S259 WeakPolarHBondContact CA-O 3.27Å; V169-S259 WeakPolarHBondContact CG1-O 3.45Å; Y170-S259 PolarHBondContact N-O 3.42Å; Y170-S259 VanDerWaalsContact N-O 3.11Å; Y170-S259 PolarHBondContact O-N 2.99Å
260	V	97.8	Very high	97.3	Very high	19 Å²	19	36.8 Å²	36.8	12%	0.115	23%	0.231	C	C	.	.			trans	-121.5	94.5	170.2	-175.4	0	0	0	0	107.1	V169 F264 L271 L272	V169-V260 HydrophobicContact CG1-CG2 4.14Å; V169-V260 HydrophobicContact CG2-CG1 4.4Å; V260-F264 HydrophobicContact CG1-CB 4.13Å; V260-L271 HydrophobicContact CG2-CD2 4.14Å; V260-L271 HydrophobicContact CG2-CG 3.99Å; V260-L272 HydrophobicContact CB-CD1 4.14Å; V260-L272 HydrophobicContact CG1-CB 4.48Å
261	P	97.3	Very high	97.2	Very high	9 Å²	9	35.2 Å²	35.2	6%	0.058	23%	0.225	C	C	.	.			trans	-61	157.4	-179.9	-23.3	33.5	0	0	0	112.7	N166 S168 A263 F264 S265	N166-P261 HydrophobicContact CB-CB 4.18Å; N166-P261 HydrophobicContact CB-CG 4.49Å; N166-P261 WeakPolarHBondContact O-CB 3.21Å; N166-P261 WeakPolarHBondContact O-CG 3.12Å; S168-P261 WeakPolarHBondContact O-CG 3.03Å; P261-A263 PolarHBondContact O-N 2.88Å; P261-A263 VanDerWaalsContact O-N 3.11Å; P261-F264 HydrophobicContact CB-CD2 4.04Å; P261-F264 HydrophobicContact CB-CE2 4.43Å; P261-F264 HydrophobicContact CG-CD2 4.14Å; P261-F264 HydrophobicContact CG-CE2 4.32Å; P261-F264 PolarHBondContact O-N 2.94Å; P261-S265 PolarHBondContact O-N 3.48Å
262	A	96.9	Very high	97.2	Very high	86 Å²	86	37.1 Å²	37.1	71%	0.711	24%	0.235	S	C	*	.	H	α-helix	trans	-54.5	-35.6	-175.3	0	0	0	0	0	113.5	F264 S265	A262-F264 PolarHBondContact O-N 2.82Å; A262-F264 VanDerWaalsContact O-N 3.14Å; A262-S265 WeakPolarHBondContact O-CB 3.48Å; A262-S265 PolarHBondContact O-N 3.49Å; A262-S265 VanDerWaalsContact O-N 3.09Å; A262-S265 PolarHBondContact O-OG 3.08Å
263	A	96.8	Very high	97.2	Very high	69 Å²	69	39.7 Å²	39.7	57%	0.57	25%	0.248	S	C	*	.	H	α-helix	trans	-57.4	-26.5	177.4	0	0	0	0	0	113.8	P261	P261-A263 PolarHBondContact O-N 2.88Å; P261-A263 VanDerWaalsContact O-N 3.11Å
264	F	97.7	Very high	97.2	Very high	1 Å²	1	39.8 Å²	39.8	0%	0.004	25%	0.248	C	C	.	.	H	α-helix	trans	-100.6	-8.5	-179	-60.8	-87.3	0	0	0	113.3	V169 H197 Y238 V260 P261 A262 A266 D267 L268	V169-F264 HydrophobicContact CG2-CB 3.68Å; V169-F264 HydrophobicContact CG2-CD1 3.67Å; V169-F264 HydrophobicContact CG2-CD2 3.57Å; V169-F264 HydrophobicContact CG2-CE1 4.13Å; V169-F264 HydrophobicContact CG2-CE2 4.06Å; V169-F264 HydrophobicContact CG2-CG 3.35Å; V169-F264 HydrophobicContact CG2-CZ 4.31Å; H197-F264 AromaticContact CD2-CE1 3.43Å; H197-F264 VanDerWaalsContact CD2-CE1 3.43Å; H197-F264 WeakPolarHBondContact CD2-CE1 3.29Å; H197-F264 AromaticContact CD2-CZ 3.59Å; H197-F264 AromaticContact CE1-CD1 3.6Å; H197-F264 AromaticContact CE1-CE1 3.65Å; H197-F264 AromaticContact CG-CE1 3.7Å; H197-F264 AromaticContact ND1-CE1 3.82Å; H197-F264 AromaticContact NE2-CD1 3.62Å; H197-F264 AromaticContact NE2-CE1 3.4Å; H197-F264 WeakPolarHBondContact NE2-CE1 3.48Å; H197-F264 AromaticContact NE2-CZ 3.71Å; Y238-F264 AromaticContact CE2-CD1 3.79Å; Y238-F264 HydrophobicContact CE2-CD1 3.79Å; Y238-F264 HydrophobicContact CE2-CE1 4.03Å; V260-F264 HydrophobicContact CG1-CB 4.13Å; P261-F264 HydrophobicContact CB-CD2 4.04Å; P261-F264 HydrophobicContact CB-CE2 4.43Å; P261-F264 HydrophobicContact CG-CD2 4.14Å; P261-F264 HydrophobicContact CG-CE2 4.32Å; P261-F264 PolarHBondContact O-N 2.94Å; A262-F264 PolarHBondContact O-N 2.82Å; A262-F264 VanDerWaalsContact O-N 3.14Å; F264-A266 PolarHBondContact O-N 3.37Å; F264-D267 PolarHBondContact O-N 3.28Å; F264-L268 HydrophobicContact CB-CD1 4.32Å; F264-L268 WeakPolarHBondContact O-CB 3.23Å; F264-L268 PolarHBondContact O-N 2.92Å
265	S	94.8	Very high	97.1	Very high	44 Å²	44	40 Å²	40	31%	0.308	25%	0.254	S	S	.	.	H	α-helix	trans	-68.2	-32.7	-166	63.8	0	0	0	0	113.9	P261 A262	P261-S265 PolarHBondContact O-N 3.48Å; A262-S265 WeakPolarHBondContact O-CB 3.48Å; A262-S265 PolarHBondContact O-N 3.49Å; A262-S265 VanDerWaalsContact O-N 3.09Å; A262-S265 PolarHBondContact O-OG 3.08Å
266	A	96.6	Very high	97	Very high	83 Å²	83	45.9 Å²	45.9	69%	0.686	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-40.9	177.6	0	0	0	0	0	112	F264	F264-A266 PolarHBondContact O-N 3.37Å
267	D	97.1	Very high	96.8	Very high	86 Å²	86	46.3 Å²	46.3	46%	0.46	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-25.9	-177.2	-66	-15.2	0	0	0	112.5	Y238 L242 F264 P269	Y238-D267 VanDerWaalsContact OH-CB 3.23Å; Y238-D267 WeakPolarHBondContact OH-CB 3.46Å; Y238-D267 PolarHBondContact OH-OD2 3.24Å; L242-D267 HydrophobicContact CD2-CB 4.04Å; F264-D267 PolarHBondContact O-N 3.28Å; D267-P269 WeakPolarHBondContact O-CD 3.39Å
268	L	97.3	Very high	96.7	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.01	31%	0.306	C	S	.	.			trans	-121.1	49.5	-174.5	-67.9	170.4	0	0	0	114	V169 F195 Y238 L242 A245 F264 Q270 L271 L272	V169-L268 HydrophobicContact CG2-CD1 4.38Å; F195-L268 HydrophobicContact CE2-CD1 3.59Å; F195-L268 HydrophobicContact CZ-CD1 3.54Å; Y238-L268 HydrophobicContact CE2-CD1 4.38Å; L242-L268 HydrophobicContact CD2-CD2 3.67Å; L242-L268 HydrophobicContact CD2-CG 4.08Å; A245-L268 HydrophobicContact CB-CD2 3.8Å; F264-L268 HydrophobicContact CB-CD1 4.32Å; F264-L268 WeakPolarHBondContact O-CB 3.23Å; F264-L268 PolarHBondContact O-N 2.92Å; L268-Q270 VanDerWaalsContact C-N 3.27Å; L268-Q270 PolarHBondContact O-N 2.95Å; L268-L271 HydrophobicContact CB-CB 4.2Å; L268-L271 HydrophobicContact CD1-CD2 4.31Å; L268-L271 PolarHBondContact O-N 2.84Å; L268-L272 PolarHBondContact O-N 2.69Å
269	P	96.8	Very high	96.5	Very high	64 Å²	64	50.9 Å²	50.9	42%	0.416	31%	0.312	S	S	.	.	H	α-helix	trans	-63.4	-34.9	-176.8	26.5	-34.7	0	0	0	112.2	D267 L272 Q273	D267-P269 WeakPolarHBondContact O-CD 3.39Å; P269-L272 PolarHBondContact O-N 3Å; P269-Q273 WeakPolarHBondContact O-CG 3.44Å; P269-Q273 PolarHBondContact O-N 2.99Å
270	Q	96.6	Very high	96.4	Very high	64 Å²	64	49.5 Å²	49.5	30%	0.299	30%	0.303	S	S	.	.	H	α-helix	trans	-67.6	-43.1	178.4	-70	178.5	-34.8	0	0	112.2	Q246 V249 L268 L272 Q273 L274	Q246-Q270 VanDerWaalsContact CG-OE1 3.25Å; V249-Q270 HydrophobicContact CG2-CB 3.74Å; V249-Q270 HydrophobicContact CG2-CG 3.99Å; L268-Q270 VanDerWaalsContact C-N 3.27Å; L268-Q270 PolarHBondContact O-N 2.95Å; Q270-L272 VanDerWaalsContact C-N 3.33Å; Q270-L272 PolarHBondContact O-N 2.86Å; Q270-Q273 PolarHBondContact O-N 3.22Å; Q270-L274 WeakPolarHBondContact O-CG 3.24Å; Q270-L274 PolarHBondContact O-N 3Å
271	L	97.9	Very high	96.2	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.005	33%	0.333	C	S	.	.	H	α-helix	trans	-64.7	-41.1	176.8	-174.9	61	0	0	0	110.6	V169 L193 F195 A245 F255 V260 L268 Q273 L274 C275	V169-L271 HydrophobicContact CG1-CD2 3.81Å; L193-L271 HydrophobicContact CD1-CD1 4.28Å; L193-L271 HydrophobicContact CD1-CD2 4.42Å; F195-L271 HydrophobicContact CE1-CD2 4.44Å; F195-L271 HydrophobicContact CZ-CD2 4.13Å; A245-L271 HydrophobicContact CB-CB 4.21Å; F255-L271 HydrophobicContact CE2-CD1 3.96Å; F255-L271 HydrophobicContact CZ-CD1 3.75Å; V260-L271 HydrophobicContact CG2-CD2 4.14Å; V260-L271 HydrophobicContact CG2-CG 3.99Å; L268-L271 HydrophobicContact CB-CB 4.2Å; L268-L271 HydrophobicContact CD1-CD2 4.31Å; L268-L271 PolarHBondContact O-N 2.84Å; L271-Q273 VanDerWaalsContact C-N 3.34Å; L271-Q273 PolarHBondContact O-N 3.23Å; L271-L274 PolarHBondContact O-N 3.29Å; L271-C275 WeakPolarHBondContact O-CB 3.45Å; L271-C275 PolarHBondContact O-N 2.57Å; L271-C275 PolarHBondContact O-SG 2.96Å
272	L	97.1	Very high	96	Very high	47 Å²	47	56 Å²	56	25%	0.246	34%	0.343	C	S	.	.	H	α-helix	trans	-58.9	-43.5	174.9	-180	64.1	0	0	0	112.1	V260 L268 P269 Q270 C275 K276	V260-L272 HydrophobicContact CB-CD1 4.14Å; V260-L272 HydrophobicContact CG1-CB 4.48Å; L268-L272 PolarHBondContact O-N 2.69Å; P269-L272 PolarHBondContact O-N 3Å; Q270-L272 VanDerWaalsContact C-N 3.33Å; Q270-L272 PolarHBondContact O-N 2.86Å; L272-C275 PolarHBondContact O-N 2.84Å; L272-K276 WeakPolarHBondContact O-CG 3.4Å; L272-K276 PolarHBondContact O-N 3.05Å
273	Q	97.4	Very high	95.7	Very high	79 Å²	79	57.1 Å²	57.1	37%	0.369	35%	0.345	S	S	.	.	H	α-helix	trans	-62.3	-48.1	175.9	-74.5	176.9	17.3	0	0	111.7	P269 Q270 L271 C275 K276 G277 S278 P280	P269-Q273 WeakPolarHBondContact O-CG 3.44Å; P269-Q273 PolarHBondContact O-N 2.99Å; Q270-Q273 PolarHBondContact O-N 3.22Å; L271-Q273 VanDerWaalsContact C-N 3.34Å; L271-Q273 PolarHBondContact O-N 3.23Å; Q273-C275 VanDerWaalsContact C-N 3.3Å; Q273-C275 PolarHBondContact O-N 3.42Å; Q273-K276 PolarHBondContact O-N 3.16Å; Q273-K276 VanDerWaalsContact O-N 3.1Å; Q273-G277 PolarHBondContact O-N 3Å; Q273-S278 WeakPolarHBondContact O-CB 3.4Å; Q273-S278 PolarHBondContact O-N 3.29Å; Q273-P280 HydrophobicContact CB-CG 4.01Å
274	L	97.8	Very high	95.7	Very high	4 Å²	4	56 Å²	56	2%	0.021	34%	0.336	C	S	.	.	H	α-helix	trans	-60.5	-39.9	178.2	-67.6	167.3	0	0	0	111.8	L248 V249 Y252 F255 Q270 L271 K276 G277 S278 P280	L248-L274 HydrophobicContact CB-CD1 4.08Å; V249-L274 HydrophobicContact CG2-CD1 4.25Å; Y252-L274 HydrophobicContact CD2-CD2 3.72Å; Y252-L274 HydrophobicContact CE2-CD2 4.17Å; F255-L274 HydrophobicContact CD2-CB 3.76Å; F255-L274 HydrophobicContact CE2-CB 3.47Å; F255-L274 VanDerWaalsContact CE2-CB 3.47Å; F255-L274 HydrophobicContact CE2-CD1 4.1Å; F255-L274 HydrophobicContact CE2-CG 4.38Å; Q270-L274 WeakPolarHBondContact O-CG 3.24Å; Q270-L274 PolarHBondContact O-N 3Å; L271-L274 PolarHBondContact O-N 3.29Å; L274-K276 PolarHBondContact O-N 2.73Å; L274-G277 WeakPolarHBondContact O-CA 3.39Å; L274-G277 PolarHBondContact O-N 3.02Å; L274-S278 WeakPolarHBondContact CA-O 3.23Å; L274-P280 HydrophobicContact CD2-CG 4.11Å; L274-P280 HydrophobicContact CG-CG 4.05Å
275	C	96.9	Very high	95.7	Very high	35 Å²	35	58.8 Å²	58.8	24%	0.236	35%	0.351	C	S	.	.	H	α-helix	trans	-66.4	-25	177.9	-70.2	0	0	0	0	113.5	C258 L271 L272 Q273 G277	C258-C275 HydrophobicContact CB-CB 3.58Å; C258-C275 WeakPolarHBondContact CB-SG 3.32Å; C258-C275 WeakPolarHBondContact SG-CB 3.2Å; C258-C275 CovalentContact SG-SG 2.01Å; C258-C275 PolarHBondContact SG-SG 2.84Å; L271-C275 WeakPolarHBondContact O-CB 3.45Å; L271-C275 PolarHBondContact O-N 2.57Å; L271-C275 PolarHBondContact O-SG 2.96Å; L272-C275 PolarHBondContact O-N 2.84Å; Q273-C275 VanDerWaalsContact C-N 3.3Å; Q273-C275 PolarHBondContact O-N 3.42Å; C275-G277 PolarHBondContact O-N 3.39Å
276	K	95.9	Very high	95.8	Very high	151 Å²	151	59.5 Å²	59.5	66%	0.657	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	5	170	-67	175	-179.4	-179.7	0	113.1	L272 Q273 L274 S278	L272-K276 WeakPolarHBondContact O-CG 3.4Å; L272-K276 PolarHBondContact O-N 3.05Å; Q273-K276 PolarHBondContact O-N 3.16Å; Q273-K276 VanDerWaalsContact O-N 3.1Å; L274-K276 PolarHBondContact O-N 2.73Å; K276-S278 PolarHBondContact O-N 3.35Å
277	G	93.1	Very high	95.9	Very high	39 Å²	39	56.1 Å²	56.1	40%	0.402	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.9	13.5	-174.8	0	0	0	0	0	113.7	Q273 L274 C275	Q273-G277 PolarHBondContact O-N 3Å; L274-G277 WeakPolarHBondContact O-CA 3.39Å; L274-G277 PolarHBondContact O-N 3.02Å; C275-G277 PolarHBondContact O-N 3.39Å
278	S	94.6	Very high	95.9	Very high	58 Å²	58	55 Å²	55	41%	0.406	32%	0.318	S	S	.	.			trans	-85.3	148.1	175.4	-59.6	0	0	0	0	110	Q273 L274 K276 P280	Q273-S278 WeakPolarHBondContact O-CB 3.4Å; Q273-S278 PolarHBondContact O-N 3.29Å; L274-S278 WeakPolarHBondContact CA-O 3.23Å; K276-S278 PolarHBondContact O-N 3.35Å; S278-P280 WeakPolarHBondContact O-CD 3.23Å
279	R	93.1	Very high	96	Very high	95 Å²	95	58.5 Å²	58.5	36%	0.358	33%	0.333	S	S	.	.			trans	-102.3	106.7	179.3	-170.7	168.4	-170.7	-175.9	0.6	110.3	Y252 E306	Y252-R279 HydrophobicContact CD2-CB 4.18Å; Y252-R279 HydrophobicContact CD2-CG 3.77Å; Y252-R279 HydrophobicContact CE2-CB 3.56Å; Y252-R279 HydrophobicContact CE2-CG 3.67Å; Y252-R279 HydrophobicContact CG-CG 4.28Å; R279-E306 IonicContact CZ-OE1 2.63Å; R279-E306 IonicContact CZ-OE2 3.56Å; R279-E306 IonicContact NH1-OE1 3.17Å; R279-E306 PolarHBondContact NH1-OE1 3.33Å; R279-E306 IonicContact NH1-OE2 3.34Å; R279-E306 IonicContact NH2-OE1 2.95Å; R279-E306 PolarHBondContact NH2-OE1 3.1Å; R279-E306 IonicContact NH2-OE2 3.82Å; R279-E306 PolarHBondContact NH2-OE2 3.2Å
280	P	94.3	Very high	96.1	Very high	3 Å²	3	57.6 Å²	57.6	2%	0.019	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-63.1	149.9	177.4	-17	30	0	0	0	110.7	V249 Q273 L274 S278	V249-P280 HydrophobicContact CG1-CB 3.74Å; V249-P280 HydrophobicContact CG1-CG 4.06Å; V249-P280 HydrophobicContact CG2-CB 4.28Å; V249-P280 HydrophobicContact CG2-CG 4.06Å; Q273-P280 HydrophobicContact CB-CG 4.01Å; L274-P280 HydrophobicContact CD2-CG 4.11Å; L274-P280 HydrophobicContact CG-CG 4.05Å; S278-P280 WeakPolarHBondContact O-CD 3.23Å
281	P	93.3	Very high	96.2	Very high	116 Å²	116	54.5 Å²	54.5	75%	0.753	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-62.7	141.2	177.8	26.6	-34	0	0	0	110.9
282	L	94.3	Very high	96.2	Very high	49 Å²	49	58.7 Å²	58.7	26%	0.257	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-93.7	131.6	177.6	-68.8	174.2	0	0	0	110.3	V249 Y250	V249-L282 HydrophobicContact CG1-CD2 3.86Å; Y250-L282 HydrophobicContact CD1-CD2 3.78Å; Y250-L282 HydrophobicContact CE1-CD2 4.28Å; Y250-L282 HydrophobicContact CG-CD2 4.34Å
283	S	89.8	Confident	96.3	Very high	110 Å²	110	56.8 Å²	56.8	77%	0.769	33%	0.325	S	S	*	.	S	Bend	trans	-83.1	-19.6	170.8	56	0	0	0	0	113.2	Y250	Y250-S283 PolarHBondContact OH-OG 3.2Å
284	A	96.8	Very high	96.3	Very high	45 Å²	45	55.3 Å²	55.3	37%	0.372	32%	0.321	S	S	.	.	S	Bend	trans	-155.8	169.8	179.4	0	0	0	0	0	109.6	Y250 K286	Y250-A284 HydrophobicContact CE1-CB 4.26Å; Y250-A284 WeakPolarHBondContact CE1-O 3.32Å; A284-K286 VanDerWaalsContact C-N 3.3Å
285	N	97.4	Very high	96.3	Very high	60 Å²	60	59.4 Å²	59.4	32%	0.321	35%	0.35	S	S	.	.	S	Bend	trans	-82.2	-7.6	175.4	64.7	0.7	0	0	0	114	S305 H307 F308	N285-S305 PolarHBondContact O-N 3.11Å; N285-S305 PolarHBondContact O-OG 3.21Å; N285-H307 HydrophobicContact CB-CB 3.64Å; N285-H307 PolarHBondContact ND2-O 3.37Å; N285-F308 HydrophobicContact CB-CB 4.18Å
286	K	98.1	Very high	96.4	Very high	59 Å²	59	60 Å²	60	26%	0.257	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	161.8	179.5	68.2	-165.9	-178.7	174.8	0	111.5	A284 A303 K304 F308 W316	A284-K286 VanDerWaalsContact C-N 3.3Å; K286-A303 CarbonylContact C-O 3.56Å; K286-A303 VanDerWaalsContact CA-O 3.22Å; K286-A303 WeakPolarHBondContact CA-O 3.32Å; K286-A303 WeakPolarHBondContact CB-O 3.47Å; K286-K304 HydrophobicContact CB-CB 4.24Å; K286-F308 HydrophobicContact CD-CD2 3.58Å; K286-F308 HydrophobicContact CD-CE2 3.83Å; K286-F308 HydrophobicContact CD-CG 4.09Å; K286-W316 HydrophobicContact CB-CE3 4.41Å; K286-W316 HydrophobicContact CB-CH2 3.6Å; K286-W316 HydrophobicContact CB-CZ2 3.97Å; K286-W316 HydrophobicContact CB-CZ3 3.84Å; K286-W316 HydrophobicContact CD-CD2 3.73Å; K286-W316 HydrophobicContact CD-CE3 4.05Å; K286-W316 HydrophobicContact CD-CG 4.23Å; K286-W316 HydrophobicContact CD-CH2 4.16Å; K286-W316 HydrophobicContact CD-CZ2 3.82Å; K286-W316 HydrophobicContact CD-CZ3 4.26Å; K286-W316 HydrophobicContact CG-CH2 3.98Å; K286-W316 HydrophobicContact CG-CZ2 3.79Å; K286-W316 HydrophobicContact CG-CZ3 4.42Å
287	G	98.1	Very high	96.4	Very high	12 Å²	12	55 Å²	55	12%	0.124	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	152.4	177	0	0	0	0	0	112.6	Q247 A303 W316	Q247-G287 PolarHBondContact OE1-O 2.91Å; G287-A303 PolarHBondContact N-O 3.44Å; G287-A303 PolarHBondContact O-N 2.97Å; G287-W316 WeakPolarHBondContact O-CH2 3.46Å
288	V	98.5	Very high	96.7	Very high	63 Å²	63	59.4 Å²	59.4	38%	0.382	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	138.5	175.8	152.1	0	0	0	0	109.8	V300 S301 F302 W316	V288-V300 HydrophobicContact CG1-CG1 3.96Å; V288-S301 VanDerWaalsContact CA-O 3.31Å; V288-S301 WeakPolarHBondContact CA-O 3.26Å; V288-F302 HydrophobicContact CG2-CB 4.4Å; V288-F302 HydrophobicContact CG2-CD1 3.21Å; V288-F302 HydrophobicContact CG2-CD2 4.43Å; V288-F302 HydrophobicContact CG2-CE1 3.41Å; V288-F302 VanDerWaalsContact CG2-CE1 3.41Å; V288-F302 HydrophobicContact CG2-CG 3.77Å; V288-F302 HydrophobicContact CG2-CZ 4.11Å; V288-W316 HydrophobicContact CG2-CH2 4.05Å; V288-W316 HydrophobicContact CG2-CZ2 3.61Å
289	K	98.5	Very high	96.9	Very high	75 Å²	75	56.7 Å²	56.7	33%	0.326	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	133.1	172.9	-68	-68	-177.9	172.4	0	110.8	Q246 Q247 V300 S301	Q246-K289 VanDerWaalsContact OE1-CE 3.25Å; Q247-K289 HydrophobicContact CG-CB 4.11Å; Q247-K289 HydrophobicContact CG-CG 3.86Å; K289-V300 WeakPolarHBondContact O-CA 3.3Å; K289-S301 PolarHBondContact N-O 2.99Å; K289-S301 PolarHBondContact O-N 3.3Å
290	A	98.6	Very high	97.1	Very high	44 Å²	44	52.6 Å²	52.6	36%	0.364	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	135.7	161.8	0	0	0	0	0	108.7	F292 F299	A290-F292 HydrophobicContact CB-CE2 4.16Å; A290-F292 HydrophobicContact CB-CZ 4.49Å; A290-F299 WeakPolarHBondContact CA-O 3.39Å
291	L	98.8	Very high	97.4	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	148.7	175.7	-59.7	175.2	0	0	0	108.6	W202 Y236 Q240 I244 F299	W202-L291 HydrophobicContact CE3-CD1 4.36Å; W202-L291 HydrophobicContact CZ3-CD1 3.91Å; Y236-L291 HydrophobicContact CE1-CB 3.86Å; Q240-L291 VanDerWaalsContact OE1-CA 3.31Å; I244-L291 HydrophobicContact CD1-CD1 4.44Å; I244-L291 HydrophobicContact CG1-CD1 3.88Å; I244-L291 HydrophobicContact CG1-CD2 4.11Å; L291-F299 HydrophobicContact CB-CB 4.34Å; L291-F299 PolarHBondContact N-O 3.46Å; L291-F299 PolarHBondContact O-N 3.45Å; L291-F299 VanDerWaalsContact O-O 3.06Å
292	F	98.8	Very high	97.6	Very high	88 Å²	88	47.2 Å²	47.2	39%	0.386	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	125.6	179.8	-62	-90.9	0	0	0	109.3	Y236 Q240 A290 D297 R298	Y236-F292 VanDerWaalsContact CD1-O 3.25Å; Y236-F292 WeakPolarHBondContact CD1-O 3.36Å; Q240-F292 WeakPolarHBondContact CG-O 3.32Å; A290-F292 HydrophobicContact CB-CE2 4.16Å; A290-F292 HydrophobicContact CB-CZ 4.49Å; F292-D297 WeakPolarHBondContact CA-O 3.49Å; F292-R298 HydrophobicContact CD1-CB 4.14Å; F292-R298 HydrophobicContact CD1-CG 4.43Å; F292-R298 HydrophobicContact CE1-CB 3.92Å; F292-R298 HydrophobicContact CE1-CG 3.92Å; F292-R298 HydrophobicContact CZ-CG 4.34Å
293	S	98.7	Very high	97.8	Very high	7 Å²	7	44.9 Å²	44.9	5%	0.049	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-63.4	170.2	173.1	69.2	0	0	0	0	111.5	D105 T235 S295 G296 D297	D105-S293 VanDerWaalsContact CG-CB 3.49Å; D105-S293 VanDerWaalsContact OD1-CB 3.24Å; D105-S293 WeakPolarHBondContact OD1-CB 3.36Å; D105-S293 PolarHBondContact OD1-OG 3.27Å; D105-S293 VanDerWaalsContact OD1-OG 3.07Å; D105-S293 WeakPolarHBondContact OD2-CB 3.3Å; D105-S293 PolarHBondContact OD2-OG 3.1Å; T235-S293 CarbonylContact O-C 3.53Å; T235-S293 VanDerWaalsContact O-CA 3.27Å; T235-S293 WeakPolarHBondContact O-CA 3.29Å; T235-S293 WeakPolarHBondContact O-CB 3.12Å; S293-S295 PolarHBondContact O-N 3.02Å; S293-G296 PolarHBondContact O-N 3.15Å; S293-G296 PolarHBondContact OG-N 3.39Å; S293-D297 PolarHBondContact N-O 3.27Å; S293-D297 WeakPolarHBondContact OG-CB 3.42Å; S293-D297 PolarHBondContact OG-N 3.47Å
294	V	98.2	Very high	98.3	Very high	48 Å²	48	39.7 Å²	39.7	29%	0.291	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-27.7	177.4	-67.2	0	0	0	0	113.1	D105 Q199 T235 Q237	D105-V294 WeakPolarHBondContact OD1-CG2 3.4Å; D105-V294 PolarHBondContact OD1-N 3.5Å; Q199-V294 HydrophobicContact CB-CG1 4.47Å; T235-V294 HydrophobicContact CG2-CB 4.39Å; T235-V294 HydrophobicContact CG2-CG1 3.78Å; T235-V294 HydrophobicContact CG2-CG2 3.65Å; T235-V294 PolarHBondContact O-N 2.99Å; Q237-V294 HydrophobicContact CG-CG1 4.03Å
295	S	97.2	Very high	98.3	Very high	90 Å²	90	37.5 Å²	37.5	63%	0.629	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.9	2.4	176.7	-45.5	0	0	0	0	113.5	D105 S293	D105-S295 WeakPolarHBondContact CB-OG 3.36Å; D105-S295 WeakPolarHBondContact OD1-CB 3.35Å; D105-S295 PolarHBondContact OD1-N 2.81Å; D105-S295 PolarHBondContact OD1-OG 2.98Å; S293-S295 PolarHBondContact O-N 3.02Å
296	G	97.7	Very high	98.3	Very high	47 Å²	47	36.8 Å²	36.8	49%	0.485	21%	0.207	S	C	.	.			trans	92	4.1	173.9	0	0	0	0	0	115.8	S293 R298	S293-G296 PolarHBondContact O-N 3.15Å; S293-G296 PolarHBondContact OG-N 3.39Å; G296-R298 PolarHBondContact O-N 3.09Å
297	D	97.6	Very high	98.2	Very high	47 Å²	47	39.3 Å²	39.3	25%	0.251	22%	0.219	S	C	.	.			trans	-64	127.8	173.8	-91.9	7.9	0	0	0	109.9	W106 F292 S293 F299 N404	W106-D297 PolarHBondContact NE1-OD2 3.21Å; F292-D297 WeakPolarHBondContact CA-O 3.49Å; S293-D297 PolarHBondContact N-O 3.27Å; S293-D297 WeakPolarHBondContact OG-CB 3.42Å; S293-D297 PolarHBondContact OG-N 3.47Å; D297-F299 HydrophobicContact CB-CE2 3.94Å; D297-F299 WeakPolarHBondContact O-CD2 3.37Å; D297-N404 PolarHBondContact OD2-ND2 2.93Å
298	R	98.3	Very high	98.2	Very high	132 Å²	132	39.2 Å²	39.2	50%	0.498	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	127	-177.9	-178.8	176.8	167.6	165.8	-5	111.1	F292 G296	F292-R298 HydrophobicContact CD1-CB 4.14Å; F292-R298 HydrophobicContact CD1-CG 4.43Å; F292-R298 HydrophobicContact CE1-CB 3.92Å; F292-R298 HydrophobicContact CE1-CG 3.92Å; F292-R298 HydrophobicContact CZ-CG 4.34Å; G296-R298 PolarHBondContact O-N 3.09Å
299	F	98.8	Very high	98.1	Very high	1 Å²	1	39.8 Å²	39.8	0%	0.004	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	155.6	168	-63.3	-90.7	0	0	0	110.5	W106 V234 A290 L291 D297 I400 C401	W106-F299 HydrophobicContact CB-CZ 4.34Å; W106-F299 AromaticContact CD1-CZ 3.95Å; W106-F299 HydrophobicContact CG-CZ 4.11Å; V234-F299 HydrophobicContact CG1-CD2 4.11Å; V234-F299 HydrophobicContact CG1-CE2 3.69Å; V234-F299 HydrophobicContact CG1-CZ 4.22Å; V234-F299 HydrophobicContact CG2-CD1 4.47Å; V234-F299 HydrophobicContact CG2-CD2 4.47Å; V234-F299 HydrophobicContact CG2-CE1 3.99Å; V234-F299 HydrophobicContact CG2-CE2 4.02Å; V234-F299 HydrophobicContact CG2-CZ 3.76Å; A290-F299 WeakPolarHBondContact CA-O 3.39Å; L291-F299 HydrophobicContact CB-CB 4.34Å; L291-F299 PolarHBondContact N-O 3.46Å; L291-F299 PolarHBondContact O-N 3.45Å; L291-F299 VanDerWaalsContact O-O 3.06Å; D297-F299 HydrophobicContact CB-CE2 3.94Å; D297-F299 WeakPolarHBondContact O-CD2 3.37Å; F299-I400 HydrophobicContact CB-CG2 4.1Å; F299-I400 HydrophobicContact CD1-CG2 3.85Å; F299-I400 HydrophobicContact CG-CG2 4.32Å; F299-C401 CarbonylContact C-O 3.54Å; F299-C401 WeakPolarHBondContact CA-O 3.28Å
300	V	98.8	Very high	98	Very high	8 Å²	8	40 Å²	40	5%	0.048	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	117	172.5	-177.8	0	0	0	0	108.6	V288 K289 F302 C401 Y403	V288-V300 HydrophobicContact CG1-CG1 3.96Å; K289-V300 WeakPolarHBondContact O-CA 3.3Å; V300-F302 HydrophobicContact CB-CE2 4.22Å; V300-F302 HydrophobicContact CG1-CD2 3.97Å; V300-F302 HydrophobicContact CG1-CE2 3.54Å; V300-F302 HydrophobicContact CG1-CZ 4.16Å; V300-C401 HydrophobicContact CB-CB 4.31Å; V300-C401 PolarHBondContact N-O 2.88Å; V300-C401 PolarHBondContact O-N 2.97Å; V300-Y403 HydrophobicContact CG2-CE2 3.88Å
301	S	98.8	Very high	98	Very high	4 Å²	4	38.7 Å²	38.7	3%	0.028	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	118.8	174.5	-170.3	0	0	0	0	109.3	Q247 V288 K289 L399	Q247-S301 PolarHBondContact OE1-O 3.45Å; Q247-S301 PolarHBondContact OE1-OG 3.07Å; V288-S301 VanDerWaalsContact CA-O 3.31Å; V288-S301 WeakPolarHBondContact CA-O 3.26Å; K289-S301 PolarHBondContact N-O 2.99Å; K289-S301 PolarHBondContact O-N 3.3Å; S301-L399 WeakPolarHBondContact CA-O 3.31Å
302	F	98.9	Very high	98	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.009	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	124.2	166.5	-71.5	-99.4	0	0	0	108	V288 V300 W316 V317 V320 L321 G398 L399 C401	V288-F302 HydrophobicContact CG2-CB 4.4Å; V288-F302 HydrophobicContact CG2-CD1 3.21Å; V288-F302 HydrophobicContact CG2-CD2 4.43Å; V288-F302 HydrophobicContact CG2-CE1 3.41Å; V288-F302 VanDerWaalsContact CG2-CE1 3.41Å; V288-F302 HydrophobicContact CG2-CG 3.77Å; V288-F302 HydrophobicContact CG2-CZ 4.11Å; V300-F302 HydrophobicContact CB-CE2 4.22Å; V300-F302 HydrophobicContact CG1-CD2 3.97Å; V300-F302 HydrophobicContact CG1-CE2 3.54Å; V300-F302 HydrophobicContact CG1-CZ 4.16Å; F302-W316 HydrophobicContact CB-CH2 4.13Å; F302-W316 HydrophobicContact CB-CZ3 4.05Å; F302-W316 HydrophobicContact CD1-CD2 4.17Å; F302-W316 AromaticContact CD1-CE2 3.92Å; F302-W316 HydrophobicContact CD1-CE3 4.28Å; F302-W316 AromaticContact CD1-CH2 3.91Å; F302-W316 HydrophobicContact CD1-CH2 3.91Å; F302-W316 AromaticContact CD1-CZ2 3.82Å; F302-W316 HydrophobicContact CD1-CZ2 3.82Å; F302-W316 HydrophobicContact CD1-CZ3 4.15Å; F302-W316 HydrophobicContact CE1-CZ2 4.49Å; F302-V317 HydrophobicContact CB-CG2 4.23Å; F302-V317 HydrophobicContact CD1-CG2 3.75Å; F302-V317 HydrophobicContact CD2-CG2 4.44Å; F302-V317 HydrophobicContact CE1-CG2 4.19Å; F302-V317 HydrophobicContact CE2-CG1 4.49Å; F302-V317 HydrophobicContact CG-CG2 3.9Å; F302-V320 HydrophobicContact CE1-CB 3.98Å; F302-V320 HydrophobicContact CE1-CG1 3.77Å; F302-V320 HydrophobicContact CE1-CG2 4.49Å; F302-V320 HydrophobicContact CZ-CB 4.33Å; F302-V320 HydrophobicContact CZ-CG1 3.89Å; F302-L321 HydrophobicContact CE2-CD2 4.19Å; F302-L321 HydrophobicContact CE2-CG 4.48Å; F302-L321 HydrophobicContact CZ-CD2 4.02Å; F302-L321 HydrophobicContact CZ-CG 4.15Å; F302-G398 CarbonylContact O-C 3.55Å; F302-G398 WeakPolarHBondContact O-CA 3.45Å; F302-L399 HydrophobicContact CB-CB 4.38Å; F302-L399 PolarHBondContact N-O 3.03Å; F302-L399 PolarHBondContact O-N 3.31Å; F302-C401 HydrophobicContact CE2-CB 4.46Å
303	A	98.6	Very high	98	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.008	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	132.9	176.1	0	0	0	0	0	111	Q247 Y250 V251 K286 G287 W316	Q247-A303 HydrophobicContact CB-CB 4.16Å; Y250-A303 HydrophobicContact CD2-CB 4.4Å; V251-A303 HydrophobicContact CG2-CB 3.8Å; K286-A303 CarbonylContact C-O 3.56Å; K286-A303 VanDerWaalsContact CA-O 3.22Å; K286-A303 WeakPolarHBondContact CA-O 3.32Å; K286-A303 WeakPolarHBondContact CB-O 3.47Å; G287-A303 PolarHBondContact N-O 3.44Å; G287-A303 PolarHBondContact O-N 2.97Å; A303-W316 WeakPolarHBondContact O-CH2 3.42Å
304	K	98.4	Very high	97.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	152	171.7	61.4	169.1	-77.6	-174.5	0	111.3	Y250 K286 F308 D310 I312 W316 L386 M393 R395 G396 G397	Y250-K304 CarbonylContact C-O 3.36Å; Y250-K304 CarbonylContact O-C 3.59Å; K286-K304 HydrophobicContact CB-CB 4.24Å; K304-F308 HydrophobicContact CB-CB 4.06Å; K304-F308 HydrophobicContact CB-CD1 4.18Å; K304-F308 HydrophobicContact CB-CG 4.42Å; K304-F308 HydrophobicContact CD-CD1 3.76Å; K304-F308 WeakPolarHBondContact CE-O 3.26Å; K304-F308 PolarHBondContact NZ-O 3.26Å; K304-D310 PolarHBondContact NZ-O 2.87Å; K304-D310 VanDerWaalsContact NZ-O 3.12Å; K304-I312 HydrophobicContact CD-CB 3.91Å; K304-I312 HydrophobicContact CD-CD1 3.95Å; K304-I312 HydrophobicContact CD-CG1 3.94Å; K304-I312 HydrophobicContact CG-CD1 3.88Å; K304-I312 HydrophobicContact CG-CG1 4.33Å; K304-W316 HydrophobicContact CB-CZ3 4.24Å; K304-L386 HydrophobicContact CD-CD1 3.7Å; K304-L386 HydrophobicContact CG-CD1 4.21Å; K304-M393 PolarHBondContact NZ-O 2.77Å; K304-R395 WeakPolarHBondContact CE-O 3.22Å; K304-G396 WeakPolarHBondContact O-CA 3.33Å; K304-G397 VanDerWaalsContact CG-O 3.27Å; K304-G397 WeakPolarHBondContact CG-O 3.44Å; K304-G397 PolarHBondContact N-O 2.84Å; K304-G397 PolarHBondContact O-N 3.2Å; K304-G397 VanDerWaalsContact O-N 3.08Å
305	S	98	Very high	97.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.189	C	C	.	.			trans	-92.1	175.7	161.7	75.3	0	0	0	0	110.9	Y250 N285 H307 F308	Y250-S305 WeakPolarHBondContact O-CA 3.35Å; Y250-S305 WeakPolarHBondContact O-CB 3.21Å; Y250-S305 PolarHBondContact O-N 2.98Å; N285-S305 PolarHBondContact O-N 3.11Å; N285-S305 PolarHBondContact O-OG 3.21Å; S305-H307 PolarHBondContact O-N 3.13Å; S305-H307 PolarHBondContact OG-N 3.43Å; S305-F308 PolarHBondContact O-N 3.01Å
306	E	96.2	Very high	98	Very high	45 Å²	45	29.9 Å²	29.9	21%	0.21	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-14.6	172.2	78	-75	-171.2	0	0	113.9	R279 F308 L394	R279-E306 IonicContact CZ-OE1 2.63Å; R279-E306 IonicContact CZ-OE2 3.56Å; R279-E306 IonicContact NH1-OE1 3.17Å; R279-E306 PolarHBondContact NH1-OE1 3.33Å; R279-E306 IonicContact NH1-OE2 3.34Å; R279-E306 IonicContact NH2-OE1 2.95Å; R279-E306 PolarHBondContact NH2-OE1 3.1Å; R279-E306 IonicContact NH2-OE2 3.82Å; R279-E306 PolarHBondContact NH2-OE2 3.2Å; E306-F308 VanDerWaalsContact C-N 3.3Å; E306-L394 VanDerWaalsContact CB-O 3.3Å; E306-L394 WeakPolarHBondContact CB-O 3.44Å
307	H	97	Very high	98	Very high	111 Å²	111	27.7 Å²	27.7	51%	0.514	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-15.1	176.5	-58.9	-46.8	0	0	0	112.9	N285 S305	N285-H307 HydrophobicContact CB-CB 3.64Å; N285-H307 PolarHBondContact ND2-O 3.37Å; S305-H307 PolarHBondContact O-N 3.13Å; S305-H307 PolarHBondContact OG-N 3.43Å
308	F	97.7	Very high	98.1	Very high	10 Å²	10	25.4 Å²	25.4	4%	0.044	13%	0.128	C	C	.	.			trans	-89.9	104.9	167.4	179.8	-98.2	0	0	0	107.5	N285 K286 K304 S305 E306 D310 W316 M393	N285-F308 HydrophobicContact CB-CB 4.18Å; K286-F308 HydrophobicContact CD-CD2 3.58Å; K286-F308 HydrophobicContact CD-CE2 3.83Å; K286-F308 HydrophobicContact CD-CG 4.09Å; K304-F308 HydrophobicContact CB-CB 4.06Å; K304-F308 HydrophobicContact CB-CD1 4.18Å; K304-F308 HydrophobicContact CB-CG 4.42Å; K304-F308 HydrophobicContact CD-CD1 3.76Å; K304-F308 WeakPolarHBondContact CE-O 3.26Å; K304-F308 PolarHBondContact NZ-O 3.26Å; S305-F308 PolarHBondContact O-N 3.01Å; E306-F308 VanDerWaalsContact C-N 3.3Å; F308-D310 HydrophobicContact CE1-CB 3.77Å; F308-D310 HydrophobicContact CE2-CB 4.33Å; F308-D310 HydrophobicContact CZ-CB 3.63Å; F308-W316 HydrophobicContact CE1-CB 4.13Å; F308-W316 HydrophobicContact CZ-CB 3.73Å; F308-W316 HydrophobicContact CZ-CG 4.38Å; F308-M393 VanDerWaalsContact O-O 3.09Å
309	V	96.9	Very high	98.1	Very high	76 Å²	76	21.6 Å²	21.6	46%	0.461	12%	0.115	S	C	.	.			trans	-96.4	5.5	-166.7	-59.7	0	0	0	0	114.2	M393 L394	V309-M393 WeakPolarHBondContact O-CB 3.18Å; V309-M393 WeakPolarHBondContact O-CE 3.27Å; V309-L394 HydrophobicContact CB-CD2 4.03Å; V309-L394 HydrophobicContact CG1-CD2 3.69Å
310	D	96.9	Very high	98.1	Very high	79 Å²	79	25.4 Å²	25.4	42%	0.422	14%	0.139	S	C	.	.	S	Bend	trans	-87.3	164.2	175.4	-62.2	-43.3	0	0	0	112.4	K304 F308 I312	K304-D310 PolarHBondContact NZ-O 2.87Å; K304-D310 VanDerWaalsContact NZ-O 3.12Å; F308-D310 HydrophobicContact CE1-CB 3.77Å; F308-D310 HydrophobicContact CE2-CB 4.33Å; F308-D310 HydrophobicContact CZ-CB 3.63Å; D310-I312 PolarHBondContact O-N 2.86Å
311	D	97.4	Very high	98	Very high	16 Å²	16	26.3 Å²	26.3	9%	0.086	14%	0.143	C	C	.	.			trans	-60.1	117.9	165.9	177.9	20.9	0	0	0	109.3	Y313 T314 G315 L337 R388	D311-Y313 PolarHBondContact O-N 2.94Å; D311-Y313 WeakPolarHBondContact OD1-CD2 3.49Å; D311-Y313 PolarHBondContact OD1-N 2.03Å; D311-T314 PolarHBondContact O-N 2.84Å; D311-T314 WeakPolarHBondContact OD2-CB 3.33Å; D311-T314 PolarHBondContact OD2-OG1 3.17Å; D311-G315 PolarHBondContact O-N 3.19Å; D311-L337 HydrophobicContact CB-CD1 3.87Å; D311-R388 IonicContact OD2-CZ 3.72Å; D311-R388 IonicContact OD2-NE 2.69Å; D311-R388 PolarHBondContact OD2-NE 3.47Å; D311-R388 IonicContact OD2-NH2 3.65Å; D311-R388 PolarHBondContact OD2-NH2 3.18Å
312	I	98.4	Very high	98	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-35.5	-173.8	-164.1	-179.3	0	0	0	112	K304 D310 W316 V317 L386 L399	K304-I312 HydrophobicContact CD-CB 3.91Å; K304-I312 HydrophobicContact CD-CD1 3.95Å; K304-I312 HydrophobicContact CD-CG1 3.94Å; K304-I312 HydrophobicContact CG-CD1 3.88Å; K304-I312 HydrophobicContact CG-CG1 4.33Å; D310-I312 PolarHBondContact O-N 2.86Å; I312-W316 HydrophobicContact CD1-CE3 4.46Å; I312-W316 HydrophobicContact CD1-CZ3 4.45Å; I312-W316 HydrophobicContact CG1-CE3 3.88Å; I312-W316 HydrophobicContact CG1-CZ3 4.36Å; I312-V317 HydrophobicContact CG1-CG2 4.08Å; I312-V317 WeakPolarHBondContact O-CB 3.48Å; I312-V317 VanDerWaalsContact O-CG2 3.24Å; I312-V317 WeakPolarHBondContact O-CG2 3.43Å; I312-V317 PolarHBondContact O-N 2.93Å; I312-L386 HydrophobicContact CB-CD1 4.27Å; I312-L386 HydrophobicContact CD1-CD1 4.37Å; I312-L386 HydrophobicContact CG2-CB 4.31Å; I312-L386 HydrophobicContact CG2-CD1 4.07Å; I312-L399 HydrophobicContact CD1-CG 4.25Å
313	Y	98.6	Very high	98	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.165	C	C	.	.	I	π-helix	trans	-72	-56.4	-179.3	-56.9	-86.7	0	0	0	110.3	D311 V317 A318 V327 T329 C371 L386 R388 L399	D311-Y313 PolarHBondContact O-N 2.94Å; D311-Y313 WeakPolarHBondContact OD1-CD2 3.49Å; D311-Y313 PolarHBondContact OD1-N 2.03Å; Y313-V317 PolarHBondContact O-N 3.41Å; Y313-A318 WeakPolarHBondContact O-CB 3.16Å; Y313-A318 PolarHBondContact O-N 3.05Å; Y313-V327 HydrophobicContact CD1-CG1 3.76Å; Y313-V327 HydrophobicContact CD1-CG2 4.01Å; Y313-V327 HydrophobicContact CD2-CG1 4.18Å; Y313-V327 HydrophobicContact CE1-CG1 3.77Å; Y313-V327 HydrophobicContact CE2-CG1 4.21Å; Y313-V327 HydrophobicContact CG-CG1 3.97Å; Y313-V327 HydrophobicContact CG-CG2 4.2Å; Y313-T329 HydrophobicContact CE2-CG2 4.09Å; Y313-C371 HydrophobicContact CD1-CB 4.12Å; Y313-C371 HydrophobicContact CE1-CB 4.24Å; Y313-L386 WeakPolarHBondContact CE2-O 3.24Å; Y313-L386 PolarHBondContact OH-O 3.08Å; Y313-R388 HydrophobicContact CD2-CG 3.59Å; Y313-R388 HydrophobicContact CE2-CG 3.88Å; Y313-R388 HydrophobicContact CG-CG 4.47Å; Y313-L399 HydrophobicContact CD1-CD1 3.87Å; Y313-L399 HydrophobicContact CD1-CD2 4.44Å; Y313-L399 HydrophobicContact CE1-CD1 3.76Å; Y313-L399 HydrophobicContact CE1-CD2 3.54Å; Y313-L399 HydrophobicContact CE1-CG 4.31Å
314	T	98.1	Very high	98	Very high	7 Å²	7	32.2 Å²	32.2	4%	0.043	17%	0.174	C	C	.	.	I	π-helix	trans	-71.2	-55.7	-174.1	-49.7	0	0	0	0	112.6	D311 W316 Q319 N340 L343 T347 R388	D311-T314 PolarHBondContact O-N 2.84Å; D311-T314 WeakPolarHBondContact OD2-CB 3.33Å; D311-T314 PolarHBondContact OD2-OG1 3.17Å; T314-W316 VanDerWaalsContact C-N 3.25Å; T314-W316 PolarHBondContact O-N 2.95Å; T314-Q319 PolarHBondContact O-NE2 2.88Å; T314-N340 HydrophobicContact CG2-CB 3.64Å; T314-L343 HydrophobicContact CG2-CD1 4.04Å; T314-T347 WeakPolarHBondContact CA-OG1 3.34Å; T314-T347 WeakPolarHBondContact OG1-CB 3.47Å; T314-R388 PolarHBondContact OG1-NH2 3.27Å
315	G	97.9	Very high	98	Very high	22 Å²	22	32.2 Å²	32.2	23%	0.227	17%	0.174	C	C	.	.	I	π-helix	trans	-81	-1.6	-170.7	0	0	0	0	0	114.1	D311	D311-G315 PolarHBondContact O-N 3.19Å
316	W	98.5	Very high	98	Very high	19 Å²	19	32.2 Å²	32.2	7%	0.072	17%	0.174	C	C	.	.	I	π-helix	trans	-146.8	-63.6	-178.8	-171.1	27.9	0	0	0	114.6	K286 G287 V288 F302 A303 K304 F308 I312 T314 Q319 V320	K286-W316 HydrophobicContact CB-CE3 4.41Å; K286-W316 HydrophobicContact CB-CH2 3.6Å; K286-W316 HydrophobicContact CB-CZ2 3.97Å; K286-W316 HydrophobicContact CB-CZ3 3.84Å; K286-W316 HydrophobicContact CD-CD2 3.73Å; K286-W316 HydrophobicContact CD-CE3 4.05Å; K286-W316 HydrophobicContact CD-CG 4.23Å; K286-W316 HydrophobicContact CD-CH2 4.16Å; K286-W316 HydrophobicContact CD-CZ2 3.82Å; K286-W316 HydrophobicContact CD-CZ3 4.26Å; K286-W316 HydrophobicContact CG-CH2 3.98Å; K286-W316 HydrophobicContact CG-CZ2 3.79Å; K286-W316 HydrophobicContact CG-CZ3 4.42Å; G287-W316 WeakPolarHBondContact O-CH2 3.46Å; V288-W316 HydrophobicContact CG2-CH2 4.05Å; V288-W316 HydrophobicContact CG2-CZ2 3.61Å; F302-W316 HydrophobicContact CB-CH2 4.13Å; F302-W316 HydrophobicContact CB-CZ3 4.05Å; F302-W316 HydrophobicContact CD1-CD2 4.17Å; F302-W316 AromaticContact CD1-CE2 3.92Å; F302-W316 HydrophobicContact CD1-CE3 4.28Å; F302-W316 AromaticContact CD1-CH2 3.91Å; F302-W316 HydrophobicContact CD1-CH2 3.91Å; F302-W316 AromaticContact CD1-CZ2 3.82Å; F302-W316 HydrophobicContact CD1-CZ2 3.82Å; F302-W316 HydrophobicContact CD1-CZ3 4.15Å; F302-W316 HydrophobicContact CE1-CZ2 4.49Å; A303-W316 WeakPolarHBondContact O-CH2 3.42Å; K304-W316 HydrophobicContact CB-CZ3 4.24Å; F308-W316 HydrophobicContact CE1-CB 4.13Å; F308-W316 HydrophobicContact CZ-CB 3.73Å; F308-W316 HydrophobicContact CZ-CG 4.38Å; I312-W316 HydrophobicContact CD1-CE3 4.46Å; I312-W316 HydrophobicContact CD1-CZ3 4.45Å; I312-W316 HydrophobicContact CG1-CE3 3.88Å; I312-W316 HydrophobicContact CG1-CZ3 4.36Å; T314-W316 VanDerWaalsContact C-N 3.25Å; T314-W316 PolarHBondContact O-N 2.95Å; W316-Q319 PolarHBondContact O-N 2.81Å; W316-V320 VanDerWaalsContact CD1-CG2 3.44Å; W316-V320 WeakPolarHBondContact O-CG2 3.3Å; W316-V320 PolarHBondContact O-N 2.95Å
317	V	98.8	Very high	98.1	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.164	C	C	.	.	I	π-helix	trans	-67.3	-45.7	-166.9	172.9	0	0	0	0	111.5	F302 I312 Y313 Q319 V320 L321 L325 L399	F302-V317 HydrophobicContact CB-CG2 4.23Å; F302-V317 HydrophobicContact CD1-CG2 3.75Å; F302-V317 HydrophobicContact CD2-CG2 4.44Å; F302-V317 HydrophobicContact CE1-CG2 4.19Å; F302-V317 HydrophobicContact CE2-CG1 4.49Å; F302-V317 HydrophobicContact CG-CG2 3.9Å; I312-V317 HydrophobicContact CG1-CG2 4.08Å; I312-V317 WeakPolarHBondContact O-CB 3.48Å; I312-V317 VanDerWaalsContact O-CG2 3.24Å; I312-V317 WeakPolarHBondContact O-CG2 3.43Å; I312-V317 PolarHBondContact O-N 2.93Å; Y313-V317 PolarHBondContact O-N 3.41Å; V317-Q319 VanDerWaalsContact C-N 3.26Å; V317-Q319 PolarHBondContact O-N 3.17Å; V317-V320 PolarHBondContact O-N 3.14Å; V317-L321 HydrophobicContact CG1-CD1 3.52Å; V317-L321 HydrophobicContact CG1-CG 4.18Å; V317-L321 VanDerWaalsContact O-CB 3.32Å; V317-L321 WeakPolarHBondContact O-CB 3.16Å; V317-L321 VanDerWaalsContact O-CG 3.27Å; V317-L321 WeakPolarHBondContact O-CG 3.27Å; V317-L321 PolarHBondContact O-N 3.3Å; V317-L325 HydrophobicContact CB-CD1 4.44Å; V317-L325 HydrophobicContact CG1-CD1 3.99Å; V317-L399 HydrophobicContact CB-CD1 4.04Å; V317-L399 HydrophobicContact CG1-CD1 3.8Å; V317-L399 HydrophobicContact CG2-CD1 3.56Å; V317-L399 HydrophobicContact CG2-CG 4.49Å
318	A	98.6	Very high	98.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-57.4	-40.9	175	0	0	0	0	0	111.8	Y313 D322 T323 L325 R345	Y313-A318 WeakPolarHBondContact O-CB 3.16Å; Y313-A318 PolarHBondContact O-N 3.05Å; A318-D322 PolarHBondContact O-N 3.23Å; A318-T323 PolarHBondContact O-N 3.13Å; A318-T323 VanDerWaalsContact O-N 3.14Å; A318-L325 HydrophobicContact CB-CD1 3.77Å; A318-L325 HydrophobicContact CB-CG 3.98Å; A318-R345 HydrophobicContact CB-CB 3.94Å
319	Q	98.6	Very high	98.2	Very high	51 Å²	51	24.3 Å²	24.3	24%	0.238	14%	0.138	C	C	.	.	H	α-helix	trans	-71.9	-39.6	-178.1	-47	-48.5	-50.5	0	0	112.3	T314 W316 V317 D322 L343 R345	T314-Q319 PolarHBondContact O-NE2 2.88Å; W316-Q319 PolarHBondContact O-N 2.81Å; V317-Q319 VanDerWaalsContact C-N 3.26Å; V317-Q319 PolarHBondContact O-N 3.17Å; Q319-D322 PolarHBondContact O-N 2.63Å; Q319-L343 HydrophobicContact CG-CD1 4.47Å; Q319-R345 PolarHBondContact NE2-O 2.88Å; Q319-R345 VanDerWaalsContact OE1-N 3.13Å
320	V	98.4	Very high	98.2	Very high	82 Å²	82	24.6 Å²	24.6	50%	0.497	13%	0.131	S	C	.	.	H	α-helix	trans	-73.7	-36.5	179.6	170.4	0	0	0	0	111.8	F302 W316 V317 D322	F302-V320 HydrophobicContact CE1-CB 3.98Å; F302-V320 HydrophobicContact CE1-CG1 3.77Å; F302-V320 HydrophobicContact CE1-CG2 4.49Å; F302-V320 HydrophobicContact CZ-CB 4.33Å; F302-V320 HydrophobicContact CZ-CG1 3.89Å; W316-V320 VanDerWaalsContact CD1-CG2 3.44Å; W316-V320 WeakPolarHBondContact O-CG2 3.3Å; W316-V320 PolarHBondContact O-N 2.95Å; V317-V320 PolarHBondContact O-N 3.14Å; V320-D322 PolarHBondContact O-N 2.83Å
321	L	98.1	Very high	98.2	Very high	26 Å²	26	21.1 Å²	21.1	14%	0.136	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-7.8	175.6	-64.5	175.9	0	0	0	112.8	F302 V317 T323 V380 Y403	F302-L321 HydrophobicContact CE2-CD2 4.19Å; F302-L321 HydrophobicContact CE2-CG 4.48Å; F302-L321 HydrophobicContact CZ-CD2 4.02Å; F302-L321 HydrophobicContact CZ-CG 4.15Å; V317-L321 HydrophobicContact CG1-CD1 3.52Å; V317-L321 HydrophobicContact CG1-CG 4.18Å; V317-L321 VanDerWaalsContact O-CB 3.32Å; V317-L321 WeakPolarHBondContact O-CB 3.16Å; V317-L321 VanDerWaalsContact O-CG 3.27Å; V317-L321 WeakPolarHBondContact O-CG 3.27Å; V317-L321 PolarHBondContact O-N 3.3Å; L321-T323 HydrophobicContact CB-CG2 3.69Å; L321-T323 HydrophobicContact CD1-CG2 4.5Å; L321-T323 PolarHBondContact O-N 3.27Å; L321-V380 HydrophobicContact CD1-CG1 3.82Å; L321-V380 HydrophobicContact CD2-CG1 4.45Å; L321-Y403 VanDerWaalsContact CD2-OH 3.23Å; L321-Y403 WeakPolarHBondContact CD2-OH 3.11Å
322	D	98	Very high	97.6	Very high	94 Å²	94	22.1 Å²	22.1	50%	0.503	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	39	-176	-162.9	37	0	0	0	113.9	A318 Q319 V320 R345	A318-D322 PolarHBondContact O-N 3.23Å; Q319-D322 PolarHBondContact O-N 2.63Å; V320-D322 PolarHBondContact O-N 2.83Å; D322-R345 VanDerWaalsContact CG-NH2 3.27Å; D322-R345 PolarHBondContact O-NE 2.96Å; D322-R345 IonicContact OD1-CZ 2.83Å; D322-R345 IonicContact OD1-NE 3.5Å; D322-R345 PolarHBondContact OD1-NE 2.96Å; D322-R345 IonicContact OD1-NH2 2.73Å; D322-R345 PolarHBondContact OD1-NH2 3.15Å; D322-R345 IonicContact OD2-NH2 3.64Å; D322-R345 PolarHBondContact OD2-NH2 2.6Å
323	T	98.1	Very high	96.5	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.006	16%	0.159	C	C	.	.	S	Bend	trans	-142.1	147.2	-175.8	-176	0	0	0	0	112.5	A318 L321 L325 S373 D378	A318-T323 PolarHBondContact O-N 3.13Å; A318-T323 VanDerWaalsContact O-N 3.14Å; L321-T323 HydrophobicContact CB-CG2 3.69Å; L321-T323 HydrophobicContact CD1-CG2 4.5Å; L321-T323 PolarHBondContact O-N 3.27Å; T323-L325 HydrophobicContact CG2-CD2 3.82Å; T323-S373 WeakPolarHBondContact OG1-CB 3.25Å; T323-D378 WeakPolarHBondContact CB-OD2 2.96Å; T323-D378 PolarHBondContact OG1-OD2 2.94Å
324	D	98.6	Very high	95.7	Very high	36 Å²	36	34.5 Å²	34.5	19%	0.193	20%	0.197	C	C	.	.			trans	-71.9	130.2	171.9	-75.2	-5.1	0	0	0	110.3	R345 H346 M348 S373 Q374	D324-R345 WeakPolarHBondContact OD1-CA 3.29Å; D324-H346 WeakPolarHBondContact CA-O 3.31Å; D324-H346 IonicContact OD1-CG 2.92Å; D324-H346 PolarHBondContact OD1-N 3.27Å; D324-H346 IonicContact OD2-ND1 2.93Å; D324-M348 HydrophobicContact CB-CE 4.07Å; D324-S373 CarbonylContact O-C 3.48Å; D324-S373 WeakPolarHBondContact O-CA 3.49Å; D324-Q374 HydrophobicContact CB-CB 4.01Å; D324-Q374 PolarHBondContact O-N 3.17Å
325	L	98.8	Very high	95.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	125.4	-173.3	-65.4	-179.2	0	0	0	113	V317 A318 T323 V327 H346 T347 M348 C371	V317-L325 HydrophobicContact CB-CD1 4.44Å; V317-L325 HydrophobicContact CG1-CD1 3.99Å; A318-L325 HydrophobicContact CB-CD1 3.77Å; A318-L325 HydrophobicContact CB-CG 3.98Å; T323-L325 HydrophobicContact CG2-CD2 3.82Å; L325-V327 HydrophobicContact CB-CG2 3.89Å; L325-H346 PolarHBondContact N-O 2.82Å; L325-T347 HydrophobicContact CB-CG2 4.48Å; L325-T347 CarbonylContact O-C 3.59Å; L325-T347 WeakPolarHBondContact O-CA 3.47Å; L325-M348 WeakPolarHBondContact O-CE 3.45Å; L325-M348 PolarHBondContact O-N 2.96Å; L325-C371 HydrophobicContact CB-CB 4.38Å; L325-C371 HydrophobicContact CD1-CB 4.45Å
326	L	98.9	Very high	95	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	115.2	164	-52.9	179.4	0	0	0	108.1	M348 V350 C371 V372 Q374 V415 Y418	L326-M348 CarbonylContact C-O 3.53Å; L326-M348 HydrophobicContact CD2-CB 4.01Å; L326-M348 HydrophobicContact CD2-SD 4.3Å; L326-V350 HydrophobicContact CB-CG2 3.93Å; L326-C371 CarbonylContact O-C 3.6Å; L326-C371 WeakPolarHBondContact O-CA 3.4Å; L326-V372 HydrophobicContact CB-CG1 3.93Å; L326-V372 HydrophobicContact CD1-CG1 4.4Å; L326-V372 PolarHBondContact N-O 2.78Å; L326-V372 PolarHBondContact O-N 2.85Å; L326-Q374 HydrophobicContact CD1-CB 4.4Å; L326-Q374 HydrophobicContact CD1-CG 4.47Å; L326-Q374 HydrophobicContact CD2-CB 4.17Å; L326-Q374 HydrophobicContact CD2-CG 4.2Å; L326-Q374 HydrophobicContact CG-CB 4.03Å; L326-Q374 HydrophobicContact CG-CG 4.41Å; L326-V415 HydrophobicContact CB-CG2 4.39Å; L326-V415 HydrophobicContact CD1-CG1 4.16Å; L326-V415 HydrophobicContact CD1-CG2 4.1Å; L326-Y418 HydrophobicContact CD1-CD1 4.43Å; L326-Y418 HydrophobicContact CD1-CE1 4.31Å; L326-Y418 HydrophobicContact CD2-CD1 4.2Å; L326-Y418 HydrophobicContact CD2-CD2 3.76Å; L326-Y418 HydrophobicContact CD2-CE1 4.18Å; L326-Y418 HydrophobicContact CD2-CE2 3.72Å; L326-Y418 HydrophobicContact CD2-CG 3.99Å
327	V	98.8	Very high	94.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	118.9	-169	-173.7	0	0	0	0	112	Y313 L325 T329 T347 M348 V350 C371 R388	Y313-V327 HydrophobicContact CD1-CG1 3.76Å; Y313-V327 HydrophobicContact CD1-CG2 4.01Å; Y313-V327 HydrophobicContact CD2-CG1 4.18Å; Y313-V327 HydrophobicContact CE1-CG1 3.77Å; Y313-V327 HydrophobicContact CE2-CG1 4.21Å; Y313-V327 HydrophobicContact CG-CG1 3.97Å; Y313-V327 HydrophobicContact CG-CG2 4.2Å; L325-V327 HydrophobicContact CB-CG2 3.89Å; V327-T329 HydrophobicContact CG1-CG2 3.92Å; V327-T347 HydrophobicContact CB-CG2 4.2Å; V327-T347 HydrophobicContact CG2-CG2 3.26Å; V327-M348 PolarHBondContact N-O 3.24Å; V327-V350 PolarHBondContact O-N 3.38Å; V327-C371 HydrophobicContact CB-CB 4.27Å; V327-C371 HydrophobicContact CG1-CB 4.32Å; V327-C371 HydrophobicContact CG2-CB 3.69Å; V327-R388 HydrophobicContact CG1-CG 4.2Å
328	Q	98.6	Very high	94.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	123.5	167.7	174.4	61	-4.2	0	0	109.9	V350 S363 D366 K369 W370	Q328-V350 HydrophobicContact CB-CB 4.08Å; Q328-V350 HydrophobicContact CB-CG1 4.39Å; Q328-V350 PolarHBondContact OE1-O 3.46Å; Q328-V350 VanDerWaalsContact OE1-O 3.13Å; Q328-S363 PolarHBondContact NE2-OG 2.9Å; Q328-S363 PolarHBondContact OE1-OG 2.87Å; Q328-D366 PolarHBondContact NE2-OD2 3.48Å; Q328-K369 VanDerWaalsContact O-CA 3.28Å; Q328-K369 WeakPolarHBondContact O-CA 3.37Å; Q328-W370 HydrophobicContact CB-CD2 3.68Å; Q328-W370 HydrophobicContact CB-CE3 4.24Å; Q328-W370 HydrophobicContact CB-CG 4.1Å; Q328-W370 HydrophobicContact CB-CH2 4.16Å; Q328-W370 HydrophobicContact CB-CZ2 3.58Å; Q328-W370 HydrophobicContact CB-CZ3 4.45Å; Q328-W370 HydrophobicContact CG-CD2 4.38Å; Q328-W370 HydrophobicContact CG-CZ2 3.96Å; Q328-W370 VanDerWaalsContact CG-NE1 3.35Å; Q328-W370 PolarHBondContact N-O 2.84Å; Q328-W370 PolarHBondContact O-N 2.89Å; Q328-W370 VanDerWaalsContact O-O 3.09Å
329	T	97.9	Very high	94.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.27	C	S	.	.			trans	-144.4	170.8	166.7	62.5	0	0	0	0	110.3	Y313 V327 Q331 K369 L386 R388	Y313-T329 HydrophobicContact CE2-CG2 4.09Å; V327-T329 HydrophobicContact CG1-CG2 3.92Å; T329-Q331 WeakPolarHBondContact O-CG 3.39Å; T329-Q331 PolarHBondContact O-N 3.47Å; T329-Q331 PolarHBondContact O-NE2 3.41Å; T329-K369 HydrophobicContact CG2-CB 4.37Å; T329-K369 HydrophobicContact CG2-CG 4.18Å; T329-L386 WeakPolarHBondContact CG2-O 3.17Å; T329-R388 HydrophobicContact CG2-CG 4.18Å; T329-R388 PolarHBondContact OG1-N 2.76Å
330	W	97.1	Very high	94.6	Very high	83 Å²	83	50.5 Å²	50.5	31%	0.314	27%	0.271	S	S	.	.			trans	-66.3	115.7	174.8	-171.4	33.1	0	0	0	111.2	T332 H364 D366 H367 N387	W330-T332 HydrophobicContact CD2-CG2 4.15Å; W330-T332 HydrophobicContact CH2-CG2 4.28Å; W330-T332 HydrophobicContact CZ2-CG2 3.64Å; W330-H364 VanDerWaalsContact CD1-O 3.32Å; W330-H364 PolarHBondContact NE1-O 3.05Å; W330-D366 WeakPolarHBondContact CA-O 3.42Å; W330-D366 VanDerWaalsContact CB-O 3.25Å; W330-D366 WeakPolarHBondContact CB-O 3.28Å; W330-H367 AromaticContact CD1-CD2 3.72Å; W330-H367 AromaticContact CD2-CD2 3.36Å; W330-H367 AromaticContact CD2-NE2 3.26Å; W330-H367 VanDerWaalsContact CD2-NE2 3.26Å; W330-H367 AromaticContact CE2-CD2 3.62Å; W330-H367 AromaticContact CE2-NE2 3.27Å; W330-H367 VanDerWaalsContact CE2-NE2 3.27Å; W330-H367 AromaticContact CE3-CD2 3.8Å; W330-H367 AromaticContact CE3-NE2 3.39Å; W330-H367 AromaticContact CG-CD2 3.47Å; W330-H367 VanDerWaalsContact CG-CD2 3.47Å; W330-H367 AromaticContact CG-NE2 3.92Å; W330-H367 AromaticContact CH2-NE2 3.57Å; W330-H367 AromaticContact CZ2-NE2 3.45Å; W330-H367 WeakPolarHBondContact CZ2-NE2 3.26Å; W330-H367 AromaticContact CZ3-NE2 3.54Å; W330-H367 AromaticContact NE1-CD2 3.81Å; W330-H367 AromaticContact NE1-NE2 3.88Å; W330-N387 WeakPolarHBondContact CB-OD1 3.4Å; W330-N387 PolarHBondContact N-OD1 2.63Å
331	Q	95.2	Very high	94.5	Very high	6 Å²	6	48.7 Å²	48.7	3%	0.028	26%	0.261	C	S	.	.			trans	-116.6	103.5	-174.9	-72.8	167.4	78.4	0	0	110.2	T329 E336 V350 K351 S363 H364	T329-Q331 WeakPolarHBondContact O-CG 3.39Å; T329-Q331 PolarHBondContact O-N 3.47Å; T329-Q331 PolarHBondContact O-NE2 3.41Å; Q331-E336 HydrophobicContact CB-CB 4.34Å; Q331-E336 HydrophobicContact CG-CB 3.94Å; Q331-E336 HydrophobicContact CG-CG 4.42Å; Q331-V350 PolarHBondContact NE2-O 3.44Å; Q331-K351 VanDerWaalsContact OE1-CD 3.29Å; Q331-S363 PolarHBondContact N-O 2.82Å; Q331-S363 VanDerWaalsContact NE2-CB 3.33Å; Q331-H364 WeakPolarHBondContact O-CA 3.45Å; Q331-H364 PolarHBondContact O-ND1 3.39Å
332	T	84.9	Confident	94.4	Very high	36 Å²	36	52.6 Å²	52.6	22%	0.221	29%	0.291	C	S	.	.			trans	-96.6	121.3	172.5	58.2	0	0	0	0	108.6	W330 G334 R335	W330-T332 HydrophobicContact CD2-CG2 4.15Å; W330-T332 HydrophobicContact CH2-CG2 4.28Å; W330-T332 HydrophobicContact CZ2-CG2 3.64Å; T332-G334 PolarHBondContact O-N 2.87Å; T332-R335 PolarHBondContact O-N 3.04Å; T332-R335 VanDerWaalsContact O-N 3.17Å
333	Q	76.5	Confident	94.4	Very high	184 Å²	184	51.4 Å²	51.4	86%	0.86	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-38.9	122.6	-173.3	-71.1	178.8	-7.1	0	0	113.2
334	G	80.4	Confident	94.4	Very high	77 Å²	77	56.4 Å²	56.4	79%	0.794	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.7	5.4	171.5	0	0	0	0	0	115.2	T332 E336	T332-G334 PolarHBondContact O-N 2.87Å; G334-E336 PolarHBondContact N-OE2 2.93Å
335	R	89.3	Confident	94.4	Very high	189 Å²	189	58.5 Å²	58.5	71%	0.713	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.7	-18.1	178.3	-62.5	-173.8	179.9	-177.7	0.9	113.7	T332 V389	T332-R335 PolarHBondContact O-N 3.04Å; T332-R335 VanDerWaalsContact O-N 3.17Å; R335-V389 WeakPolarHBondContact O-CG1 3.26Å
336	E	93.3	Very high	94.4	Very high	50 Å²	50	61 Å²	61	23%	0.234	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-65.3	145.4	175.9	71.1	-87.3	-143.3	0	0	111.6	Q331 G334 K351 R388	Q331-E336 HydrophobicContact CB-CB 4.34Å; Q331-E336 HydrophobicContact CG-CB 3.94Å; Q331-E336 HydrophobicContact CG-CG 4.42Å; G334-E336 PolarHBondContact N-OE2 2.93Å; E336-K351 IonicContact OE1-NZ 3.37Å; E336-K351 PolarHBondContact OE1-NZ 2.69Å; E336-R388 CarbonylContact C-O 3.45Å; E336-R388 WeakPolarHBondContact CA-O 3.47Å
337	L	95.6	Very high	94.4	Very high	27 Å²	27	61 Å²	61	14%	0.141	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-68.4	141	163.9	-61.4	173.6	0	0	0	108.3	D311 N349 R388 K390 M393	D311-L337 HydrophobicContact CB-CD1 3.87Å; L337-N349 PolarHBondContact O-ND2 2.83Å; L337-R388 HydrophobicContact CB-CB 4.41Å; L337-R388 PolarHBondContact N-O 3.31Å; L337-K390 HydrophobicContact CD2-CG 3.77Å; L337-M393 HydrophobicContact CD1-CG 4.47Å; L337-M393 HydrophobicContact CD1-SD 3.79Å; L337-M393 HydrophobicContact CD2-SD 4.33Å
338	P	95.6	Very high	94.3	Very high	96 Å²	96	61.1 Å²	61.1	62%	0.623	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-66	166.6	174.7	30.2	-35.5	0	0	0	111.1	N340 R388	P338-N340 PolarHBondContact O-N 2.77Å; P338-R388 PolarHBondContact O-NH2 2.86Å
339	S	97.5	Very high	94.3	Very high	23 Å²	23	61.3 Å²	61.3	16%	0.161	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-53.4	139.3	161.4	-64	0	0	0	0	108.9	T347 M348 N349 I419	S339-T347 CarbonylContact C-O 3.54Å; S339-T347 VanDerWaalsContact CA-O 3.3Å; S339-T347 WeakPolarHBondContact CA-O 3.49Å; S339-M348 WeakPolarHBondContact OG-CA 3.43Å; S339-N349 PolarHBondContact N-ND2 3.32Å; S339-N349 PolarHBondContact OG-N 3.34Å; S339-I419 PolarHBondContact OG-O 3.46Å
340	N	97.3	Very high	94.4	Very high	51 Å²	51	61.3 Å²	61.3	27%	0.273	34%	0.335	S	S	.	.	B	Isolated β-bridge	trans	-123.1	123.2	-175	-172.1	-45.9	0	0	0	109.8	T314 P338 S342 H346 T347	T314-N340 HydrophobicContact CG2-CB 3.64Å; P338-N340 PolarHBondContact O-N 2.77Å; N340-S342 PolarHBondContact OD1-N 2.97Å; N340-H346 WeakPolarHBondContact O-CA 3.26Å; N340-T347 PolarHBondContact N-O 3.49Å; N340-T347 PolarHBondContact O-N 3.25Å
341	C	95.6	Very high	94.4	Very high	43 Å²	43	58.7 Å²	58.7	29%	0.291	33%	0.326	S	S	.	.			trans	-128.8	23.4	-176.3	-43	0	0	0	0	111.2	H346 C421	C341-H346 WeakPolarHBondContact CA-CD2 3.49Å; C341-C421 HydrophobicContact CB-CB 3.76Å; C341-C421 WeakPolarHBondContact CB-SG 2.95Å; C341-C421 VanDerWaalsContact SG-CA 3.55Å; C341-C421 WeakPolarHBondContact SG-CB 2.99Å; C341-C421 CovalentContact SG-SG 2Å; C341-C421 PolarHBondContact SG-SG 3.44Å
342	S	97.1	Very high	94.5	Very high	108 Å²	108	61.7 Å²	61.7	76%	0.755	34%	0.337	S	S	*	.	S	Bend	trans	-96	-11.1	-176.5	-53.2	0	0	0	0	112.8	N340	N340-S342 PolarHBondContact OD1-N 2.97Å
343	L	97.4	Very high	95.2	Very high	70 Å²	70	60 Å²	60	37%	0.366	33%	0.327	S	S	.	.	S	Bend	trans	-105.5	161.8	174.5	-63.7	-172.7	0	0	0	110.3	T314 Q319 R345 H346	T314-L343 HydrophobicContact CG2-CD1 4.04Å; Q319-L343 HydrophobicContact CG-CD1 4.47Å; L343-R345 PolarHBondContact O-N 3.19Å; L343-R345 VanDerWaalsContact O-N 3.16Å; L343-H346 PolarHBondContact O-CD2 2.73Å; L343-H346 VanDerWaalsContact O-CD2 3.23Å
344	P	97.9	Very high	96.2	Very high	105 Å²	105	52.4 Å²	52.4	68%	0.682	29%	0.293	S	S	*	.	S	Bend	trans	-52.8	-38.1	-178.2	-29.4	36.4	0	0	0	114.6
345	R	98.4	Very high	97.1	Very high	80 Å²	80	48.9 Å²	48.9	30%	0.302	26%	0.255	S	S	.	.	S	Bend	trans	-107.4	133	169.8	-57.7	-60	170.7	-179.1	4.5	111.7	A318 Q319 D322 D324 L343	A318-R345 HydrophobicContact CB-CB 3.94Å; Q319-R345 PolarHBondContact NE2-O 2.88Å; Q319-R345 VanDerWaalsContact OE1-N 3.13Å; D322-R345 VanDerWaalsContact CG-NH2 3.27Å; D322-R345 PolarHBondContact O-NE 2.96Å; D322-R345 IonicContact OD1-CZ 2.83Å; D322-R345 IonicContact OD1-NE 3.5Å; D322-R345 PolarHBondContact OD1-NE 2.96Å; D322-R345 IonicContact OD1-NH2 2.73Å; D322-R345 PolarHBondContact OD1-NH2 3.15Å; D322-R345 IonicContact OD2-NH2 3.64Å; D322-R345 PolarHBondContact OD2-NH2 2.6Å; D324-R345 WeakPolarHBondContact OD1-CA 3.29Å; L343-R345 PolarHBondContact O-N 3.19Å; L343-R345 VanDerWaalsContact O-N 3.16Å
346	H	98.4	Very high	97.3	Very high	53 Å²	53	42.8 Å²	42.8	25%	0.245	24%	0.24	C	C	.	.			trans	-90.7	158	-171	-56.9	153.2	0	0	0	111.8	D324 L325 N340 C341 L343 M348	D324-H346 WeakPolarHBondContact CA-O 3.31Å; D324-H346 IonicContact OD1-CG 2.92Å; D324-H346 PolarHBondContact OD1-N 3.27Å; D324-H346 IonicContact OD2-ND1 2.93Å; L325-H346 PolarHBondContact N-O 2.82Å; N340-H346 WeakPolarHBondContact O-CA 3.26Å; C341-H346 WeakPolarHBondContact CA-CD2 3.49Å; L343-H346 PolarHBondContact O-CD2 2.73Å; L343-H346 VanDerWaalsContact O-CD2 3.23Å; H346-M348 HydrophobicContact CB-CE 3.46Å; H346-M348 VanDerWaalsContact CB-CE 3.46Å; H346-M348 HydrophobicContact CB-SD 4.2Å; H346-M348 WeakPolarHBondContact O-CE 3.23Å
347	T	98.5	Very high	97.2	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	110.8	173.7	-57.6	0	0	0	0	111.1	T314 L325 V327 S339 N340 R388	T314-T347 WeakPolarHBondContact CA-OG1 3.34Å; T314-T347 WeakPolarHBondContact OG1-CB 3.47Å; L325-T347 HydrophobicContact CB-CG2 4.48Å; L325-T347 CarbonylContact O-C 3.59Å; L325-T347 WeakPolarHBondContact O-CA 3.47Å; V327-T347 HydrophobicContact CB-CG2 4.2Å; V327-T347 HydrophobicContact CG2-CG2 3.26Å; S339-T347 CarbonylContact C-O 3.54Å; S339-T347 VanDerWaalsContact CA-O 3.3Å; S339-T347 WeakPolarHBondContact CA-O 3.49Å; N340-T347 PolarHBondContact N-O 3.49Å; N340-T347 PolarHBondContact O-N 3.25Å; T347-R388 PolarHBondContact O-NH1 3.34Å; T347-R388 VanDerWaalsContact O-NH1 3.09Å; T347-R388 PolarHBondContact O-NH2 2.93Å
348	M	98.6	Very high	97.1	Very high	3 Å²	3	47.5 Å²	47.5	2%	0.015	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	133.3	-171.8	-68.9	121.2	-68.4	0	0	111.3	D324 L325 L326 V327 S339 H346 V350 Q374 Y418 I419	D324-M348 HydrophobicContact CB-CE 4.07Å; L325-M348 WeakPolarHBondContact O-CE 3.45Å; L325-M348 PolarHBondContact O-N 2.96Å; L326-M348 CarbonylContact C-O 3.53Å; L326-M348 HydrophobicContact CD2-CB 4.01Å; L326-M348 HydrophobicContact CD2-SD 4.3Å; V327-M348 PolarHBondContact N-O 3.24Å; S339-M348 WeakPolarHBondContact OG-CA 3.43Å; H346-M348 HydrophobicContact CB-CE 3.46Å; H346-M348 VanDerWaalsContact CB-CE 3.46Å; H346-M348 HydrophobicContact CB-SD 4.2Å; H346-M348 WeakPolarHBondContact O-CE 3.23Å; M348-V350 PolarHBondContact O-N 3.16Å; M348-Q374 PolarHBondContact SD-OE1 2.9Å; M348-Q374 VanDerWaalsContact SD-OE1 3.36Å; M348-Y418 HydrophobicContact CB-CD2 3.9Å; M348-Y418 HydrophobicContact CB-CE2 4.38Å; M348-Y418 HydrophobicContact CG-CD2 4.47Å; M348-I419 WeakPolarHBondContact CB-O 2.96Å
349	N	98.3	Very high	97.2	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.016	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	116.8	-178.6	-75.5	-33.2	0	0	0	111.4	L337 S339 K351 R388 Y418 I419	L337-N349 PolarHBondContact O-ND2 2.83Å; S339-N349 PolarHBondContact N-ND2 3.32Å; S339-N349 PolarHBondContact OG-N 3.34Å; N349-K351 PolarHBondContact O-N 3.37Å; N349-R388 WeakPolarHBondContact OD1-CD 3.27Å; N349-R388 PolarHBondContact OD1-NH1 3.17Å; N349-Y418 CarbonylContact O-C 3.54Å; N349-Y418 WeakPolarHBondContact O-CA 3.47Å; N349-Y418 VanDerWaalsContact O-CB 3.26Å; N349-Y418 WeakPolarHBondContact O-CB 3.4Å; N349-I419 PolarHBondContact O-N 2.9Å
350	V	98.6	Very high	97.2	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	127.6	160.8	179.6	0	0	0	0	107.3	L326 V327 Q328 Q331 M348 R352 S363 W370 V415	L326-V350 HydrophobicContact CB-CG2 3.93Å; V327-V350 PolarHBondContact O-N 3.38Å; Q328-V350 HydrophobicContact CB-CB 4.08Å; Q328-V350 HydrophobicContact CB-CG1 4.39Å; Q328-V350 PolarHBondContact OE1-O 3.46Å; Q328-V350 VanDerWaalsContact OE1-O 3.13Å; Q331-V350 PolarHBondContact NE2-O 3.44Å; M348-V350 PolarHBondContact O-N 3.16Å; V350-R352 WeakPolarHBondContact CG1-O 3.3Å; V350-S363 PolarHBondContact O-OG 3.14Å; V350-W370 HydrophobicContact CG2-CH2 4.44Å; V350-V415 HydrophobicContact CG1-CG1 4.47Å; V350-V415 HydrophobicContact CG2-CG1 4.15Å; V350-V415 HydrophobicContact CG2-CG2 4.09Å
351	K	97.8	Very high	97.3	Very high	28 Å²	28	44.5 Å²	44.5	12%	0.122	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	-24.4	-179.9	-74.5	-64.1	-170.7	-175	0	112.1	Q331 E336 N349 E362 S363 W417 I419	Q331-K351 VanDerWaalsContact OE1-CD 3.29Å; E336-K351 IonicContact OE1-NZ 3.37Å; E336-K351 PolarHBondContact OE1-NZ 2.69Å; N349-K351 PolarHBondContact O-N 3.37Å; K351-E362 WeakPolarHBondContact O-CA 3.4Å; K351-S363 VanDerWaalsContact CA-OG 3.22Å; K351-S363 WeakPolarHBondContact CA-OG 3.48Å; K351-S363 PolarHBondContact O-N 3.36Å; K351-S363 PolarHBondContact O-OG 3.48Å; K351-W417 HydrophobicContact CB-CD2 4.2Å; K351-W417 HydrophobicContact CB-CE3 3.19Å; K351-W417 HydrophobicContact CB-CH2 4.09Å; K351-W417 HydrophobicContact CB-CZ3 3.12Å; K351-W417 HydrophobicContact CD-CZ3 4.49Å; K351-W417 HydrophobicContact CG-CE3 3.97Å; K351-W417 HydrophobicContact CG-CH2 3.94Å; K351-W417 HydrophobicContact CG-CZ3 3.44Å; K351-W417 VanDerWaalsContact CG-CZ3 3.44Å; K351-W417 PolarHBondContact N-O 2Å; K351-I419 HydrophobicContact CD-CD1 4.21Å; K351-I419 HydrophobicContact CG-CD1 3.91Å; K351-I419 HydrophobicContact CG-CG1 3.78Å
352	R	98.3	Very high	97.4	Very high	70 Å²	70	45.5 Å²	45.5	26%	0.264	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	133.8	177	-165.1	166.7	60	-140.5	3.6	111	I117 V350 E362 D416 W417	I117-R352 HydrophobicContact CD1-CG 4.02Å; V350-R352 WeakPolarHBondContact CG1-O 3.3Å; R352-E362 WeakPolarHBondContact CD-OE1 3.04Å; R352-D416 HydrophobicContact CB-CB 4.32Å; R352-D416 HydrophobicContact CG-CB 4.25Å; R352-D416 IonicContact CZ-OD2 3.09Å; R352-D416 IonicContact NE-OD2 2.76Å; R352-D416 PolarHBondContact NE-OD2 3.27Å; R352-D416 IonicContact NH2-OD2 2.65Å; R352-D416 PolarHBondContact NH2-OD2 3.17Å; R352-D416 WeakPolarHBondContact O-CB 3.3Å; R352-D416 PolarHBondContact O-N 3.18Å; R352-W417 HydrophobicContact CB-CB 4.01Å; R352-W417 PolarHBondContact N-O 2.96Å; R352-W417 PolarHBondContact O-N 3.23Å; R352-W417 VanDerWaalsContact O-N 3.17Å
353	T	98.7	Very high	97.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	144.5	176.9	-62.3	0	0	0	0	109.8	Y110 L355 R360 F361 W370 A414	Y110-T353 HydrophobicContact CE2-CG2 4.36Å; T353-L355 HydrophobicContact CG2-CG 4.35Å; T353-R360 VanDerWaalsContact O-CA 3.29Å; T353-R360 WeakPolarHBondContact O-CA 3.31Å; T353-F361 HydrophobicContact CG2-CE1 4.23Å; T353-F361 HydrophobicContact CG2-CE2 3.83Å; T353-F361 HydrophobicContact CG2-CZ 3.5Å; T353-F361 VanDerWaalsContact CG2-CZ 3.5Å; T353-F361 PolarHBondContact N-O 3.04Å; T353-F361 PolarHBondContact O-N 2.79Å; T353-W370 HydrophobicContact CG2-CZ2 4.3Å; T353-A414 CarbonylContact C-O 3.56Å; T353-A414 VanDerWaalsContact CA-O 3.23Å; T353-A414 WeakPolarHBondContact CA-O 3.38Å; T353-A414 HydrophobicContact CG2-CB 4.12Å; T353-A414 WeakPolarHBondContact CG2-O 2.96Å
354	V	98.4	Very high	97.4	Very high	25 Å²	25	40.9 Å²	40.9	15%	0.152	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	133.6	172.2	62	0	0	0	0	110.6	V359 R360 K413 A414 D416	V354-V359 CarbonylContact C-O 3.57Å; V354-V359 WeakPolarHBondContact CA-O 3.04Å; V354-R360 HydrophobicContact CB-CG 3.94Å; V354-R360 HydrophobicContact CG2-CG 3.73Å; V354-K413 WeakPolarHBondContact CG1-O 3.39Å; V354-A414 PolarHBondContact N-O 3.16Å; V354-A414 WeakPolarHBondContact O-CA 3.47Å; V354-D416 HydrophobicContact CB-CB 3.8Å; V354-D416 HydrophobicContact CG1-CB 3.71Å
355	L	97.8	Very high	97.3	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	151.3	174	-68.7	171.8	0	0	0	110.7	Y110 L112 M127 W136 T353 S358 V359 F361 A414	Y110-L355 HydrophobicContact CD1-CD1 3.76Å; Y110-L355 HydrophobicContact CD2-CD1 3.85Å; Y110-L355 HydrophobicContact CD2-CD2 4.31Å; Y110-L355 HydrophobicContact CE1-CD1 4.14Å; Y110-L355 HydrophobicContact CE2-CD1 4.19Å; Y110-L355 HydrophobicContact CG-CD1 3.62Å; L112-L355 HydrophobicContact CD2-CB 4.46Å; L112-L355 HydrophobicContact CD2-CD1 3.59Å; M127-L355 HydrophobicContact CG-CB 4.12Å; M127-L355 HydrophobicContact CG-CD1 3.92Å; M127-L355 HydrophobicContact CG-CG 4.49Å; W136-L355 HydrophobicContact CG-CD2 4.47Å; T353-L355 HydrophobicContact CG2-CG 4.35Å; L355-S358 CarbonylContact O-C 3.51Å; L355-S358 WeakPolarHBondContact O-CA 3.18Å; L355-S358 PolarHBondContact O-N 3.32Å; L355-S358 VanDerWaalsContact O-N 3.16Å; L355-V359 PolarHBondContact N-O 2.53Å; L355-V359 PolarHBondContact O-N 2.68Å; L355-F361 HydrophobicContact CD1-CE1 4.05Å; L355-F361 HydrophobicContact CD1-CZ 4.02Å; L355-F361 HydrophobicContact CG-CE1 4.42Å; L355-A414 HydrophobicContact CD2-CB 3.95Å
356	P	94.5	Very high	97.3	Very high	61 Å²	61	35.8 Å²	35.8	40%	0.396	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	145.7	179.3	-27.1	35.6	0	0	0	113.5	M127 W136	M127-P356 HydrophobicContact CE-CB 4.11Å; M127-P356 HydrophobicContact CE-CG 4.5Å; M127-P356 VanDerWaalsContact CE-O 3.31Å; M127-P356 WeakPolarHBondContact CE-O 3.41Å; W136-P356 HydrophobicContact CB-CG 4.15Å
357	P	91.4	Very high	97.3	Very high	102 Å²	102	34.4 Å²	34.4	66%	0.662	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	cis	-77.9	-22.1	-0.7	30.4	-34.9	0	0	0	114.6
358	S	93.6	Very high	97.3	Very high	74 Å²	74	34.4 Å²	34.4	52%	0.517	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-176.1	35.6	173.6	-81.4	0	0	0	0	111.4	L355 R360	L355-S358 CarbonylContact O-C 3.51Å; L355-S358 WeakPolarHBondContact O-CA 3.18Å; L355-S358 PolarHBondContact O-N 3.32Å; L355-S358 VanDerWaalsContact O-N 3.16Å; S358-R360 PolarHBondContact O-N 3.27Å
359	V	96.9	Very high	97.3	Very high	9 Å²	9	34.5 Å²	34.5	6%	0.055	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	109.4	-179.4	-177.3	0	0	0	0	109.2	L112 R116 V354 L355 F361	L112-V359 HydrophobicContact CD1-CG1 4.33Å; L112-V359 HydrophobicContact CD1-CG2 4.45Å; L112-V359 HydrophobicContact CD2-CG1 4.2Å; R116-V359 HydrophobicContact CG-CG1 4.09Å; V354-V359 CarbonylContact C-O 3.57Å; V354-V359 WeakPolarHBondContact CA-O 3.04Å; L355-V359 PolarHBondContact N-O 2.53Å; L355-V359 PolarHBondContact O-N 2.68Å; V359-F361 HydrophobicContact CG1-CD1 4.2Å; V359-F361 HydrophobicContact CG1-CE1 4.49Å
360	R	98.1	Very high	97.3	Very high	99 Å²	99	34.3 Å²	34.3	37%	0.374	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	142.2	179.2	-64.3	-173.2	179.4	89.5	-1.1	112	R116 I117 T353 V354 S358 D416	R116-R360 WeakPolarHBondContact CA-O 3.38Å; R116-R360 WeakPolarHBondContact CB-O 2.9Å; I117-R360 HydrophobicContact CB-CB 4.21Å; I117-R360 HydrophobicContact CD1-CB 4.05Å; I117-R360 PolarHBondContact N-O 3.28Å; T353-R360 VanDerWaalsContact O-CA 3.29Å; T353-R360 WeakPolarHBondContact O-CA 3.31Å; V354-R360 HydrophobicContact CB-CG 3.94Å; V354-R360 HydrophobicContact CG2-CG 3.73Å; S358-R360 PolarHBondContact O-N 3.27Å; R360-D416 IonicContact CZ-OD1 3.62Å; R360-D416 IonicContact NE-OD1 3.66Å; R360-D416 PolarHBondContact NE-OD1 3.18Å; R360-D416 IonicContact NE-OD2 3.67Å; R360-D416 IonicContact NH2-OD1 2.75Å
361	F	98.3	Very high	97.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	149	175.3	49.6	-89.5	0	0	0	111.8	Y110 L112 P113 R116 T353 L355 V359 D366	Y110-F361 HydrophobicContact CD1-CZ 4.46Å; Y110-F361 HydrophobicContact CE1-CE2 4.01Å; Y110-F361 AromaticContact CE1-CZ 3.61Å; Y110-F361 HydrophobicContact CE1-CZ 3.61Å; Y110-F361 AromaticContact CZ-CZ 3.82Å; L112-F361 HydrophobicContact CD2-CE1 4.14Å; P113-F361 HydrophobicContact CG-CB 3.59Å; P113-F361 HydrophobicContact CG-CD1 3.8Å; P113-F361 HydrophobicContact CG-CD2 3.78Å; P113-F361 HydrophobicContact CG-CE1 4.45Å; P113-F361 HydrophobicContact CG-CE2 4.42Å; P113-F361 HydrophobicContact CG-CG 3.43Å; P113-F361 VanDerWaalsContact CG-CG 3.43Å; R116-F361 HydrophobicContact CG-CB 4.46Å; T353-F361 HydrophobicContact CG2-CE1 4.23Å; T353-F361 HydrophobicContact CG2-CE2 3.83Å; T353-F361 HydrophobicContact CG2-CZ 3.5Å; T353-F361 VanDerWaalsContact CG2-CZ 3.5Å; T353-F361 PolarHBondContact N-O 3.04Å; T353-F361 PolarHBondContact O-N 2.79Å; L355-F361 HydrophobicContact CD1-CE1 4.05Å; L355-F361 HydrophobicContact CD1-CZ 4.02Å; L355-F361 HydrophobicContact CG-CE1 4.42Å; V359-F361 HydrophobicContact CG1-CD1 4.2Å; V359-F361 HydrophobicContact CG1-CE1 4.49Å; F361-D366 HydrophobicContact CD2-CB 4.14Å; F361-D366 HydrophobicContact CE2-CB 4.1Å; F361-D366 WeakPolarHBondContact CE2-OD2 3.39Å
362	E	97.8	Very high	97.4	Very high	64 Å²	64	33 Å²	33	30%	0.299	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	148.6	178.9	-61.2	-63.3	160.1	0	0	110.9	I117 K351 R352 H364 Y365	I117-E362 HydrophobicContact CD1-CG 4.37Å; I117-E362 WeakPolarHBondContact CD1-OE1 3.35Å; K351-E362 WeakPolarHBondContact O-CA 3.4Å; R352-E362 WeakPolarHBondContact CD-OE1 3.04Å; E362-H364 PolarHBondContact O-N 3.29Å; E362-Y365 HydrophobicContact CB-CD2 4.43Å; E362-Y365 PolarHBondContact O-N 3.48Å
363	S	97.5	Very high	97.4	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.014	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-61.8	-15.7	177.3	-50.5	0	0	0	0	113.8	Q328 Q331 V350 K351 Y365 D366	Q328-S363 PolarHBondContact NE2-OG 2.9Å; Q328-S363 PolarHBondContact OE1-OG 2.87Å; Q331-S363 PolarHBondContact N-O 2.82Å; Q331-S363 VanDerWaalsContact NE2-CB 3.33Å; V350-S363 PolarHBondContact O-OG 3.14Å; K351-S363 VanDerWaalsContact CA-OG 3.22Å; K351-S363 WeakPolarHBondContact CA-OG 3.48Å; K351-S363 PolarHBondContact O-N 3.36Å; K351-S363 PolarHBondContact O-OG 3.48Å; S363-Y365 VanDerWaalsContact C-N 3.27Å; S363-Y365 PolarHBondContact O-N 3.48Å; S363-D366 PolarHBondContact O-N 3.34Å
364	H	96.5	Very high	97.3	Very high	78 Å²	78	32.2 Å²	32.2	36%	0.361	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-63.2	-33.9	170.7	-174.8	68.8	0	0	0	112.9	W330 Q331 E362 D366	W330-H364 VanDerWaalsContact CD1-O 3.32Å; W330-H364 PolarHBondContact NE1-O 3.05Å; Q331-H364 WeakPolarHBondContact O-CA 3.45Å; Q331-H364 PolarHBondContact O-ND1 3.39Å; E362-H364 PolarHBondContact O-N 3.29Å; H364-D366 VanDerWaalsContact C-N 3.34Å
365	Y	97.6	Very high	97.3	Very high	78 Å²	78	32.5 Å²	32.5	31%	0.306	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-96.2	18.3	178.5	-63.5	-64.6	0	0	0	112.2	P113 F115 H226 N227 G228 E362 S363	P113-Y365 VanDerWaalsContact CB-O 3.3Å; P113-Y365 WeakPolarHBondContact CB-O 3.43Å; F115-Y365 HydrophobicContact CB-CD1 3.88Å; F115-Y365 HydrophobicContact CB-CD2 4.09Å; F115-Y365 HydrophobicContact CB-CE1 3.89Å; F115-Y365 HydrophobicContact CB-CE2 4.09Å; F115-Y365 HydrophobicContact CB-CG 3.98Å; F115-Y365 HydrophobicContact CD2-CD1 4.1Å; F115-Y365 AromaticContact CD2-CE1 3.9Å; F115-Y365 HydrophobicContact CD2-CE1 3.9Å; F115-Y365 HydrophobicContact CG-CD1 4.38Å; F115-Y365 HydrophobicContact CG-CE1 4.11Å; H226-Y365 AromaticContact NE2-CD1 3.98Å; N227-Y365 CarbonylContact C-O 3.58Å; N227-Y365 WeakPolarHBondContact CA-O 3.24Å; N227-Y365 VanDerWaalsContact OD1-C 3.31Å; N227-Y365 WeakPolarHBondContact OD1-CA 3.5Å; N227-Y365 PolarHBondContact OD1-O 2.95Å; G228-Y365 PolarHBondContact N-O 3.28Å; E362-Y365 HydrophobicContact CB-CD2 4.43Å; E362-Y365 PolarHBondContact O-N 3.48Å; S363-Y365 VanDerWaalsContact C-N 3.27Å; S363-Y365 PolarHBondContact O-N 3.48Å
366	D	98.2	Very high	97.2	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-132.8	117.7	-173.9	-168.1	8.1	0	0	0	112.2	Y110 G228 Q328 W330 F361 S363 H364 S368	Y110-D366 PolarHBondContact OH-OD2 3.31Å; G228-D366 VanDerWaalsContact CA-OD1 3.28Å; G228-D366 WeakPolarHBondContact CA-OD1 3.38Å; Q328-D366 PolarHBondContact NE2-OD2 3.48Å; W330-D366 WeakPolarHBondContact CA-O 3.42Å; W330-D366 VanDerWaalsContact CB-O 3.25Å; W330-D366 WeakPolarHBondContact CB-O 3.28Å; F361-D366 HydrophobicContact CD2-CB 4.14Å; F361-D366 HydrophobicContact CE2-CB 4.1Å; F361-D366 WeakPolarHBondContact CE2-OD2 3.39Å; S363-D366 PolarHBondContact O-N 3.34Å; H364-D366 VanDerWaalsContact C-N 3.34Å; D366-S368 WeakPolarHBondContact OD1-CB 3.49Å; D366-S368 PolarHBondContact OD1-N 2.9Å; D366-S368 PolarHBondContact OD1-OG 3.35Å; D366-S368 PolarHBondContact OD2-OG 2.92Å
367	H	97.8	Very high	97.3	Very high	24 Å²	24	43.2 Å²	43.2	11%	0.111	21%	0.212	C	C	.	.			trans	-89.7	-6.7	173.7	-82.9	-159.7	0	0	0	112.7	T206 N227 G228 Q229 W330 K369	T206-H367 WeakPolarHBondContact CB-O 3.43Å; T206-H367 PolarHBondContact OG1-O 3.04Å; N227-H367 HydrophobicContact CB-CB 4Å; N227-H367 VanDerWaalsContact CG-CD2 3.45Å; N227-H367 PolarHBondContact ND2-CD2 2.85Å; N227-H367 PolarHBondContact ND2-CE1 2.92Å; N227-H367 PolarHBondContact ND2-NE2 2.91Å; G228-H367 CarbonylContact O-C 3.53Å; G228-H367 VanDerWaalsContact O-CA 3.3Å; G228-H367 WeakPolarHBondContact O-CA 3.32Å; G228-H367 VanDerWaalsContact O-CB 3.31Å; G228-H367 WeakPolarHBondContact O-CB 3.25Å; G228-H367 PolarHBondContact O-N 3.25Å; Q229-H367 HydrophobicContact CG-CB 4.01Å; W330-H367 AromaticContact CD1-CD2 3.72Å; W330-H367 AromaticContact CD2-CD2 3.36Å; W330-H367 AromaticContact CD2-NE2 3.26Å; W330-H367 VanDerWaalsContact CD2-NE2 3.26Å; W330-H367 AromaticContact CE2-CD2 3.62Å; W330-H367 AromaticContact CE2-NE2 3.27Å; W330-H367 VanDerWaalsContact CE2-NE2 3.27Å; W330-H367 AromaticContact CE3-CD2 3.8Å; W330-H367 AromaticContact CE3-NE2 3.39Å; W330-H367 AromaticContact CG-CD2 3.47Å; W330-H367 VanDerWaalsContact CG-CD2 3.47Å; W330-H367 AromaticContact CG-NE2 3.92Å; W330-H367 AromaticContact CH2-NE2 3.57Å; W330-H367 AromaticContact CZ2-NE2 3.45Å; W330-H367 WeakPolarHBondContact CZ2-NE2 3.26Å; W330-H367 AromaticContact CZ3-NE2 3.54Å; W330-H367 AromaticContact NE1-CD2 3.81Å; W330-H367 AromaticContact NE1-NE2 3.88Å; H367-K369 PolarHBondContact O-NZ 3.33Å
368	S	98.3	Very high	97.5	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.195	C	C	.	.			trans	-56.4	149.2	170.9	82.5	0	0	0	0	110.5	Y110 G228 D366 W370	Y110-S368 PolarHBondContact OH-OG 3.38Å; G228-S368 PolarHBondContact O-N 2.85Å; G228-S368 VanDerWaalsContact O-N 3.16Å; D366-S368 WeakPolarHBondContact OD1-CB 3.49Å; D366-S368 PolarHBondContact OD1-N 2.9Å; D366-S368 PolarHBondContact OD1-OG 3.35Å; D366-S368 PolarHBondContact OD2-OG 2.92Å; S368-W370 PolarHBondContact OG-NE1 3.35Å
369	K	98.6	Very high	97.7	Very high	5 Å²	5	41.1 Å²	41.1	2%	0.022	19%	0.188	C	C	.	.			trans	-138	109.2	-179.5	-64.5	161.5	-172.8	54.4	0	106.2	T206 Q328 T329 H367 G384 D385 N387	T206-K369 HydrophobicContact CG2-CB 4.36Å; T206-K369 HydrophobicContact CG2-CD 4.22Å; T206-K369 HydrophobicContact CG2-CG 4.39Å; Q328-K369 VanDerWaalsContact O-CA 3.28Å; Q328-K369 WeakPolarHBondContact O-CA 3.37Å; T329-K369 HydrophobicContact CG2-CB 4.37Å; T329-K369 HydrophobicContact CG2-CG 4.18Å; H367-K369 PolarHBondContact O-NZ 3.33Å; K369-G384 WeakPolarHBondContact CB-O 3.47Å; K369-G384 PolarHBondContact O-N 2.82Å; K369-D385 WeakPolarHBondContact CD-O 3.42Å; K369-D385 WeakPolarHBondContact CE-O 3.36Å; K369-N387 WeakPolarHBondContact CE-OD1 3.26Å; K369-N387 PolarHBondContact NZ-OD1 3.28Å
370	W	98.9	Very high	97.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	156.3	179.2	55.9	-93.5	0	0	0	109.9	Y110 Q328 V350 T353 S368 V372 C382 L383 F411 A414 V415	Y110-W370 AromaticContact CE2-NE1 3.54Å; Y110-W370 AromaticContact CZ-NE1 3.81Å; Y110-W370 PolarHBondContact OH-NE1 3.43Å; Q328-W370 HydrophobicContact CB-CD2 3.68Å; Q328-W370 HydrophobicContact CB-CE3 4.24Å; Q328-W370 HydrophobicContact CB-CG 4.1Å; Q328-W370 HydrophobicContact CB-CH2 4.16Å; Q328-W370 HydrophobicContact CB-CZ2 3.58Å; Q328-W370 HydrophobicContact CB-CZ3 4.45Å; Q328-W370 HydrophobicContact CG-CD2 4.38Å; Q328-W370 HydrophobicContact CG-CZ2 3.96Å; Q328-W370 VanDerWaalsContact CG-NE1 3.35Å; Q328-W370 PolarHBondContact N-O 2.84Å; Q328-W370 PolarHBondContact O-N 2.89Å; Q328-W370 VanDerWaalsContact O-O 3.09Å; V350-W370 HydrophobicContact CG2-CH2 4.44Å; T353-W370 HydrophobicContact CG2-CZ2 4.3Å; S368-W370 PolarHBondContact OG-NE1 3.35Å; W370-V372 HydrophobicContact CE3-CB 4.49Å; W370-V372 HydrophobicContact CE3-CG1 4.48Å; W370-V372 HydrophobicContact CZ3-CB 4.25Å; W370-V372 HydrophobicContact CZ3-CG1 3.8Å; W370-C382 CarbonylContact C-O 3.41Å; W370-C382 WeakPolarHBondContact CA-O 3.36Å; W370-C382 VanDerWaalsContact CB-O 3.23Å; W370-C382 WeakPolarHBondContact CB-O 3.07Å; W370-L383 HydrophobicContact CB-CG 4.43Å; W370-F411 HydrophobicContact CB-CD1 4.19Å; W370-F411 HydrophobicContact CB-CE1 3.92Å; W370-F411 AromaticContact CD1-CE1 3.77Å; W370-F411 AromaticContact CD2-CD1 3.48Å; W370-F411 HydrophobicContact CD2-CD1 3.48Å; W370-F411 VanDerWaalsContact CD2-CD1 3.48Å; W370-F411 AromaticContact CD2-CE1 3.82Å; W370-F411 HydrophobicContact CD2-CE1 3.82Å; W370-F411 AromaticContact CE2-CD1 3.9Å; W370-F411 HydrophobicContact CE3-CB 4.5Å; W370-F411 AromaticContact CE3-CD1 3.67Å; W370-F411 HydrophobicContact CE3-CD1 3.67Å; W370-F411 HydrophobicContact CE3-CE1 4.43Å; W370-F411 AromaticContact CG-CD1 3.73Å; W370-F411 HydrophobicContact CG-CD1 3.73Å; W370-F411 AromaticContact CG-CE1 3.56Å; W370-F411 HydrophobicContact CG-CE1 3.56Å; W370-F411 HydrophobicContact CZ2-CD1 4.46Å; W370-F411 HydrophobicContact CZ3-CD1 4.24Å; W370-A414 HydrophobicContact CH2-CB 4.29Å; W370-A414 HydrophobicContact CZ2-CB 4.28Å; W370-V415 HydrophobicContact CH2-CG2 3.71Å; W370-V415 HydrophobicContact CZ3-CG2 3.93Å
371	C	98.9	Very high	97.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	156.1	169.2	62.3	0	0	0	0	110.4	Y313 L325 L326 V327 V381 C382	Y313-C371 HydrophobicContact CD1-CB 4.12Å; Y313-C371 HydrophobicContact CE1-CB 4.24Å; L325-C371 HydrophobicContact CB-CB 4.38Å; L325-C371 HydrophobicContact CD1-CB 4.45Å; L326-C371 CarbonylContact O-C 3.6Å; L326-C371 WeakPolarHBondContact O-CA 3.4Å; V327-C371 HydrophobicContact CB-CB 4.27Å; V327-C371 HydrophobicContact CG1-CB 4.32Å; V327-C371 HydrophobicContact CG2-CB 3.69Å; C371-V381 CarbonylContact O-C 3.45Å; C371-V381 VanDerWaalsContact O-CA 3.32Å; C371-V381 WeakPolarHBondContact O-CA 3.39Å; C371-C382 PolarHBondContact N-O 3.24Å; C371-C382 PolarHBondContact O-N 3.22Å; C371-C382 VanDerWaalsContact SG-CB 3.55Å
372	V	98.9	Very high	97.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	144.7	177.6	67.9	0	0	0	0	108.9	L326 W370 Q374 V380 Y408 R412 V415	L326-V372 HydrophobicContact CB-CG1 3.93Å; L326-V372 HydrophobicContact CD1-CG1 4.4Å; L326-V372 PolarHBondContact N-O 2.78Å; L326-V372 PolarHBondContact O-N 2.85Å; W370-V372 HydrophobicContact CE3-CB 4.49Å; W370-V372 HydrophobicContact CE3-CG1 4.48Å; W370-V372 HydrophobicContact CZ3-CB 4.25Å; W370-V372 HydrophobicContact CZ3-CG1 3.8Å; V372-Q374 PolarHBondContact O-N 2.88Å; V372-V380 CarbonylContact C-O 3.51Å; V372-V380 VanDerWaalsContact CA-O 3.3Å; V372-V380 WeakPolarHBondContact CA-O 3.38Å; V372-V380 WeakPolarHBondContact CG2-O 3.43Å; V372-Y408 HydrophobicContact CG2-CD2 3.51Å; V372-Y408 HydrophobicContact CG2-CE2 3.34Å; V372-R412 HydrophobicContact CG2-CB 4Å; V372-V415 HydrophobicContact CG1-CG2 3.86Å
373	S	98.7	Very high	97.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	137.2	174.6	64.3	0	0	0	0	110.5	T323 D324 A375 Q379 V380 Y408	T323-S373 WeakPolarHBondContact OG1-CB 3.25Å; D324-S373 CarbonylContact O-C 3.48Å; D324-S373 WeakPolarHBondContact O-CA 3.49Å; S373-A375 PolarHBondContact OG-O 3.16Å; S373-Q379 PolarHBondContact OG-N 2.92Å; S373-V380 PolarHBondContact N-O 3.46Å; S373-V380 PolarHBondContact OG-N 2.75Å; S373-Y408 PolarHBondContact O-OH 3.39Å; S373-Y408 WeakPolarHBondContact OG-CE2 3.37Å
374	Q	97.8	Very high	97.9	Very high	54 Å²	54	33.7 Å²	33.7	25%	0.252	16%	0.158	S	C	.	.	S	Bend	trans	-69.8	-49	177.3	-179.5	177.7	-1.4	0	0	110.5	D324 L326 M348 V372 Y418	D324-Q374 HydrophobicContact CB-CB 4.01Å; D324-Q374 PolarHBondContact O-N 3.17Å; L326-Q374 HydrophobicContact CD1-CB 4.4Å; L326-Q374 HydrophobicContact CD1-CG 4.47Å; L326-Q374 HydrophobicContact CD2-CB 4.17Å; L326-Q374 HydrophobicContact CD2-CG 4.2Å; L326-Q374 HydrophobicContact CG-CB 4.03Å; L326-Q374 HydrophobicContact CG-CG 4.41Å; M348-Q374 PolarHBondContact SD-OE1 2.9Å; M348-Q374 VanDerWaalsContact SD-OE1 3.36Å; V372-Q374 PolarHBondContact O-N 2.88Å; Q374-Y418 PolarHBondContact NE2-OH 3.43Å
375	A	96.7	Very high	98	Very high	30 Å²	30	30.5 Å²	30.5	25%	0.248	14%	0.144	C	C	.	.	S	Bend	trans	-68.7	141.3	174.4	0	0	0	0	0	110.2	S373 E377 Y408	S373-A375 PolarHBondContact OG-O 3.16Å; A375-E377 HydrophobicContact CB-CG 4.3Å; A375-Y408 PolarHBondContact O-OH 2.77Å
376	Y	96.1	Very high	98	Very high	139 Å²	139	27 Å²	27	55%	0.545	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-23.7	-171.3	-72.2	-75.1	0	0	0	112.9	Q379 Y408 R412	Y376-Q379 WeakPolarHBondContact O-CG 3.32Å; Y376-Y408 WeakPolarHBondContact CA-OH 3.13Å; Y376-Y408 HydrophobicContact CD1-CE1 4.37Å; Y376-Y408 WeakPolarHBondContact CD1-OH 2.93Å; Y376-R412 HydrophobicContact CD1-CG 4.15Å; Y376-R412 HydrophobicContact CE1-CG 3.7Å; Y376-R412 PolarHBondContact OH-NH2 3.06Å; Y376-R412 VanDerWaalsContact OH-NH2 3.13Å
377	E	95.9	Very high	97.9	Very high	149 Å²	149	27.5 Å²	27.5	70%	0.696	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-31.9	179.6	55.1	-90.9	-139.9	0	0	113	A375	A375-E377 HydrophobicContact CB-CG 4.3Å
378	D	96.8	Very high	97.9	Very high	57 Å²	57	26.5 Å²	26.5	31%	0.305	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-31.4	-176.5	-62.8	-28.5	0	0	0	112.9	T323 V380	T323-D378 WeakPolarHBondContact CB-OD2 2.96Å; T323-D378 PolarHBondContact OG1-OD2 2.94Å; D378-V380 VanDerWaalsContact C-N 3.26Å; D378-V380 HydrophobicContact CB-CG2 4.49Å; D378-V380 VanDerWaalsContact O-CG2 3.26Å; D378-V380 WeakPolarHBondContact O-CG2 2.98Å; D378-V380 PolarHBondContact O-N 2.85Å; D378-V380 VanDerWaalsContact O-N 3.11Å
379	Q	97.6	Very high	97.8	Very high	76 Å²	76	27.5 Å²	27.5	36%	0.355	13%	0.134	S	C	.	.			trans	48.1	37.9	176.2	-58	-168.2	18.6	0	0	115.9	S373 Y376 Y408	S373-Q379 PolarHBondContact OG-N 2.92Å; Y376-Q379 WeakPolarHBondContact O-CG 3.32Å; Q379-Y408 VanDerWaalsContact CA-CD2 3.42Å; Q379-Y408 HydrophobicContact CB-CD1 3.94Å; Q379-Y408 HydrophobicContact CB-CD2 4.27Å; Q379-Y408 HydrophobicContact CB-CE1 4.42Å; Q379-Y408 HydrophobicContact CB-CG 3.86Å; Q379-Y408 HydrophobicContact CG-CD1 3.8Å; Q379-Y408 HydrophobicContact CG-CE1 3.99Å; Q379-Y408 HydrophobicContact CG-CG 4.26Å
380	V	98.3	Very high	97.6	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.018	17%	0.166	C	C	.	.			trans	-99	138.4	179.5	-168.4	0	0	0	0	111.2	L321 V372 S373 D378 C401 Y403	L321-V380 HydrophobicContact CD1-CG1 3.82Å; L321-V380 HydrophobicContact CD2-CG1 4.45Å; V372-V380 CarbonylContact C-O 3.51Å; V372-V380 VanDerWaalsContact CA-O 3.3Å; V372-V380 WeakPolarHBondContact CA-O 3.38Å; V372-V380 WeakPolarHBondContact CG2-O 3.43Å; S373-V380 PolarHBondContact N-O 3.46Å; S373-V380 PolarHBondContact OG-N 2.75Å; D378-V380 VanDerWaalsContact C-N 3.26Å; D378-V380 HydrophobicContact CB-CG2 4.49Å; D378-V380 VanDerWaalsContact O-CG2 3.26Å; D378-V380 WeakPolarHBondContact O-CG2 2.98Å; D378-V380 PolarHBondContact O-N 2.85Å; D378-V380 VanDerWaalsContact O-N 3.11Å; V380-C401 HydrophobicContact CG1-CB 4.27Å; V380-Y403 HydrophobicContact CG2-CD1 3.76Å; V380-Y403 HydrophobicContact CG2-CE1 3.43Å; V380-Y403 VanDerWaalsContact CG2-CE1 3.43Å
381	V	98.7	Very high	97.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	136.1	170.1	59.7	0	0	0	0	109.3	C371 C401 S402 I407 F411	C371-V381 CarbonylContact O-C 3.45Å; C371-V381 VanDerWaalsContact O-CA 3.32Å; C371-V381 WeakPolarHBondContact O-CA 3.39Å; V381-C401 CarbonylContact O-C 3.4Å; V381-C401 VanDerWaalsContact O-CA 3.23Å; V381-C401 WeakPolarHBondContact O-CA 3.05Å; V381-S402 PolarHBondContact N-O 2.91Å; V381-S402 PolarHBondContact O-N 3.09Å; V381-I407 HydrophobicContact CB-CG2 4.5Å; V381-I407 HydrophobicContact CG1-CB 3.92Å; V381-I407 HydrophobicContact CG1-CG2 3.44Å; V381-I407 VanDerWaalsContact CG1-CG2 3.44Å; V381-I407 HydrophobicContact CG2-CG2 4.37Å; V381-F411 HydrophobicContact CG2-CB 3.65Å; V381-F411 HydrophobicContact CG2-CD1 4.21Å; V381-F411 HydrophobicContact CG2-CD2 3.72Å; V381-F411 HydrophobicContact CG2-CE2 4.42Å; V381-F411 HydrophobicContact CG2-CG 3.59Å
382	C	98.9	Very high	97.1	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	143.8	174.4	-41.1	0	0	0	0	111.6	W370 C371 L399 I400 C401	W370-C382 CarbonylContact C-O 3.41Å; W370-C382 WeakPolarHBondContact CA-O 3.36Å; W370-C382 VanDerWaalsContact CB-O 3.23Å; W370-C382 WeakPolarHBondContact CB-O 3.07Å; C371-C382 PolarHBondContact N-O 3.24Å; C371-C382 PolarHBondContact O-N 3.22Å; C371-C382 VanDerWaalsContact SG-CB 3.55Å; C382-L399 HydrophobicContact CB-CB 4.05Å; C382-L399 HydrophobicContact CB-CD1 4.27Å; C382-I400 CarbonylContact C-O 3.56Å; C382-I400 VanDerWaalsContact CA-O 3.29Å; C382-I400 WeakPolarHBondContact CA-O 3.45Å; C382-C401 HydrophobicContact CB-CB 3.92Å; C382-C401 WeakPolarHBondContact CB-SG 3.42Å; C382-C401 WeakPolarHBondContact SG-CB 3.2Å; C382-C401 CovalentContact SG-SG 2.03Å; C382-C401 PolarHBondContact SG-SG 3.33Å
383	L	98.9	Very high	96.9	Very high	10 Å²	10	41 Å²	41	5%	0.052	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	140.4	172.1	-66.6	92.8	0	0	0	109.6	I108 T230 L232 W370 L399 I400 F411	I108-L383 HydrophobicContact CD1-CD1 4.2Å; I108-L383 HydrophobicContact CG2-CD2 3.96Å; T230-L383 HydrophobicContact CG2-CD2 4.45Å; L232-L383 HydrophobicContact CB-CD2 4.26Å; L232-L383 HydrophobicContact CD2-CD1 4.42Å; W370-L383 HydrophobicContact CB-CG 4.43Å; L383-L399 CarbonylContact O-C 3.5Å; L383-L399 VanDerWaalsContact O-CA 3.32Å; L383-L399 WeakPolarHBondContact O-CA 3.19Å; L383-I400 PolarHBondContact N-O 2.69Å; L383-I400 PolarHBondContact O-N 2.96Å; L383-F411 HydrophobicContact CD1-CE2 4.46Å; L383-F411 HydrophobicContact CD1-CZ 4.38Å; L383-F411 HydrophobicContact CD2-CZ 3.9Å; L383-F411 HydrophobicContact CG-CZ 4.26Å
384	G	97.4	Very high	96.8	Very high	4 Å²	4	46.2 Å²	46.2	4%	0.041	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	172.1	-159	0	0	0	0	0	118.2	K369 G398	K369-G384 WeakPolarHBondContact CB-O 3.47Å; K369-G384 PolarHBondContact O-N 2.82Å; G384-G398 WeakPolarHBondContact CA-O 3.37Å
385	D	98.3	Very high	96.7	Very high	12 Å²	12	44.7 Å²	44.7	6%	0.064	23%	0.226	C	C	.	.	S	Bend	trans	-99.8	-34.5	-179.9	-74.9	-33.5	0	0	0	113.6	H188 T189 K369 G398	H188-D385 PolarHBondContact CD2-O 2.77Å; H188-D385 WeakPolarHBondContact O-CB 3.32Å; T189-D385 WeakPolarHBondContact CA-OD1 3.4Å; T189-D385 VanDerWaalsContact CB-OD2 3.26Å; T189-D385 WeakPolarHBondContact CB-OD2 3.47Å; T189-D385 PolarHBondContact OG1-OD1 2.9Å; T189-D385 PolarHBondContact OG1-OD2 3.11Å; K369-D385 WeakPolarHBondContact CD-O 3.42Å; K369-D385 WeakPolarHBondContact CE-O 3.36Å; D385-G398 PolarHBondContact N-O 2.83Å; D385-G398 PolarHBondContact OD2-N 2.89Å
386	L	98	Very high	96.8	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.021	22%	0.215	C	C	.	.			trans	-100.6	135.9	-166.2	-58.7	-179.1	0	0	0	113.3	H188 K304 I312 Y313 T329 Q392	H188-L386 HydrophobicContact CB-CD2 3.78Å; K304-L386 HydrophobicContact CD-CD1 3.7Å; K304-L386 HydrophobicContact CG-CD1 4.21Å; I312-L386 HydrophobicContact CB-CD1 4.27Å; I312-L386 HydrophobicContact CD1-CD1 4.37Å; I312-L386 HydrophobicContact CG2-CB 4.31Å; I312-L386 HydrophobicContact CG2-CD1 4.07Å; Y313-L386 WeakPolarHBondContact CE2-O 3.24Å; Y313-L386 PolarHBondContact OH-O 3.08Å; T329-L386 WeakPolarHBondContact CG2-O 3.17Å; L386-Q392 HydrophobicContact CD2-CB 4.47Å
387	N	97.5	Very high	96.9	Very high	11 Å²	11	36.8 Å²	36.8	6%	0.059	19%	0.189	C	C	.	.			trans	-78.7	153.4	164.7	-64.6	-35.2	0	0	0	110.3	W330 K369 V389 Q392	W330-N387 WeakPolarHBondContact CB-OD1 3.4Å; W330-N387 PolarHBondContact N-OD1 2.63Å; K369-N387 WeakPolarHBondContact CE-OD1 3.26Å; K369-N387 PolarHBondContact NZ-OD1 3.28Å; N387-V389 VanDerWaalsContact C-N 3.27Å; N387-V389 HydrophobicContact CB-CG1 4.39Å; N387-V389 HydrophobicContact CB-CG2 4.22Å; N387-V389 PolarHBondContact O-N 2.82Å; N387-Q392 HydrophobicContact CB-CG 4.43Å
388	R	97.1	Very high	97	Very high	2 Å²	2	30 Å²	30	1%	0.008	16%	0.16	C	C	.	.	S	Bend	trans	-79	73.7	171.5	-66.9	-172.2	73.9	-160.6	7	111.1	D311 Y313 T314 V327 T329 E336 L337 P338 T347 N349	D311-R388 IonicContact OD2-CZ 3.72Å; D311-R388 IonicContact OD2-NE 2.69Å; D311-R388 PolarHBondContact OD2-NE 3.47Å; D311-R388 IonicContact OD2-NH2 3.65Å; D311-R388 PolarHBondContact OD2-NH2 3.18Å; Y313-R388 HydrophobicContact CD2-CG 3.59Å; Y313-R388 HydrophobicContact CE2-CG 3.88Å; Y313-R388 HydrophobicContact CG-CG 4.47Å; T314-R388 PolarHBondContact OG1-NH2 3.27Å; V327-R388 HydrophobicContact CG1-CG 4.2Å; T329-R388 HydrophobicContact CG2-CG 4.18Å; T329-R388 PolarHBondContact OG1-N 2.76Å; E336-R388 CarbonylContact C-O 3.45Å; E336-R388 WeakPolarHBondContact CA-O 3.47Å; L337-R388 HydrophobicContact CB-CB 4.41Å; L337-R388 PolarHBondContact N-O 3.31Å; P338-R388 PolarHBondContact O-NH2 2.86Å; T347-R388 PolarHBondContact O-NH1 3.34Å; T347-R388 VanDerWaalsContact O-NH1 3.09Å; T347-R388 PolarHBondContact O-NH2 2.93Å; N349-R388 WeakPolarHBondContact OD1-CD 3.27Å; N349-R388 PolarHBondContact OD1-NH1 3.17Å
389	V	95.8	Very high	97.1	Very high	21 Å²	21	27.4 Å²	27.4	13%	0.127	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-139.6	147.3	175.9	-58.1	0	0	0	0	110.3	R335 N387 A391 Q392 M393	R335-V389 WeakPolarHBondContact O-CG1 3.26Å; N387-V389 VanDerWaalsContact C-N 3.27Å; N387-V389 HydrophobicContact CB-CG1 4.39Å; N387-V389 HydrophobicContact CB-CG2 4.22Å; N387-V389 PolarHBondContact O-N 2.82Å; V389-A391 VanDerWaalsContact C-N 3.28Å; V389-A391 PolarHBondContact O-N 3.35Å; V389-A391 VanDerWaalsContact O-N 3.16Å; V389-Q392 HydrophobicContact CG2-CB 3.81Å; V389-Q392 HydrophobicContact CG2-CG 3.35Å; V389-Q392 PolarHBondContact O-N 2.65Å; V389-M393 PolarHBondContact O-N 2.84Å
390	K	94.7	Very high	97.2	Very high	159 Å²	159	24.3 Å²	24.3	69%	0.691	13%	0.131	S	C	*	.	H	α-helix	trans	-51.6	-43.3	-177.1	-69.1	-174.6	179.3	-178.9	0	113.7	L337 Q392 M393	L337-K390 HydrophobicContact CD2-CG 3.77Å; K390-Q392 PolarHBondContact O-N 3.39Å; K390-M393 HydrophobicContact CG-SD 4.49Å; K390-M393 WeakPolarHBondContact O-CB 3.38Å; K390-M393 PolarHBondContact O-N 2.71Å; K390-M393 VanDerWaalsContact O-N 3.15Å
391	A	92.8	Very high	97.2	Very high	64 Å²	64	24.1 Å²	24.1	53%	0.529	13%	0.13	S	C	.	.	H	α-helix	trans	-64.4	-22	-178.2	0	0	0	0	0	114.2	V389	V389-A391 VanDerWaalsContact C-N 3.28Å; V389-A391 PolarHBondContact O-N 3.35Å; V389-A391 VanDerWaalsContact O-N 3.16Å
392	Q	94.3	Very high	97.2	Very high	24 Å²	24	24.3 Å²	24.3	11%	0.112	13%	0.132	C	C	.	.	H	α-helix	trans	-91	-14.7	179.2	-66.5	-73.3	-11.9	0	0	112.2	H188 L386 N387 V389 K390 L394 R395	H188-Q392 PolarHBondContact CD2-NE2 3.14Å; H188-Q392 PolarHBondContact CD2-OE1 2.69Å; H188-Q392 VanDerWaalsContact CD2-OE1 3.25Å; L386-Q392 HydrophobicContact CD2-CB 4.47Å; N387-Q392 HydrophobicContact CB-CG 4.43Å; V389-Q392 HydrophobicContact CG2-CB 3.81Å; V389-Q392 HydrophobicContact CG2-CG 3.35Å; V389-Q392 PolarHBondContact O-N 2.65Å; K390-Q392 PolarHBondContact O-N 3.39Å; Q392-L394 PolarHBondContact O-N 3.38Å; Q392-R395 PolarHBondContact O-N 3.48Å
393	M	94.8	Very high	97.1	Very high	41 Å²	41	28.8 Å²	28.8	20%	0.202	15%	0.149	C	C	.	.	H	α-helix	trans	-64.4	-28.2	172.5	-65.4	164.7	59.3	0	0	111.7	K304 F308 V309 L337 V389 K390 R395	K304-M393 PolarHBondContact NZ-O 2.77Å; F308-M393 VanDerWaalsContact O-O 3.09Å; V309-M393 WeakPolarHBondContact O-CB 3.18Å; V309-M393 WeakPolarHBondContact O-CE 3.27Å; L337-M393 HydrophobicContact CD1-CG 4.47Å; L337-M393 HydrophobicContact CD1-SD 3.79Å; L337-M393 HydrophobicContact CD2-SD 4.33Å; V389-M393 PolarHBondContact O-N 2.84Å; K390-M393 HydrophobicContact CG-SD 4.49Å; K390-M393 WeakPolarHBondContact O-CB 3.38Å; K390-M393 PolarHBondContact O-N 2.71Å; K390-M393 VanDerWaalsContact O-N 3.15Å; M393-R395 VanDerWaalsContact C-N 3.31Å; M393-R395 PolarHBondContact O-N 3.16Å
394	L	95.6	Very high	97	Very high	110 Å²	110	29.5 Å²	29.5	58%	0.576	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.6	25.8	178.6	-55.3	177.7	0	0	0	112.9	E306 V309 Q392	E306-L394 VanDerWaalsContact CB-O 3.3Å; E306-L394 WeakPolarHBondContact CB-O 3.44Å; V309-L394 HydrophobicContact CB-CD2 4.03Å; V309-L394 HydrophobicContact CG1-CD2 3.69Å; Q392-L394 PolarHBondContact O-N 3.38Å
395	R	97.2	Very high	97	Very high	23 Å²	23	32.7 Å²	32.7	9%	0.087	17%	0.173	C	C	.	.	S	Bend	trans	-131.8	149.5	178.5	-64	-173.2	68.6	-162.2	0.5	110.5	D175 Y186 G187 H188 K304 Q392 M393	D175-R395 IonicContact OD2-CZ 3.19Å; D175-R395 IonicContact OD2-NH1 2.84Å; D175-R395 PolarHBondContact OD2-NH1 3.02Å; D175-R395 IonicContact OD2-NH2 2.71Å; D175-R395 PolarHBondContact OD2-NH2 3.33Å; Y186-R395 PolarHBondContact O-NE 2.94Å; Y186-R395 PolarHBondContact O-NH2 3.49Å; G187-R395 PolarHBondContact O-NH2 2.95Å; H188-R395 VanDerWaalsContact CB-CZ 3.43Å; H188-R395 VanDerWaalsContact CG-NH1 3.31Å; H188-R395 PolarHBondContact ND1-NH1 2.82Å; H188-R395 VanDerWaalsContact ND1-NH1 3.15Å; K304-R395 WeakPolarHBondContact CE-O 3.22Å; Q392-R395 PolarHBondContact O-N 3.48Å; M393-R395 VanDerWaalsContact C-N 3.31Å; M393-R395 PolarHBondContact O-N 3.16Å
396	G	98.1	Very high	96.9	Very high	2 Å²	2	34.4 Å²	34.4	2%	0.021	18%	0.183	C	C	.	.			trans	-66.2	150.3	168	0	0	0	0	0	111.7	G187 H188 K304	G187-G396 CarbonylContact C-O 3.56Å; G187-G396 WeakPolarHBondContact CA-O 3.22Å; H188-G396 PolarHBondContact N-O 2.8Å; K304-G396 WeakPolarHBondContact O-CA 3.33Å
397	G	98.4	Very high	96.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.4	171.2	-178.5	0	0	0	0	0	110.8	K304	K304-G397 VanDerWaalsContact CG-O 3.27Å; K304-G397 WeakPolarHBondContact CG-O 3.44Å; K304-G397 PolarHBondContact N-O 2.84Å; K304-G397 PolarHBondContact O-N 3.2Å; K304-G397 VanDerWaalsContact O-N 3.08Å
398	G	98.4	Very high	97	Very high	8 Å²	8	34.2 Å²	34.2	8%	0.082	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	179.8	179.3	0	0	0	0	0	115.2	F302 G384 D385	F302-G398 CarbonylContact O-C 3.55Å; F302-G398 WeakPolarHBondContact O-CA 3.45Å; G384-G398 WeakPolarHBondContact CA-O 3.37Å; D385-G398 PolarHBondContact N-O 2.83Å; D385-G398 PolarHBondContact OD2-N 2.89Å
399	L	98.8	Very high	97	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	141.9	170.4	-55.2	179.3	0	0	0	109.3	S301 F302 I312 Y313 V317 C382 L383	S301-L399 WeakPolarHBondContact CA-O 3.31Å; F302-L399 HydrophobicContact CB-CB 4.38Å; F302-L399 PolarHBondContact N-O 3.03Å; F302-L399 PolarHBondContact O-N 3.31Å; I312-L399 HydrophobicContact CD1-CG 4.25Å; Y313-L399 HydrophobicContact CD1-CD1 3.87Å; Y313-L399 HydrophobicContact CD1-CD2 4.44Å; Y313-L399 HydrophobicContact CE1-CD1 3.76Å; Y313-L399 HydrophobicContact CE1-CD2 3.54Å; Y313-L399 HydrophobicContact CE1-CG 4.31Å; V317-L399 HydrophobicContact CB-CD1 4.04Å; V317-L399 HydrophobicContact CG1-CD1 3.8Å; V317-L399 HydrophobicContact CG2-CD1 3.56Å; V317-L399 HydrophobicContact CG2-CG 4.49Å; C382-L399 HydrophobicContact CB-CB 4.05Å; C382-L399 HydrophobicContact CB-CD1 4.27Å; L383-L399 CarbonylContact O-C 3.5Å; L383-L399 VanDerWaalsContact O-CA 3.32Å; L383-L399 WeakPolarHBondContact O-CA 3.19Å
400	I	98.9	Very high	97.1	Very high	10 Å²	10	39.2 Å²	39.2	5%	0.051	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	109.6	167.3	-57.5	171.3	0	0	0	106.9	W202 L232 F299 C382 L383	W202-I400 HydrophobicContact CD2-CD1 4.34Å; W202-I400 HydrophobicContact CE3-CD1 4.02Å; W202-I400 HydrophobicContact CH2-CD1 3.74Å; W202-I400 HydrophobicContact CH2-CG1 4.12Å; W202-I400 HydrophobicContact CZ2-CD1 4.06Å; W202-I400 HydrophobicContact CZ3-CD1 3.71Å; W202-I400 HydrophobicContact CZ3-CG1 4.19Å; L232-I400 HydrophobicContact CD2-CB 3.95Å; L232-I400 HydrophobicContact CD2-CD1 4.23Å; L232-I400 HydrophobicContact CD2-CG2 3.67Å; F299-I400 HydrophobicContact CB-CG2 4.1Å; F299-I400 HydrophobicContact CD1-CG2 3.85Å; F299-I400 HydrophobicContact CG-CG2 4.32Å; C382-I400 CarbonylContact C-O 3.56Å; C382-I400 VanDerWaalsContact CA-O 3.29Å; C382-I400 WeakPolarHBondContact CA-O 3.45Å; L383-I400 PolarHBondContact N-O 2.69Å; L383-I400 PolarHBondContact O-N 2.96Å
401	C	98.9	Very high	97.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	145.5	-179.7	-59.4	0	0	0	0	111.4	F299 V300 F302 V380 V381 C382	F299-C401 CarbonylContact C-O 3.54Å; F299-C401 WeakPolarHBondContact CA-O 3.28Å; V300-C401 HydrophobicContact CB-CB 4.31Å; V300-C401 PolarHBondContact N-O 2.88Å; V300-C401 PolarHBondContact O-N 2.97Å; F302-C401 HydrophobicContact CE2-CB 4.46Å; V380-C401 HydrophobicContact CG1-CB 4.27Å; V381-C401 CarbonylContact O-C 3.4Å; V381-C401 VanDerWaalsContact O-CA 3.23Å; V381-C401 WeakPolarHBondContact O-CA 3.05Å; C382-C401 HydrophobicContact CB-CB 3.92Å; C382-C401 WeakPolarHBondContact CB-SG 3.42Å; C382-C401 WeakPolarHBondContact SG-CB 3.2Å; C382-C401 CovalentContact SG-SG 2.03Å; C382-C401 PolarHBondContact SG-SG 3.33Å
402	S	98.6	Very high	97.5	Very high	4 Å²	4	30.4 Å²	30.4	3%	0.028	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	149.5	174.4	-175	0	0	0	0	109.8	V381 N404	V381-S402 PolarHBondContact N-O 2.91Å; V381-S402 PolarHBondContact O-N 3.09Å; S402-N404 WeakPolarHBondContact OG-CB 3.21Å; S402-N404 PolarHBondContact OG-N 3.38Å; S402-N404 VanDerWaalsContact OG-N 3.08Å
403	Y	97.1	Very high	97.7	Very high	94 Å²	94	36.1 Å²	36.1	37%	0.369	18%	0.177	S	C	.	.			trans	-107.5	11.7	171.2	-61.2	-94.5	0	0	0	111.2	V300 L321 V380 P405	V300-Y403 HydrophobicContact CG2-CE2 3.88Å; L321-Y403 VanDerWaalsContact CD2-OH 3.23Å; L321-Y403 WeakPolarHBondContact CD2-OH 3.11Å; V380-Y403 HydrophobicContact CG2-CD1 3.76Å; V380-Y403 HydrophobicContact CG2-CE1 3.43Å; V380-Y403 VanDerWaalsContact CG2-CE1 3.43Å; Y403-P405 WeakPolarHBondContact O-CD 3.33Å
404	N	97.4	Very high	97.9	Very high	25 Å²	25	34.2 Å²	34.2	13%	0.134	17%	0.167	C	C	.	.			trans	-68.9	121.5	-179.5	-177.1	-54.3	0	0	0	109.3	D297 S402 V406 I407 Y408	D297-N404 PolarHBondContact OD2-ND2 2.93Å; S402-N404 WeakPolarHBondContact OG-CB 3.21Å; S402-N404 PolarHBondContact OG-N 3.38Å; S402-N404 VanDerWaalsContact OG-N 3.08Å; N404-V406 PolarHBondContact O-N 3.12Å; N404-V406 WeakPolarHBondContact OD1-CA 3.44Å; N404-V406 VanDerWaalsContact OD1-CB 3.23Å; N404-V406 WeakPolarHBondContact OD1-CB 3.42Å; N404-V406 PolarHBondContact OD1-N 2.61Å; N404-I407 HydrophobicContact CB-CB 4.36Å; N404-I407 HydrophobicContact CB-CD1 3.87Å; N404-I407 HydrophobicContact CB-CG1 3.93Å; N404-I407 PolarHBondContact O-N 3.34Å; N404-I407 VanDerWaalsContact O-N 3.14Å; N404-I407 PolarHBondContact OD1-N 3.31Å; N404-Y408 PolarHBondContact O-N 2.72Å
405	P	96.2	Very high	98	Very high	71 Å²	71	29.8 Å²	29.8	46%	0.461	15%	0.145	S	C	.	.	H	α-helix	trans	-62.7	-28.6	-174.6	24.1	-34.7	0	0	0	112.9	Y403 K409	Y403-P405 WeakPolarHBondContact O-CD 3.33Å; P405-K409 WeakPolarHBondContact O-CB 3.43Å; P405-K409 PolarHBondContact O-N 3.24Å
406	V	97	Very high	98.1	Very high	47 Å²	47	31 Å²	31	29%	0.285	15%	0.153	S	C	.	.	H	α-helix	trans	-68.7	-47.7	177.3	179.4	0	0	0	0	110.2	L129 A133 N404 K409 A410	L129-V406 HydrophobicContact CD1-CG1 4.03Å; A133-V406 VanDerWaalsContact O-CG1 3.31Å; A133-V406 WeakPolarHBondContact O-CG1 3.21Å; N404-V406 PolarHBondContact O-N 3.12Å; N404-V406 WeakPolarHBondContact OD1-CA 3.44Å; N404-V406 VanDerWaalsContact OD1-CB 3.23Å; N404-V406 WeakPolarHBondContact OD1-CB 3.42Å; N404-V406 PolarHBondContact OD1-N 2.61Å; V406-K409 PolarHBondContact O-N 2.84Å; V406-A410 WeakPolarHBondContact O-CB 3.44Å; V406-A410 PolarHBondContact O-N 3.15Å
407	I	98.2	Very high	98.1	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-64.7	-46.1	178	-52.2	177.9	0	0	0	109.7	W106 I108 L129 V381 N404 K409 A410 F411	W106-I407 HydrophobicContact CD2-CD1 4.09Å; W106-I407 HydrophobicContact CE3-CD1 3.98Å; W106-I407 HydrophobicContact CE3-CG1 4.4Å; W106-I407 HydrophobicContact CH2-CD1 3.72Å; W106-I407 HydrophobicContact CH2-CG1 3.37Å; W106-I407 HydrophobicContact CZ2-CD1 3.77Å; W106-I407 HydrophobicContact CZ2-CG1 3.77Å; W106-I407 HydrophobicContact CZ3-CD1 3.8Å; W106-I407 HydrophobicContact CZ3-CG1 3.71Å; I108-I407 HydrophobicContact CD1-CD1 4.13Å; I108-I407 HydrophobicContact CD1-CG1 4.3Å; I108-I407 HydrophobicContact CD1-CG2 3.5Å; I108-I407 VanDerWaalsContact CD1-CG2 3.5Å; L129-I407 HydrophobicContact CD2-CG1 4.4Å; V381-I407 HydrophobicContact CB-CG2 4.5Å; V381-I407 HydrophobicContact CG1-CB 3.92Å; V381-I407 HydrophobicContact CG1-CG2 3.44Å; V381-I407 VanDerWaalsContact CG1-CG2 3.44Å; V381-I407 HydrophobicContact CG2-CG2 4.37Å; N404-I407 HydrophobicContact CB-CB 4.36Å; N404-I407 HydrophobicContact CB-CD1 3.87Å; N404-I407 HydrophobicContact CB-CG1 3.93Å; N404-I407 PolarHBondContact O-N 3.34Å; N404-I407 VanDerWaalsContact O-N 3.14Å; N404-I407 PolarHBondContact OD1-N 3.31Å; I407-K409 PolarHBondContact O-N 2.74Å; I407-A410 WeakPolarHBondContact O-CB 3.3Å; I407-A410 PolarHBondContact O-N 3.5Å; I407-F411 HydrophobicContact CG2-CD2 3.85Å; I407-F411 HydrophobicContact CG2-CE2 4.01Å; I407-F411 WeakPolarHBondContact O-CD2 3.45Å; I407-F411 PolarHBondContact O-N 3.24Å
408	Y	98.4	Very high	98.1	Very high	11 Å²	11	39.6 Å²	39.6	4%	0.043	19%	0.185	C	C	.	.	H	α-helix	trans	-55.1	-53.5	176.7	172.7	-103.1	0	0	0	111.4	V372 S373 A375 Y376 Q379 N404 A410 F411 R412	V372-Y408 HydrophobicContact CG2-CD2 3.51Å; V372-Y408 HydrophobicContact CG2-CE2 3.34Å; S373-Y408 PolarHBondContact O-OH 3.39Å; S373-Y408 WeakPolarHBondContact OG-CE2 3.37Å; A375-Y408 PolarHBondContact O-OH 2.77Å; Y376-Y408 WeakPolarHBondContact CA-OH 3.13Å; Y376-Y408 HydrophobicContact CD1-CE1 4.37Å; Y376-Y408 WeakPolarHBondContact CD1-OH 2.93Å; Q379-Y408 VanDerWaalsContact CA-CD2 3.42Å; Q379-Y408 HydrophobicContact CB-CD1 3.94Å; Q379-Y408 HydrophobicContact CB-CD2 4.27Å; Q379-Y408 HydrophobicContact CB-CE1 4.42Å; Q379-Y408 HydrophobicContact CB-CG 3.86Å; Q379-Y408 HydrophobicContact CG-CD1 3.8Å; Q379-Y408 HydrophobicContact CG-CE1 3.99Å; Q379-Y408 HydrophobicContact CG-CG 4.26Å; N404-Y408 PolarHBondContact O-N 2.72Å; Y408-A410 PolarHBondContact O-N 3.35Å; Y408-F411 PolarHBondContact O-N 2.66Å; Y408-R412 HydrophobicContact CE1-CB 4.1Å; Y408-R412 HydrophobicContact CE1-CG 4.2Å; Y408-R412 HydrophobicContact CE2-CB 4.13Å; Y408-R412 HydrophobicContact CE2-CG 4.39Å; Y408-R412 VanDerWaalsContact O-CB 3.22Å; Y408-R412 WeakPolarHBondContact O-CB 3.45Å; Y408-R412 PolarHBondContact O-N 3.23Å; Y408-R412 WeakPolarHBondContact OH-CD 3.42Å; Y408-R412 WeakPolarHBondContact OH-CG 3.34Å
409	K	97.6	Very high	98	Very high	120 Å²	120	42.4 Å²	42.4	52%	0.522	20%	0.198	S	C	.	.	H	α-helix	trans	-58.9	-36.9	180	-173.6	178.6	-174.1	176.8	0	112	P405 V406 I407 K413	P405-K409 WeakPolarHBondContact O-CB 3.43Å; P405-K409 PolarHBondContact O-N 3.24Å; V406-K409 PolarHBondContact O-N 2.84Å; I407-K409 PolarHBondContact O-N 2.74Å; K409-K413 HydrophobicContact CG-CD 4.42Å; K409-K413 WeakPolarHBondContact O-CB 3.34Å; K409-K413 VanDerWaalsContact O-CG 3.27Å; K409-K413 WeakPolarHBondContact O-CG 3.37Å; K409-K413 PolarHBondContact O-N 3.45Å
410	A	98.1	Very high	97.7	Very high	7 Å²	7	45.5 Å²	45.5	6%	0.058	22%	0.219	C	C	.	.	H	α-helix	trans	-66.3	-44.2	178.8	0	0	0	0	0	112.2	L129 W136 V406 I407 Y408	L129-A410 HydrophobicContact CD2-CB 3.75Å; W136-A410 HydrophobicContact CD2-CB 4.42Å; W136-A410 HydrophobicContact CG-CB 4.36Å; W136-A410 HydrophobicContact CZ2-CB 4.41Å; W136-A410 PolarHBondContact NE1-O 3.28Å; V406-A410 WeakPolarHBondContact O-CB 3.44Å; V406-A410 PolarHBondContact O-N 3.15Å; I407-A410 WeakPolarHBondContact O-CB 3.3Å; I407-A410 PolarHBondContact O-N 3.5Å; Y408-A410 PolarHBondContact O-N 3.35Å
411	F	98.6	Very high	97	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-80.9	-34.5	179.2	-83.9	-91.3	0	0	0	113.5	I108 Y110 W136 W370 V381 L383 I407 Y408 K413 A414	I108-F411 HydrophobicContact CD1-CE2 3.95Å; I108-F411 HydrophobicContact CG2-CE2 4.2Å; I108-F411 HydrophobicContact CG2-CZ 4.08Å; Y110-F411 HydrophobicContact CD2-CE1 4.4Å; Y110-F411 HydrophobicContact CE2-CE1 4.4Å; W136-F411 AromaticContact CH2-CE2 3.95Å; W136-F411 HydrophobicContact CH2-CE2 3.95Å; W136-F411 HydrophobicContact CH2-CZ 4.08Å; W136-F411 HydrophobicContact CZ2-CD2 4.01Å; W136-F411 HydrophobicContact CZ2-CE1 4.43Å; W136-F411 AromaticContact CZ2-CE2 3.56Å; W136-F411 HydrophobicContact CZ2-CE2 3.56Å; W136-F411 AromaticContact CZ2-CZ 3.8Å; W136-F411 HydrophobicContact CZ2-CZ 3.8Å; W370-F411 HydrophobicContact CB-CD1 4.19Å; W370-F411 HydrophobicContact CB-CE1 3.92Å; W370-F411 AromaticContact CD1-CE1 3.77Å; W370-F411 AromaticContact CD2-CD1 3.48Å; W370-F411 HydrophobicContact CD2-CD1 3.48Å; W370-F411 VanDerWaalsContact CD2-CD1 3.48Å; W370-F411 AromaticContact CD2-CE1 3.82Å; W370-F411 HydrophobicContact CD2-CE1 3.82Å; W370-F411 AromaticContact CE2-CD1 3.9Å; W370-F411 HydrophobicContact CE3-CB 4.5Å; W370-F411 AromaticContact CE3-CD1 3.67Å; W370-F411 HydrophobicContact CE3-CD1 3.67Å; W370-F411 HydrophobicContact CE3-CE1 4.43Å; W370-F411 AromaticContact CG-CD1 3.73Å; W370-F411 HydrophobicContact CG-CD1 3.73Å; W370-F411 AromaticContact CG-CE1 3.56Å; W370-F411 HydrophobicContact CG-CE1 3.56Å; W370-F411 HydrophobicContact CZ2-CD1 4.46Å; W370-F411 HydrophobicContact CZ3-CD1 4.24Å; V381-F411 HydrophobicContact CG2-CB 3.65Å; V381-F411 HydrophobicContact CG2-CD1 4.21Å; V381-F411 HydrophobicContact CG2-CD2 3.72Å; V381-F411 HydrophobicContact CG2-CE2 4.42Å; V381-F411 HydrophobicContact CG2-CG 3.59Å; L383-F411 HydrophobicContact CD1-CE2 4.46Å; L383-F411 HydrophobicContact CD1-CZ 4.38Å; L383-F411 HydrophobicContact CD2-CZ 3.9Å; L383-F411 HydrophobicContact CG-CZ 4.26Å; I407-F411 HydrophobicContact CG2-CD2 3.85Å; I407-F411 HydrophobicContact CG2-CE2 4.01Å; I407-F411 WeakPolarHBondContact O-CD2 3.45Å; I407-F411 PolarHBondContact O-N 3.24Å; Y408-F411 PolarHBondContact O-N 2.66Å; F411-K413 VanDerWaalsContact C-N 3.28Å; F411-K413 PolarHBondContact O-N 2.92Å; F411-A414 WeakPolarHBondContact O-CA 3.39Å; F411-A414 VanDerWaalsContact O-CB 3.24Å; F411-A414 WeakPolarHBondContact O-CB 3.41Å; F411-A414 PolarHBondContact O-N 2.95Å
412	R	98.1	Very high	96.9	Very high	39 Å²	39	52.6 Å²	52.6	15%	0.147	26%	0.264	C	S	.	.	H	α-helix	trans	-63.4	-36.6	177.3	-175.6	61.5	-175.1	82.3	-4	112	V372 Y376 Y408 A414	V372-R412 HydrophobicContact CG2-CB 4Å; Y376-R412 HydrophobicContact CD1-CG 4.15Å; Y376-R412 HydrophobicContact CE1-CG 3.7Å; Y376-R412 PolarHBondContact OH-NH2 3.06Å; Y376-R412 VanDerWaalsContact OH-NH2 3.13Å; Y408-R412 HydrophobicContact CE1-CB 4.1Å; Y408-R412 HydrophobicContact CE1-CG 4.2Å; Y408-R412 HydrophobicContact CE2-CB 4.13Å; Y408-R412 HydrophobicContact CE2-CG 4.39Å; Y408-R412 VanDerWaalsContact O-CB 3.22Å; Y408-R412 WeakPolarHBondContact O-CB 3.45Å; Y408-R412 PolarHBondContact O-N 3.23Å; Y408-R412 WeakPolarHBondContact OH-CD 3.42Å; Y408-R412 WeakPolarHBondContact OH-CG 3.34Å; R412-A414 PolarHBondContact O-N 3.26Å
413	K	97.5	Very high	96.8	Very high	144 Å²	144	55.2 Å²	55.2	63%	0.626	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-16.3	171	-74.3	-178	175.8	-166.1	0	113.4	V354 K409 F411 V415	V354-K413 WeakPolarHBondContact CG1-O 3.39Å; K409-K413 HydrophobicContact CG-CD 4.42Å; K409-K413 WeakPolarHBondContact O-CB 3.34Å; K409-K413 VanDerWaalsContact O-CG 3.27Å; K409-K413 WeakPolarHBondContact O-CG 3.37Å; K409-K413 PolarHBondContact O-N 3.45Å; F411-K413 VanDerWaalsContact C-N 3.28Å; F411-K413 PolarHBondContact O-N 2.92Å; K413-V415 VanDerWaalsContact C-N 3.33Å
414	A	98.4	Very high	96.8	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-16.6	179.6	0	0	0	0	0	113.1	T353 V354 L355 W370 F411 R412 D416	T353-A414 CarbonylContact C-O 3.56Å; T353-A414 VanDerWaalsContact CA-O 3.23Å; T353-A414 WeakPolarHBondContact CA-O 3.38Å; T353-A414 HydrophobicContact CG2-CB 4.12Å; T353-A414 WeakPolarHBondContact CG2-O 2.96Å; V354-A414 PolarHBondContact N-O 3.16Å; V354-A414 WeakPolarHBondContact O-CA 3.47Å; L355-A414 HydrophobicContact CD2-CB 3.95Å; W370-A414 HydrophobicContact CH2-CB 4.29Å; W370-A414 HydrophobicContact CZ2-CB 4.28Å; F411-A414 WeakPolarHBondContact O-CA 3.39Å; F411-A414 VanDerWaalsContact O-CB 3.24Å; F411-A414 WeakPolarHBondContact O-CB 3.41Å; F411-A414 PolarHBondContact O-N 2.95Å; R412-A414 PolarHBondContact O-N 3.26Å; A414-D416 PolarHBondContact O-N 2.98Å
415	V	98.6	Very high	96.8	Very high	18 Å²	18	54.6 Å²	54.6	11%	0.109	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	110	173.4	-177.3	0	0	0	0	109.6	L326 V350 W370 V372 K413 Y418	L326-V415 HydrophobicContact CB-CG2 4.39Å; L326-V415 HydrophobicContact CD1-CG1 4.16Å; L326-V415 HydrophobicContact CD1-CG2 4.1Å; V350-V415 HydrophobicContact CG1-CG1 4.47Å; V350-V415 HydrophobicContact CG2-CG1 4.15Å; V350-V415 HydrophobicContact CG2-CG2 4.09Å; W370-V415 HydrophobicContact CH2-CG2 3.71Å; W370-V415 HydrophobicContact CZ3-CG2 3.93Å; V372-V415 HydrophobicContact CG1-CG2 3.86Å; K413-V415 VanDerWaalsContact C-N 3.33Å; V415-Y418 HydrophobicContact CG1-CD1 3.79Å
416	D	98.4	Very high	96.8	Very high	48 Å²	48	53.6 Å²	53.6	26%	0.257	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-42.8	175.1	-168.1	86.1	0	0	0	111.7	R352 V354 R360 A414	R352-D416 HydrophobicContact CB-CB 4.32Å; R352-D416 HydrophobicContact CG-CB 4.25Å; R352-D416 IonicContact CZ-OD2 3.09Å; R352-D416 IonicContact NE-OD2 2.76Å; R352-D416 PolarHBondContact NE-OD2 3.27Å; R352-D416 IonicContact NH2-OD2 2.65Å; R352-D416 PolarHBondContact NH2-OD2 3.17Å; R352-D416 WeakPolarHBondContact O-CB 3.3Å; R352-D416 PolarHBondContact O-N 3.18Å; V354-D416 HydrophobicContact CB-CB 3.8Å; V354-D416 HydrophobicContact CG1-CB 3.71Å; R360-D416 IonicContact CZ-OD1 3.62Å; R360-D416 IonicContact NE-OD1 3.66Å; R360-D416 PolarHBondContact NE-OD1 3.18Å; R360-D416 IonicContact NE-OD2 3.67Å; R360-D416 IonicContact NH2-OD1 2.75Å; A414-D416 PolarHBondContact O-N 2.98Å
417	W	98.3	Very high	96.8	Very high	119 Å²	119	54.1 Å²	54.1	45%	0.451	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	142.6	176	179.9	65.6	0	0	0	111.5	K351 R352 I419	K351-W417 HydrophobicContact CB-CD2 4.2Å; K351-W417 HydrophobicContact CB-CE3 3.19Å; K351-W417 HydrophobicContact CB-CH2 4.09Å; K351-W417 HydrophobicContact CB-CZ3 3.12Å; K351-W417 HydrophobicContact CD-CZ3 4.49Å; K351-W417 HydrophobicContact CG-CE3 3.97Å; K351-W417 HydrophobicContact CG-CH2 3.94Å; K351-W417 HydrophobicContact CG-CZ3 3.44Å; K351-W417 VanDerWaalsContact CG-CZ3 3.44Å; K351-W417 PolarHBondContact N-O 2Å; R352-W417 HydrophobicContact CB-CB 4.01Å; R352-W417 PolarHBondContact N-O 2.96Å; R352-W417 PolarHBondContact O-N 3.23Å; R352-W417 VanDerWaalsContact O-N 3.17Å; W417-I419 HydrophobicContact CH2-CD1 4.25Å; W417-I419 HydrophobicContact CH2-CG1 3.78Å; W417-I419 HydrophobicContact CZ2-CG1 3.93Å
418	Y	98.1	Very high	96.7	Very high	63 Å²	63	57.9 Å²	57.9	25%	0.247	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	157	177.6	67.8	-88.1	0	0	0	110.7	L326 M348 N349 Q374 V415	L326-Y418 HydrophobicContact CD1-CD1 4.43Å; L326-Y418 HydrophobicContact CD1-CE1 4.31Å; L326-Y418 HydrophobicContact CD2-CD1 4.2Å; L326-Y418 HydrophobicContact CD2-CD2 3.76Å; L326-Y418 HydrophobicContact CD2-CE1 4.18Å; L326-Y418 HydrophobicContact CD2-CE2 3.72Å; L326-Y418 HydrophobicContact CD2-CG 3.99Å; M348-Y418 HydrophobicContact CB-CD2 3.9Å; M348-Y418 HydrophobicContact CB-CE2 4.38Å; M348-Y418 HydrophobicContact CG-CD2 4.47Å; N349-Y418 CarbonylContact O-C 3.54Å; N349-Y418 WeakPolarHBondContact O-CA 3.47Å; N349-Y418 VanDerWaalsContact O-CB 3.26Å; N349-Y418 WeakPolarHBondContact O-CB 3.4Å; Q374-Y418 PolarHBondContact NE2-OH 3.43Å; V415-Y418 HydrophobicContact CG1-CD1 3.79Å
419	I	96.6	Very high	96.6	Very high	68 Å²	68	61.5 Å²	61.5	35%	0.349	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	111.1	172.5	-64	-179.9	0	0	0	107.7	S339 M348 N349 K351 W417	S339-I419 PolarHBondContact OG-O 3.46Å; M348-I419 WeakPolarHBondContact CB-O 2.96Å; N349-I419 PolarHBondContact O-N 2.9Å; K351-I419 HydrophobicContact CD-CD1 4.21Å; K351-I419 HydrophobicContact CG-CD1 3.91Å; K351-I419 HydrophobicContact CG-CG1 3.78Å; W417-I419 HydrophobicContact CH2-CD1 4.25Å; W417-I419 HydrophobicContact CH2-CG1 3.78Å; W417-I419 HydrophobicContact CZ2-CG1 3.93Å
420	S	92.8	Very high	96.5	Very high	67 Å²	67	56.6 Å²	56.6	47%	0.469	29%	0.286	S	S	.	.			trans	-69.5	172.9	174.4	66.8	0	0	0	0	111.6
421	C	85.1	Confident	96.4	Very high	106 Å²	106	61.1 Å²	61.1	72%	0.716	31%	0.306	S	S	*	.			trans	-62.9	0	145	-39.6	0	0	0	0	108.1	C341	C341-C421 HydrophobicContact CB-CB 3.76Å; C341-C421 WeakPolarHBondContact CB-SG 2.95Å; C341-C421 VanDerWaalsContact SG-CA 3.55Å; C341-C421 WeakPolarHBondContact SG-CB 2.99Å; C341-C421 CovalentContact SG-SG 2Å; C341-C421 PolarHBondContact SG-SG 3.44Å

Retrieved 421 of 421 residues in 490.9 ms (Link to these results)

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