A0A087Y116_POEFO Loading...

Neuferricin

Heme-binding protein which promotes neuronal but not astrocyte differentiation.

AlphaFold DB , UniProt , Accession A0A087Y116, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 252 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	42.9	Very low	38.1	Very low	244 Å²	244	149.8 Å²	149.8	100%	1.202	84%	0.838	S	S	*	*				0	112.9	0	-64.1	-164.7	-161.8	0	0	107.7
2	L	37.1	Very low	38.8	Very low	173 Å²	173	148.3 Å²	148.3	91%	0.906	83%	0.834	S	S	*	*			trans	-57.6	143.2	170.3	-131.1	68.6	0	0	0	109.2
3	R	38.4	Very low	38.9	Very low	216 Å²	216	150.2 Å²	150.2	82%	0.815	84%	0.84	S	S	*	*			trans	-179.7	110.1	137	-95	-173.2	174.4	-173.8	-3.6	112.3
4	Y	38.4	Very low	39.2	Very low	200 Å²	200	148.6 Å²	148.6	78%	0.784	84%	0.835	S	S	*	*			trans	56.1	115	149	-51.6	-71.5	0	0	0	119.4
5	A	37.5	Very low	38.8	Very low	84 Å²	84	143.9 Å²	143.9	69%	0.694	82%	0.823	S	S	*	*			cis	78	128.4	47	0	0	0	0	0	115.5
6	L	38.8	Very low	39.2	Very low	184 Å²	184	144.2 Å²	144.2	96%	0.963	83%	0.828	S	S	*	*			trans	89.9	127.1	163.8	-59.3	150.7	0	0	0	116.3
7	G	32.7	Very low	39	Very low	69 Å²	69	143.2 Å²	143.2	71%	0.711	82%	0.818	S	S	*	*			cis	-162.8	144	8.2	0	0	0	0	0	112.2
8	A	40	Very low	38.6	Very low	92 Å²	92	145.7 Å²	145.7	76%	0.76	82%	0.819	S	S	*	*				84.1	103.3	113.6	0	0	0	0	0	115.5
9	C	37.8	Very low	38.6	Very low	115 Å²	115	148.7 Å²	148.7	78%	0.777	82%	0.822	S	S	*	*				81.8	115.1	108	-65.4	0	0	0	0	111.9
10	L	34.5	Very low	39.2	Very low	166 Å²	166	146.9 Å²	146.9	87%	0.869	82%	0.817	S	S	*	*				177.8	153.9	64.3	-90.3	112.8	0	0	0	103.3
11	S	41.5	Very low	39.3	Very low	105 Å²	105	145.4 Å²	145.4	73%	0.734	82%	0.815	S	S	*	*			cis	-168.2	141.5	19.9	37.7	0	0	0	0	106.7
12	V	45.7	Very low	39.8	Very low	131 Å²	131	141.1 Å²	141.1	79%	0.794	80%	0.797	S	S	*	*			trans	-108	122.8	160.4	174.4	0	0	0	0	106	V14	V12-V14 HydrophobicContact CG1-CG2 4.46Å
13	L	40.2	Very low	39.7	Very low	174 Å²	174	144.2 Å²	144.2	91%	0.911	80%	0.796	S	S	*	*			trans	-136.1	112.4	157.9	-87.5	172.8	0	0	0	109.8
14	V	43	Very low	40.1	Very low	127 Å²	127	139.4 Å²	139.4	77%	0.77	80%	0.796	S	S	*	*			trans	-73.3	138.9	162.7	170	0	0	0	0	108.3	V12	V12-V14 HydrophobicContact CG1-CG2 4.46Å
15	A	33.1	Very low	39.9	Very low	79 Å²	79	131.2 Å²	131.2	65%	0.653	77%	0.772	S	S	*	*			trans	-179.3	103.3	135.2	0	0	0	0	0	111.6	L17	A15-L17 HydrophobicContact CB-CG 4.5Å; A15-L17 PolarHBondContact O-N 3.44Å
16	V	45.1	Very low	39.7	Very low	148 Å²	148	130.7 Å²	130.7	90%	0.897	78%	0.775	S	S	*	*			trans	-69.3	110.5	146	172.1	0	0	0	0	106.3
17	L	35.6	Very low	39.6	Very low	128 Å²	128	134.3 Å²	134.3	67%	0.67	78%	0.776	S	S	*	*			trans	-145.8	129.5	162.2	-72.2	178.1	0	0	0	109.5	A15	A15-L17 HydrophobicContact CB-CG 4.5Å; A15-L17 PolarHBondContact O-N 3.44Å
18	F	33.2	Very low	39.9	Very low	188 Å²	188	134.5 Å²	134.5	83%	0.825	78%	0.778	S	S	*	*			trans	90.1	89	162.5	-52.1	-71.4	0	0	0	119.5
19	F	38.3	Very low	39.8	Very low	203 Å²	203	133.4 Å²	133.4	89%	0.89	78%	0.776	S	S	*	*				-103	157.6	127.8	-79.4	-86.3	0	0	0	107.2
20	P	51	Low	39.9	Very low	111 Å²	111	136.7 Å²	136.7	72%	0.721	78%	0.78	S	S	*	*			cis	-132.5	-165.8	-23.3	39.2	-18.1	0	0	0	110.5
21	P	40.3	Very low	40.4	Very low	117 Å²	117	134 Å²	134	76%	0.76	78%	0.775	S	S	*	*				-143	161.5	77.1	34.4	-14.7	0	0	0	115	W23	P21-W23 PolarHBondContact O-N 3.29Å
22	D	52.7	Low	40.4	Very low	154 Å²	154	137.1 Å²	137.1	82%	0.824	78%	0.778	S	S	*	*			trans	-18.6	115.3	156.7	-99.8	-44.4	0	0	0	114.5
23	W	36.9	Very low	39.9	Very low	238 Å²	238	140.7 Å²	140.7	90%	0.902	78%	0.783	S	S	*	*			trans	-107.5	84.1	158.8	-159.8	-59.5	0	0	0	107.4	P21 G25	P21-W23 PolarHBondContact O-N 3.29Å; W23-G25 VanDerWaalsContact NE1-CA 3.33Å; W23-G25 PolarHBondContact O-N 3.04Å
24	S	46	Very low	40.4	Very low	114 Å²	114	138.5 Å²	138.5	80%	0.797	78%	0.776	S	S	*	*			trans	-65.6	79	153.9	22.2	0	0	0	0	107.6	G26	S24-G26 PolarHBondContact O-N 2.89Å
25	G	33.7	Very low	40.9	Very low	29 Å²	29	136 Å²	136	30%	0.299	77%	0.769	S	S	.	*			trans	-96.7	92.6	-179	0	0	0	0	0	107.3	W23 W27	W23-G25 VanDerWaalsContact NE1-CA 3.33Å; W23-G25 PolarHBondContact O-N 3.04Å; G25-W27 PolarHBondContact O-N 2.8Å
26	G	33.9	Very low	42.3	Very low	73 Å²	73	138.4 Å²	138.4	75%	0.753	78%	0.778	S	S	*	*			trans	-45.9	119.1	165.6	0	0	0	0	0	108.5	S24 G28	S24-G26 PolarHBondContact O-N 2.89Å; G26-G28 PolarHBondContact O-N 3Å
27	W	36.7	Very low	43.8	Very low	259 Å²	259	133.4 Å²	133.4	98%	0.981	75%	0.752	S	S	*	*			trans	-70	69.4	160.5	-71.8	12.2	0	0	0	107	G25 G29	G25-W27 PolarHBondContact O-N 2.8Å; W27-G29 PolarHBondContact O-N 2.94Å
28	G	38.6	Very low	46.6	Very low	73 Å²	73	132.1 Å²	132.1	75%	0.753	74%	0.738	S	S	*	*			trans	-70.8	79.8	153	0	0	0	0	0	105.9	G26 E30	G26-G28 PolarHBondContact O-N 3Å; G28-E30 VanDerWaalsContact C-N 3.32Å; G28-E30 PolarHBondContact O-N 2.94Å
29	G	38.8	Very low	49.7	Very low	69 Å²	69	126.2 Å²	126.2	71%	0.711	72%	0.715	S	S	*	*			trans	-59.4	103.2	165.4	0	0	0	0	0	106.7	W27 S31	W27-G29 PolarHBondContact O-N 2.94Å; G29-S31 PolarHBondContact O-N 2.78Å
30	E	38.2	Very low	52.5	Low	185 Å²	185	116.6 Å²	116.6	86%	0.864	67%	0.673	S	S	*	*			trans	-54.1	109	167.7	-163.8	149.9	123.7	0	0	106.2	G28 Q32	G28-E30 VanDerWaalsContact C-N 3.32Å; G28-E30 PolarHBondContact O-N 2.94Å; E30-Q32 VanDerWaalsContact C-N 3.25Å; E30-Q32 PolarHBondContact O-N 2.77Å
31	S	45.4	Very low	54.8	Low	109 Å²	109	113.1 Å²	113.1	76%	0.762	65%	0.651	S	S	*	*			trans	-61	96.6	174.7	-177.5	0	0	0	0	106	G29 K33	G29-S31 PolarHBondContact O-N 2.78Å; S31-K33 PolarHBondContact O-N 2.91Å
32	Q	41.5	Very low	57.5	Low	171 Å²	171	114 Å²	114	80%	0.799	64%	0.639	S	S	*	*			trans	-53	111.9	167.9	-84.2	-170.2	-31.9	0	0	105.6	E30 V34	E30-Q32 VanDerWaalsContact C-N 3.25Å; E30-Q32 PolarHBondContact O-N 2.77Å; Q32-V34 PolarHBondContact O-N 3.05Å
33	K	35.8	Very low	59.6	Low	206 Å²	206	110.4 Å²	110.4	90%	0.896	63%	0.626	S	S	*	*			trans	-61.7	92.7	169.6	-81.6	-177	174.5	177.9	0	106.7	S31 A35	S31-K33 PolarHBondContact O-N 2.91Å; K33-A35 PolarHBondContact O-N 3.31Å
34	V	50.1	Low	62.5	Low	127 Å²	127	102.1 Å²	102.1	77%	0.77	60%	0.599	S	S	*	*			trans	-58.2	112.4	167.4	-176.3	0	0	0	0	104.9	Q32	Q32-V34 PolarHBondContact O-N 3.05Å
35	A	54.5	Low	65	Low	75 Å²	75	96.8 Å²	96.8	62%	0.62	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-53.1	138.8	171	0	0	0	0	0	107.5	K33 A37	K33-A35 PolarHBondContact O-N 3.31Å; A35-A37 PolarHBondContact O-N 3.11Å; A35-A37 VanDerWaalsContact O-N 3.11Å
36	P	61.6	Low	68.1	Low	129 Å²	129	98.1 Å²	98.1	84%	0.838	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-52.7	126.2	-178.6	20.9	-31.1	0	0	0	108.9	R38	P36-R38 PolarHBondContact O-N 2.67Å
37	A	76.8	Confident	71.1	Confident	43 Å²	43	97.9 Å²	97.9	36%	0.355	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-56.4	131.6	-177.5	0	0	0	0	0	109	A35 L39 L134	A35-A37 PolarHBondContact O-N 3.11Å; A35-A37 VanDerWaalsContact O-N 3.11Å; A37-L39 PolarHBondContact O-N 3.43Å; A37-L134 HydrophobicContact CB-CD1 4.12Å; A37-L134 HydrophobicContact CB-CG 4.03Å
38	R	94.5	Very high	74	Confident	102 Å²	102	86.2 Å²	86.2	39%	0.385	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	123.9	177.3	179.9	-178.2	172.3	-169.1	-5.6	108.8	P36 L40 Y48 V132 G133 L134	P36-R38 PolarHBondContact O-N 2.67Å; R38-L40 HydrophobicContact CG-CD1 4.07Å; R38-L40 HydrophobicContact CG-CG 4.35Å; R38-Y48 PolarHBondContact NH1-OH 3.37Å; R38-Y48 PolarHBondContact NH2-OH 2.93Å; R38-V132 WeakPolarHBondContact CB-O 3.28Å; R38-G133 CarbonylContact O-C 3.39Å; R38-G133 WeakPolarHBondContact O-CA 3.4Å; R38-L134 PolarHBondContact O-N 3.1Å
39	L	97.6	Very high	76.9	Confident	64 Å²	64	85.1 Å²	85.1	34%	0.335	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	129.1	175.6	-57.6	-176.7	0	0	0	109.5	A37 L134 V136 E142	A37-L39 PolarHBondContact O-N 3.43Å; L39-L134 HydrophobicContact CD2-CB 3.9Å; L39-L134 HydrophobicContact CD2-CD1 4.16Å; L39-L134 HydrophobicContact CD2-CG 4.46Å; L39-V136 HydrophobicContact CB-CG2 3.81Å; L39-V136 HydrophobicContact CD1-CG2 4.48Å; L39-E142 WeakPolarHBondContact CD1-O 3.32Å
40	L	98	Very high	79.6	Confident	1 Å²	1	82.7 Å²	82.7	1%	0.005	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	133.5	178.3	-64.1	108.2	0	0	0	109.7	R38 D44 Y48 V65 L134 V135 V136	R38-L40 HydrophobicContact CG-CD1 4.07Å; R38-L40 HydrophobicContact CG-CG 4.35Å; L40-D44 HydrophobicContact CB-CB 4.15Å; L40-D44 HydrophobicContact CD2-CB 4.17Å; L40-Y48 HydrophobicContact CD2-CD2 4.39Å; L40-Y48 HydrophobicContact CD2-CE2 3.94Å; L40-V65 HydrophobicContact CD1-CB 4.42Å; L40-V65 HydrophobicContact CD1-CG1 4.39Å; L40-V65 HydrophobicContact CD1-CG2 4.03Å; L40-L134 PolarHBondContact N-O 2.8Å; L40-V135 CarbonylContact O-C 3.56Å; L40-V135 VanDerWaalsContact O-CA 3.29Å; L40-V135 WeakPolarHBondContact O-CA 3.4Å; L40-V136 PolarHBondContact O-N 3.47Å
41	S	98.2	Very high	82.4	Confident	37 Å²	37	78.3 Å²	78.3	26%	0.259	44%	0.435	S	S	.	.			trans	-69.6	163.9	162.9	67.8	0	0	0	0	110.2	S43 D44 L45	S41-S43 PolarHBondContact O-N 3.44Å; S41-S43 PolarHBondContact OG-OG 2.82Å; S41-D44 WeakPolarHBondContact CB-OD2 3.18Å; S41-D44 PolarHBondContact N-OD2 3.24Å; S41-D44 VanDerWaalsContact N-OD2 3.16Å; S41-D44 PolarHBondContact O-N 2.93Å; S41-D44 PolarHBondContact OG-N 2.93Å; S41-D44 PolarHBondContact OG-OD2 3.44Å; S41-L45 PolarHBondContact O-N 3.13Å
42	R	97.4	Very high	84.8	Confident	136 Å²	136	83.2 Å²	83.2	51%	0.513	44%	0.443	S	S	.	.	H	α-helix	trans	-54.8	-40.2	170.7	-73.5	-173.6	-124.7	-119.2	-6.9	112.4	D44 L45 S46 D105 V135	R42-D44 VanDerWaalsContact C-N 3.33Å; R42-L45 PolarHBondContact O-N 3.1Å; R42-S46 PolarHBondContact O-N 2.99Å; R42-D105 IonicContact CZ-OD2 3.46Å; R42-D105 IonicContact NH1-OD1 3.45Å; R42-D105 PolarHBondContact NH1-OD1 2.81Å; R42-D105 IonicContact NH1-OD2 2.72Å; R42-D105 PolarHBondContact NH1-OD2 3.16Å; R42-D105 IonicContact NH2-OD2 3.73Å; R42-V135 HydrophobicContact CG-CG1 4.1Å
43	S	97.8	Very high	87.2	Confident	79 Å²	79	78.9 Å²	78.9	55%	0.552	44%	0.444	S	S	*	.	H	α-helix	trans	-67.5	-30.9	175.9	41	0	0	0	0	113.4	S41 S46	S41-S43 PolarHBondContact O-N 3.44Å; S41-S43 PolarHBondContact OG-OG 2.82Å; S43-S46 PolarHBondContact O-OG 2.79Å
44	D	97.8	Very high	90.1	Very high	63 Å²	63	70.6 Å²	70.6	34%	0.337	41%	0.412	S	S	.	.	H	α-helix	trans	-73.1	-41.3	173.7	-67	-51.2	0	0	0	111.1	L40 S41 R42 S46 L47 Y48	L40-D44 HydrophobicContact CB-CB 4.15Å; L40-D44 HydrophobicContact CD2-CB 4.17Å; S41-D44 WeakPolarHBondContact CB-OD2 3.18Å; S41-D44 PolarHBondContact N-OD2 3.24Å; S41-D44 VanDerWaalsContact N-OD2 3.16Å; S41-D44 PolarHBondContact O-N 2.93Å; S41-D44 PolarHBondContact OG-N 2.93Å; S41-D44 PolarHBondContact OG-OD2 3.44Å; R42-D44 VanDerWaalsContact C-N 3.33Å; D44-S46 VanDerWaalsContact C-N 3.3Å; D44-S46 PolarHBondContact O-N 3.06Å; D44-L47 WeakPolarHBondContact O-CB 3.43Å; D44-L47 PolarHBondContact O-N 2.95Å; D44-Y48 VanDerWaalsContact O-CD2 3.24Å; D44-Y48 WeakPolarHBondContact O-CD2 3.29Å; D44-Y48 WeakPolarHBondContact O-CE2 3.44Å
45	L	98.3	Very high	92.3	Very high	2 Å²	2	72.1 Å²	72.1	1%	0.01	40%	0.404	C	S	.	.	H	α-helix	trans	-61.7	-38.8	177.7	-176.9	64.2	0	0	0	111.4	S41 R42 L47 Y48 A60 V65 G86 V135	S41-L45 PolarHBondContact O-N 3.13Å; R42-L45 PolarHBondContact O-N 3.1Å; L45-L47 PolarHBondContact O-N 2.84Å; L45-Y48 WeakPolarHBondContact O-CB 3.42Å; L45-Y48 PolarHBondContact O-N 3.02Å; L45-A60 HydrophobicContact CD2-CB 3.85Å; L45-V65 HydrophobicContact CD1-CG1 3.69Å; L45-V65 HydrophobicContact CD1-CG2 4.34Å; L45-G86 CarbonylContact C-O 3.56Å; L45-G86 WeakPolarHBondContact O-CA 3.38Å; L45-V135 HydrophobicContact CD2-CG2 3.78Å
46	S	97.8	Very high	94.3	Very high	58 Å²	58	69.7 Å²	69.7	41%	0.406	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-11.5	179.2	72	0	0	0	0	114.2	R42 S43 D44 Y48 G86	R42-S46 PolarHBondContact O-N 2.99Å; S43-S46 PolarHBondContact O-OG 2.79Å; D44-S46 VanDerWaalsContact C-N 3.3Å; D44-S46 PolarHBondContact O-N 3.06Å; S46-Y48 PolarHBondContact O-N 2.72Å; S46-G86 VanDerWaalsContact CA-O 3.23Å; S46-G86 WeakPolarHBondContact CA-O 3.3Å; S46-G86 PolarHBondContact N-O 3.32Å
47	L	98.3	Very high	96	Very high	67 Å²	67	63.7 Å²	63.7	35%	0.351	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	2.7	173	-55.3	175.5	0	0	0	113.3	D44 L45 S54 R55	D44-L47 WeakPolarHBondContact O-CB 3.43Å; D44-L47 PolarHBondContact O-N 2.95Å; L45-L47 PolarHBondContact O-N 2.84Å; L47-S54 PolarHBondContact O-OG 3.46Å; L47-R55 HydrophobicContact CB-CG 4.25Å; L47-R55 VanDerWaalsContact CD1-CZ 3.47Å; L47-R55 WeakPolarHBondContact O-CB 3.39Å; L47-R55 PolarHBondContact O-N 3.03Å
48	Y	98.3	Very high	97.1	Very high	14 Å²	14	62.9 Å²	62.9	6%	0.055	34%	0.335	C	S	.	.			trans	-118.2	39.2	-177.7	-65.7	-93.5	0	0	0	111.9	R38 L40 D44 L45 S46 G50 S54 R55 G56 L57 Y58 G86	R38-Y48 PolarHBondContact NH1-OH 3.37Å; R38-Y48 PolarHBondContact NH2-OH 2.93Å; L40-Y48 HydrophobicContact CD2-CD2 4.39Å; L40-Y48 HydrophobicContact CD2-CE2 3.94Å; D44-Y48 VanDerWaalsContact O-CD2 3.24Å; D44-Y48 WeakPolarHBondContact O-CD2 3.29Å; D44-Y48 WeakPolarHBondContact O-CE2 3.44Å; L45-Y48 WeakPolarHBondContact O-CB 3.42Å; L45-Y48 PolarHBondContact O-N 3.02Å; S46-Y48 PolarHBondContact O-N 2.72Å; Y48-G50 VanDerWaalsContact C-N 3.34Å; Y48-S54 WeakPolarHBondContact CA-OG 3.01Å; Y48-R55 HydrophobicContact CD1-CB 3.9Å; Y48-R55 HydrophobicContact CD2-CB 4.48Å; Y48-R55 HydrophobicContact CE1-CB 3.47Å; Y48-R55 VanDerWaalsContact CE1-CB 3.47Å; Y48-R55 WeakPolarHBondContact CE1-O 3.43Å; Y48-R55 HydrophobicContact CE2-CB 4.13Å; Y48-R55 HydrophobicContact CG-CB 4.36Å; Y48-G56 CarbonylContact C-O 3.53Å; Y48-G56 VanDerWaalsContact C-O 3.22Å; Y48-G56 WeakPolarHBondContact CA-O 3.29Å; Y48-L57 CarbonylContact O-C 3.54Å; Y48-L57 WeakPolarHBondContact O-CA 3.29Å; Y48-Y58 AromaticContact CD1-CD1 4Å; Y48-Y58 HydrophobicContact CD1-CD1 4Å; Y48-Y58 AromaticContact CD1-CD2 3.31Å; Y48-Y58 HydrophobicContact CD1-CD2 3.31Å; Y48-Y58 AromaticContact CD1-CE1 3.95Å; Y48-Y58 HydrophobicContact CD1-CE1 3.95Å; Y48-Y58 AromaticContact CD1-CE2 3.26Å; Y48-Y58 HydrophobicContact CD1-CE2 3.26Å; Y48-Y58 AromaticContact CD1-CG 3.7Å; Y48-Y58 HydrophobicContact CD1-CG 3.7Å; Y48-Y58 AromaticContact CD1-CZ 3.6Å; Y48-Y58 AromaticContact CD2-CD2 3.9Å; Y48-Y58 HydrophobicContact CD2-CD2 3.9Å; Y48-Y58 HydrophobicContact CD2-CE2 4.25Å; Y48-Y58 AromaticContact CE1-CD2 3.81Å; Y48-Y58 HydrophobicContact CE1-CD2 3.81Å; Y48-Y58 HydrophobicContact CE1-CE1 4.33Å; Y48-Y58 AromaticContact CE1-CE2 3.27Å; Y48-Y58 HydrophobicContact CE1-CE2 3.27Å; Y48-Y58 AromaticContact CE1-CZ 3.58Å; Y48-Y58 HydrophobicContact CE2-CD2 4.33Å; Y48-Y58 HydrophobicContact CE2-CE2 4.26Å; Y48-Y58 HydrophobicContact CG-CD1 4.49Å; Y48-Y58 AromaticContact CG-CD2 3.39Å; Y48-Y58 HydrophobicContact CG-CD2 3.39Å; Y48-Y58 AromaticContact CG-CE2 3.81Å; Y48-Y58 HydrophobicContact CG-CE2 3.81Å; Y48-Y58 AromaticContact CG-CG 3.79Å; Y48-Y58 HydrophobicContact CG-CG 3.79Å; Y48-Y58 AromaticContact CZ-CE2 3.81Å; Y48-Y58 PolarHBondContact O-N 3.14Å; Y48-G86 PolarHBondContact O-N 2.8Å
49	D	97.7	Very high	97.3	Very high	51 Å²	51	58.1 Å²	58.1	27%	0.273	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-77.3	-11.4	177.4	60.8	2.6	0	0	0	114.5	E51 S54 L57 H82 A85	D49-E51 VanDerWaalsContact C-N 3.31Å; D49-E51 PolarHBondContact O-N 3.45Å; D49-E51 PolarHBondContact OD1-N 3.28Å; D49-E51 VanDerWaalsContact OD1-N 3.12Å; D49-S54 PolarHBondContact N-OG 3.16Å; D49-S54 VanDerWaalsContact N-OG 3.08Å; D49-S54 WeakPolarHBondContact OD1-CB 3.24Å; D49-S54 PolarHBondContact OD1-OG 2.64Å; D49-L57 WeakPolarHBondContact O-CD1 3.43Å; D49-H82 PolarHBondContact O-CE1 3.21Å; D49-A85 HydrophobicContact CB-CB 4.49Å; D49-A85 WeakPolarHBondContact O-CB 3.21Å
50	G	97.1	Very high	97.3	Very high	18 Å²	18	55 Å²	55	19%	0.186	30%	0.301	C	S	.	.			trans	78.9	2.5	-177	0	0	0	0	0	115.8	Y48 S54 G56 P77	Y48-G50 VanDerWaalsContact C-N 3.34Å; G50-S54 PolarHBondContact N-OG 3.01Å; G50-G56 WeakPolarHBondContact CA-O 3.5Å; G50-G56 PolarHBondContact N-O 2.84Å; G50-P77 VanDerWaalsContact O-CD 3.28Å; G50-P77 WeakPolarHBondContact O-CD 3.42Å; G50-P77 VanDerWaalsContact O-CG 3.23Å; G50-P77 WeakPolarHBondContact O-CG 3.38Å
51	E	96.7	Very high	97.3	Very high	92 Å²	92	55 Å²	55	43%	0.43	30%	0.301	S	S	.	.	S	Bend	trans	-70.5	173.1	174.8	-79.7	-71.5	178.8	0	0	112.7	D49 G53 S54 P77 H82	D49-E51 VanDerWaalsContact C-N 3.31Å; D49-E51 PolarHBondContact O-N 3.45Å; D49-E51 PolarHBondContact OD1-N 3.28Å; D49-E51 VanDerWaalsContact OD1-N 3.12Å; E51-G53 PolarHBondContact O-N 2.94Å; E51-G53 VanDerWaalsContact O-N 3.09Å; E51-S54 WeakPolarHBondContact O-CB 3.38Å; E51-S54 PolarHBondContact O-N 2.82Å; E51-P77 HydrophobicContact CG-CG 4.22Å; E51-H82 IonicContact OE1-NE2 3.29Å; E51-H82 PolarHBondContact OE1-NE2 3.25Å
52	K	94.3	Very high	97.4	Very high	212 Å²	212	53.3 Å²	53.3	92%	0.922	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	117.6	176.3	-176.3	179.4	175.1	-178.9	0	110.8
53	G	93.1	Very high	97.4	Very high	80 Å²	80	46.9 Å²	46.9	83%	0.825	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.5	0.1	-177.2	0	0	0	0	0	113.9	E51	E51-G53 PolarHBondContact O-N 2.94Å; E51-G53 VanDerWaalsContact O-N 3.09Å
54	S	95.4	Very high	97.4	Very high	32 Å²	32	44.7 Å²	44.7	22%	0.224	25%	0.246	C	C	.	.			trans	-63.7	151.4	171.9	-159	0	0	0	0	112.2	L47 Y48 D49 G50 E51 G56	L47-S54 PolarHBondContact O-OG 3.46Å; Y48-S54 WeakPolarHBondContact CA-OG 3.01Å; D49-S54 PolarHBondContact N-OG 3.16Å; D49-S54 VanDerWaalsContact N-OG 3.08Å; D49-S54 WeakPolarHBondContact OD1-CB 3.24Å; D49-S54 PolarHBondContact OD1-OG 2.64Å; G50-S54 PolarHBondContact N-OG 3.01Å; E51-S54 WeakPolarHBondContact O-CB 3.38Å; E51-S54 PolarHBondContact O-N 2.82Å; S54-G56 VanDerWaalsContact C-N 3.27Å; S54-G56 PolarHBondContact O-N 3.29Å; S54-G56 PolarHBondContact OG-O 3.27Å
55	R	96.3	Very high	97.5	Very high	159 Å²	159	41.7 Å²	41.7	60%	0.6	23%	0.23	S	C	*	.	S	Bend	trans	-81.2	-8	178.9	-64.7	-174.1	177.9	177.5	2.4	113.3	L47 Y48	L47-R55 HydrophobicContact CB-CG 4.25Å; L47-R55 VanDerWaalsContact CD1-CZ 3.47Å; L47-R55 WeakPolarHBondContact O-CB 3.39Å; L47-R55 PolarHBondContact O-N 3.03Å; Y48-R55 HydrophobicContact CD1-CB 3.9Å; Y48-R55 HydrophobicContact CD2-CB 4.48Å; Y48-R55 HydrophobicContact CE1-CB 3.47Å; Y48-R55 VanDerWaalsContact CE1-CB 3.47Å; Y48-R55 WeakPolarHBondContact CE1-O 3.43Å; Y48-R55 HydrophobicContact CE2-CB 4.13Å; Y48-R55 HydrophobicContact CG-CB 4.36Å
56	G	97.1	Very high	97.5	Very high	25 Å²	25	41.6 Å²	41.6	26%	0.258	23%	0.229	S	C	.	.			trans	160.4	-161.1	-179	0	0	0	0	0	109.9	Y48 G50 S54	Y48-G56 CarbonylContact C-O 3.53Å; Y48-G56 VanDerWaalsContact C-O 3.22Å; Y48-G56 WeakPolarHBondContact CA-O 3.29Å; G50-G56 WeakPolarHBondContact CA-O 3.5Å; G50-G56 PolarHBondContact N-O 2.84Å; S54-G56 VanDerWaalsContact C-N 3.27Å; S54-G56 PolarHBondContact O-N 3.29Å; S54-G56 PolarHBondContact OG-O 3.27Å
57	L	98.5	Very high	97.5	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.01	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-135.1	92.5	-179.7	179.2	65.9	0	0	0	109.5	Y48 D49 V68 H72 Y75 A85	Y48-L57 CarbonylContact O-C 3.54Å; Y48-L57 WeakPolarHBondContact O-CA 3.29Å; D49-L57 WeakPolarHBondContact O-CD1 3.43Å; L57-V68 HydrophobicContact CD2-CG2 4.31Å; L57-V68 HydrophobicContact CG-CG2 3.86Å; L57-V68 WeakPolarHBondContact O-CG2 3.48Å; L57-V68 PolarHBondContact O-N 2.9Å; L57-H72 HydrophobicContact CD2-CB 4.36Å; L57-Y75 WeakPolarHBondContact CD1-O 3.43Å; L57-A85 HydrophobicContact CD1-CB 3.63Å
58	Y	98.6	Very high	97.5	Very high	27 Å²	27	37.6 Å²	37.6	11%	0.106	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	158.9	-176	-61.5	-9.4	0	0	0	110.8	Y48 V65 F66 D67 A85 G86 V132	Y48-Y58 AromaticContact CD1-CD1 4Å; Y48-Y58 HydrophobicContact CD1-CD1 4Å; Y48-Y58 AromaticContact CD1-CD2 3.31Å; Y48-Y58 HydrophobicContact CD1-CD2 3.31Å; Y48-Y58 AromaticContact CD1-CE1 3.95Å; Y48-Y58 HydrophobicContact CD1-CE1 3.95Å; Y48-Y58 AromaticContact CD1-CE2 3.26Å; Y48-Y58 HydrophobicContact CD1-CE2 3.26Å; Y48-Y58 AromaticContact CD1-CG 3.7Å; Y48-Y58 HydrophobicContact CD1-CG 3.7Å; Y48-Y58 AromaticContact CD1-CZ 3.6Å; Y48-Y58 AromaticContact CD2-CD2 3.9Å; Y48-Y58 HydrophobicContact CD2-CD2 3.9Å; Y48-Y58 HydrophobicContact CD2-CE2 4.25Å; Y48-Y58 AromaticContact CE1-CD2 3.81Å; Y48-Y58 HydrophobicContact CE1-CD2 3.81Å; Y48-Y58 HydrophobicContact CE1-CE1 4.33Å; Y48-Y58 AromaticContact CE1-CE2 3.27Å; Y48-Y58 HydrophobicContact CE1-CE2 3.27Å; Y48-Y58 AromaticContact CE1-CZ 3.58Å; Y48-Y58 HydrophobicContact CE2-CD2 4.33Å; Y48-Y58 HydrophobicContact CE2-CE2 4.26Å; Y48-Y58 HydrophobicContact CG-CD1 4.49Å; Y48-Y58 AromaticContact CG-CD2 3.39Å; Y48-Y58 HydrophobicContact CG-CD2 3.39Å; Y48-Y58 AromaticContact CG-CE2 3.81Å; Y48-Y58 HydrophobicContact CG-CE2 3.81Å; Y48-Y58 AromaticContact CG-CG 3.79Å; Y48-Y58 HydrophobicContact CG-CG 3.79Å; Y48-Y58 AromaticContact CZ-CE2 3.81Å; Y48-Y58 PolarHBondContact O-N 3.14Å; Y58-V65 HydrophobicContact CD2-CG1 3.91Å; Y58-V65 HydrophobicContact CG-CG1 4.2Å; Y58-F66 WeakPolarHBondContact CA-O 3.43Å; Y58-D67 HydrophobicContact CD1-CB 3.91Å; Y58-D67 HydrophobicContact CE1-CB 3.67Å; Y58-D67 WeakPolarHBondContact CE1-OD2 3.33Å; Y58-A85 CarbonylContact O-C 3.58Å; Y58-A85 WeakPolarHBondContact O-CA 3.43Å; Y58-G86 PolarHBondContact O-N 3.48Å; Y58-V132 HydrophobicContact CD2-CG2 4.17Å; Y58-V132 HydrophobicContact CE1-CG2 4.41Å; Y58-V132 HydrophobicContact CE2-CG2 3.96Å; Y58-V132 HydrophobicContact CG-CG2 4.47Å
59	L	98.3	Very high	97.5	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	164.8	162.7	67.8	79.3	0	0	0	109.2	I61 F66 V68 Y75 F93 Y125	L59-I61 HydrophobicContact CD1-CD1 4.24Å; L59-I61 HydrophobicContact CD1-CG1 3.83Å; L59-F66 PolarHBondContact N-O 3.46Å; L59-F66 VanDerWaalsContact N-O 3.12Å; L59-F66 PolarHBondContact O-N 3.47Å; L59-V68 HydrophobicContact CD1-CG1 4.5Å; L59-V68 HydrophobicContact CD2-CB 4.44Å; L59-V68 HydrophobicContact CD2-CG1 3.78Å; L59-V68 HydrophobicContact CD2-CG2 4.07Å; L59-V68 HydrophobicContact CG-CG1 3.69Å; L59-V68 HydrophobicContact CG-CG2 4.28Å; L59-Y75 HydrophobicContact CD2-CD1 3.72Å; L59-Y75 HydrophobicContact CD2-CE1 3.64Å; L59-Y75 HydrophobicContact CD2-CG 4.32Å; L59-F93 HydrophobicContact CD1-CZ 4.24Å; L59-Y125 HydrophobicContact CD1-CD1 4.16Å; L59-Y125 HydrophobicContact CD1-CE1 3.69Å; L59-Y125 HydrophobicContact CD2-CE1 3.94Å; L59-Y125 HydrophobicContact CG-CE1 4.18Å
60	A	98.7	Very high	97.5	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	149.5	176.9	0	0	0	0	0	113.3	L45 Q64 V65 K87 D88 S89 V135	L45-A60 HydrophobicContact CD2-CB 3.85Å; A60-Q64 CarbonylContact C-O 3.57Å; A60-Q64 WeakPolarHBondContact CA-O 3.45Å; A60-Q64 WeakPolarHBondContact CB-O 3.11Å; A60-V65 HydrophobicContact CB-CG2 4.2Å; A60-K87 PolarHBondContact N-O 2.83Å; A60-D88 HydrophobicContact CB-CB 3.79Å; A60-D88 WeakPolarHBondContact O-CA 3.39Å; A60-S89 PolarHBondContact O-N 3.18Å; A60-V135 HydrophobicContact CB-CG2 3.64Å
61	I	98.6	Very high	97.5	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	129.1	173.1	-44.3	-178.4	0	0	0	106.6	L59 G63 Q64 F93 L118 M122 Y125	L59-I61 HydrophobicContact CD1-CD1 4.24Å; L59-I61 HydrophobicContact CD1-CG1 3.83Å; I61-G63 PolarHBondContact O-N 3.38Å; I61-G63 VanDerWaalsContact O-N 3.12Å; I61-Q64 PolarHBondContact N-O 2.55Å; I61-Q64 WeakPolarHBondContact O-CA 3.42Å; I61-Q64 WeakPolarHBondContact O-CB 3.32Å; I61-Q64 PolarHBondContact O-N 3.26Å; I61-F93 HydrophobicContact CD1-CD1 4.33Å; I61-F93 HydrophobicContact CD1-CD2 4.15Å; I61-F93 HydrophobicContact CD1-CE1 3.86Å; I61-F93 HydrophobicContact CD1-CE2 3.65Å; I61-F93 HydrophobicContact CD1-CG 4.47Å; I61-F93 HydrophobicContact CD1-CZ 3.49Å; I61-F93 VanDerWaalsContact CD1-CZ 3.49Å; I61-F93 HydrophobicContact CG1-CD2 4.13Å; I61-F93 HydrophobicContact CG1-CE2 3.57Å; I61-F93 HydrophobicContact CG1-CZ 3.88Å; I61-F93 HydrophobicContact CG2-CD2 4.32Å; I61-L118 HydrophobicContact CG2-CD1 3.75Å; I61-M122 HydrophobicContact CB-CE 3.76Å; I61-M122 HydrophobicContact CB-SD 4.03Å; I61-M122 HydrophobicContact CG2-CE 3.77Å; I61-M122 HydrophobicContact CG2-SD 4.39Å; I61-M122 WeakPolarHBondContact O-CE 3.35Å; I61-Y125 HydrophobicContact CD1-CD1 4.06Å; I61-Y125 HydrophobicContact CD1-CD2 3.39Å; I61-Y125 HydrophobicContact CD1-CE1 4.27Å; I61-Y125 HydrophobicContact CD1-CE2 3.61Å; I61-Y125 HydrophobicContact CD1-CG 3.62Å
62	L	98.5	Very high	97.6	Very high	2 Å²	2	46 Å²	46	1%	0.01	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	41.1	43.6	-170.8	-59	173.9	0	0	0	113	Q64 S90 V107 L118 Y119 M122 F139 Y140 V153	L62-Q64 PolarHBondContact O-N 2.93Å; L62-Q64 VanDerWaalsContact O-N 3.16Å; L62-S90 PolarHBondContact N-OG 3.33Å; L62-V107 HydrophobicContact CD2-CG1 4.24Å; L62-V107 HydrophobicContact CD2-CG2 4.05Å; L62-L118 HydrophobicContact CD1-CD2 4.06Å; L62-L118 HydrophobicContact CD1-CG 4.22Å; L62-L118 HydrophobicContact CD2-CD2 3.63Å; L62-L118 HydrophobicContact CG-CD2 3.89Å; L62-L118 HydrophobicContact CG-CG 4.29Å; L62-Y119 HydrophobicContact CD1-CD2 4.07Å; L62-Y119 HydrophobicContact CD1-CE2 3.54Å; L62-M122 HydrophobicContact CB-CE 3.56Å; L62-M122 HydrophobicContact CD1-CE 3.97Å; L62-M122 HydrophobicContact CG-CE 3.94Å; L62-F139 HydrophobicContact CB-CD2 4.42Å; L62-F139 HydrophobicContact CB-CE2 4.38Å; L62-F139 HydrophobicContact CD2-CE1 3.8Å; L62-F139 HydrophobicContact CD2-CE2 3.98Å; L62-F139 HydrophobicContact CD2-CZ 3.47Å; L62-F139 VanDerWaalsContact CD2-CZ 3.47Å; L62-Y140 VanDerWaalsContact O-CE2 3.29Å; L62-Y140 WeakPolarHBondContact O-CE2 3.4Å; L62-V153 HydrophobicContact CD1-CG1 4.13Å; L62-V153 HydrophobicContact CD2-CG1 4.21Å
63	G	98.4	Very high	97.7	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.01	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	72	-4.2	-177	0	0	0	0	0	115.4	I61 D88 L134 V135	I61-G63 PolarHBondContact O-N 3.38Å; I61-G63 VanDerWaalsContact O-N 3.12Å; G63-D88 VanDerWaalsContact CA-OD2 3.3Å; G63-D88 WeakPolarHBondContact CA-OD2 3.3Å; G63-D88 PolarHBondContact N-OD2 3.26Å; G63-L134 CarbonylContact O-C 3.32Å; G63-L134 WeakPolarHBondContact O-CA 3.37Å; G63-V135 PolarHBondContact O-N 3.28Å
64	Q	98.6	Very high	97.9	Very high	32 Å²	32	43.2 Å²	43.2	15%	0.15	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	127	173.3	-61	-163.1	77.4	0	0	110.4	A60 I61 L62 F66 M122 H126 L134 Y140	A60-Q64 CarbonylContact C-O 3.57Å; A60-Q64 WeakPolarHBondContact CA-O 3.45Å; A60-Q64 WeakPolarHBondContact CB-O 3.11Å; I61-Q64 PolarHBondContact N-O 2.55Å; I61-Q64 WeakPolarHBondContact O-CA 3.42Å; I61-Q64 WeakPolarHBondContact O-CB 3.32Å; I61-Q64 PolarHBondContact O-N 3.26Å; L62-Q64 PolarHBondContact O-N 2.93Å; L62-Q64 VanDerWaalsContact O-N 3.16Å; Q64-F66 HydrophobicContact CB-CE2 3.77Å; Q64-F66 HydrophobicContact CB-CZ 4.06Å; Q64-F66 WeakPolarHBondContact O-CD2 3.4Å; Q64-F66 WeakPolarHBondContact O-CE2 3.22Å; Q64-M122 HydrophobicContact CB-CE 4.3Å; Q64-M122 HydrophobicContact CB-SD 4.03Å; Q64-M122 HydrophobicContact CG-CE 4.24Å; Q64-M122 HydrophobicContact CG-SD 4.28Å; Q64-M122 PolarHBondContact NE2-SD 3.12Å; Q64-H126 PolarHBondContact NE2-NE2 3.05Å; Q64-H126 PolarHBondContact OE1-CE1 2.82Å; Q64-H126 PolarHBondContact OE1-NE2 2.89Å; Q64-H126 VanDerWaalsContact OE1-NE2 3.13Å; Q64-L134 HydrophobicContact CG-CD2 4.1Å; Q64-Y140 HydrophobicContact CG-CE2 4.41Å
65	V	98.6	Very high	98.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	129.3	-173.1	-173.8	0	0	0	0	110	L40 L45 Y58 A60 H131 V132 G133 V135	L40-V65 HydrophobicContact CD1-CB 4.42Å; L40-V65 HydrophobicContact CD1-CG1 4.39Å; L40-V65 HydrophobicContact CD1-CG2 4.03Å; L45-V65 HydrophobicContact CD1-CG1 3.69Å; L45-V65 HydrophobicContact CD1-CG2 4.34Å; Y58-V65 HydrophobicContact CD2-CG1 3.91Å; Y58-V65 HydrophobicContact CG-CG1 4.2Å; A60-V65 HydrophobicContact CB-CG2 4.2Å; V65-H131 PolarHBondContact O-CD2 3.01Å; V65-H131 VanDerWaalsContact O-CD2 3.32Å; V65-V132 HydrophobicContact CB-CG2 4.17Å; V65-V132 HydrophobicContact CG1-CG2 3.74Å; V65-V132 WeakPolarHBondContact O-CG2 3.44Å; V65-V132 PolarHBondContact O-N 3.11Å; V65-G133 WeakPolarHBondContact CB-O 3.25Å; V65-G133 PolarHBondContact N-O 3.1Å; V65-V135 HydrophobicContact CG2-CG2 3.48Å; V65-V135 VanDerWaalsContact CG2-CG2 3.48Å
66	F	98.6	Very high	98.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	136.7	-179.7	-62.2	-86	0	0	0	111.4	Y58 L59 Q64 V68 M122 Y125 H126 Q130 H131	Y58-F66 WeakPolarHBondContact CA-O 3.43Å; L59-F66 PolarHBondContact N-O 3.46Å; L59-F66 VanDerWaalsContact N-O 3.12Å; L59-F66 PolarHBondContact O-N 3.47Å; Q64-F66 HydrophobicContact CB-CE2 3.77Å; Q64-F66 HydrophobicContact CB-CZ 4.06Å; Q64-F66 WeakPolarHBondContact O-CD2 3.4Å; Q64-F66 WeakPolarHBondContact O-CE2 3.22Å; F66-V68 HydrophobicContact CB-CG1 4.17Å; F66-V68 PolarHBondContact O-N 3.25Å; F66-M122 HydrophobicContact CE2-SD 3.65Å; F66-M122 HydrophobicContact CZ-SD 3.66Å; F66-Y125 HydrophobicContact CB-CD1 4.27Å; F66-Y125 HydrophobicContact CD2-CD1 4.22Å; F66-Y125 HydrophobicContact CG-CD1 4.14Å; F66-H126 AromaticContact CE1-CE1 3.85Å; F66-H126 AromaticContact CE1-CG 3.97Å; F66-H126 AromaticContact CE1-ND1 3.58Å; F66-H126 AromaticContact CZ-CE1 3.74Å; F66-H126 AromaticContact CZ-ND1 3.89Å; F66-H126 AromaticContact CZ-NE2 3.92Å; F66-Q130 CarbonylContact C-O 3.4Å; F66-Q130 VanDerWaalsContact CA-O 3.32Å; F66-Q130 WeakPolarHBondContact CA-O 3.41Å; F66-H131 HydrophobicContact CD1-CB 4.17Å; F66-H131 HydrophobicContact CE1-CB 3.94Å
67	D	98.4	Very high	98.2	Very high	41 Å²	41	36.2 Å²	36.2	22%	0.219	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	109.2	165	-172	-25.5	0	0	0	109.6	Y58 H69 Q130 V132	Y58-D67 HydrophobicContact CD1-CB 3.91Å; Y58-D67 HydrophobicContact CE1-CB 3.67Å; Y58-D67 WeakPolarHBondContact CE1-OD2 3.33Å; D67-H69 WeakPolarHBondContact OD1-CB 3.36Å; D67-H69 PolarHBondContact OD1-N 2.86Å; D67-Q130 HydrophobicContact CB-CB 4.39Å; D67-Q130 PolarHBondContact N-O 3.48Å; D67-V132 HydrophobicContact CB-CG1 3.89Å
68	V	98.3	Very high	98.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.212	C	C	.	.			trans	-102.5	21	-177.3	-58	0	0	0	0	112.8	L57 L59 F66 K70 G71 H72 Y75 Y125 Y129	L57-V68 HydrophobicContact CD2-CG2 4.31Å; L57-V68 HydrophobicContact CG-CG2 3.86Å; L57-V68 WeakPolarHBondContact O-CG2 3.48Å; L57-V68 PolarHBondContact O-N 2.9Å; L59-V68 HydrophobicContact CD1-CG1 4.5Å; L59-V68 HydrophobicContact CD2-CB 4.44Å; L59-V68 HydrophobicContact CD2-CG1 3.78Å; L59-V68 HydrophobicContact CD2-CG2 4.07Å; L59-V68 HydrophobicContact CG-CG1 3.69Å; L59-V68 HydrophobicContact CG-CG2 4.28Å; F66-V68 HydrophobicContact CB-CG1 4.17Å; F66-V68 PolarHBondContact O-N 3.25Å; V68-K70 PolarHBondContact O-N 3.01Å; V68-G71 CarbonylContact O-C 3.22Å; V68-G71 VanDerWaalsContact O-CA 3.29Å; V68-G71 WeakPolarHBondContact O-CA 3.42Å; V68-G71 PolarHBondContact O-N 3.33Å; V68-H72 PolarHBondContact O-N 2.85Å; V68-Y75 HydrophobicContact CB-CD2 3.69Å; V68-Y75 HydrophobicContact CB-CE2 4.02Å; V68-Y75 HydrophobicContact CB-CG 4.28Å; V68-Y75 HydrophobicContact CG1-CE2 4.47Å; V68-Y75 HydrophobicContact CG2-CD2 3.67Å; V68-Y75 HydrophobicContact CG2-CE2 4.41Å; V68-Y75 HydrophobicContact CG2-CG 3.78Å; V68-Y125 HydrophobicContact CG1-CD1 4.4Å; V68-Y125 HydrophobicContact CG1-CE1 3.97Å; V68-Y129 HydrophobicContact CB-CD1 4.07Å; V68-Y129 HydrophobicContact CB-CE1 4.1Å; V68-Y129 HydrophobicContact CG1-CD1 3.94Å; V68-Y129 HydrophobicContact CG1-CD2 4.27Å; V68-Y129 HydrophobicContact CG1-CE1 4.22Å; V68-Y129 HydrophobicContact CG1-CG 3.96Å
69	H	97.7	Very high	98	Very high	118 Å²	118	39.7 Å²	39.7	55%	0.546	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-58.4	-34.7	175.9	-165.8	78	0	0	0	112.8	D67 G71 H72	D67-H69 WeakPolarHBondContact OD1-CB 3.36Å; D67-H69 PolarHBondContact OD1-N 2.86Å; H69-G71 PolarHBondContact O-N 3.12Å; H69-G71 VanDerWaalsContact O-N 3.14Å; H69-H72 VanDerWaalsContact O-CB 3.31Å; H69-H72 WeakPolarHBondContact O-CB 2.94Å; H69-H72 PolarHBondContact O-N 2.98Å
70	K	97.6	Very high	97.9	Very high	147 Å²	147	42.5 Å²	42.5	64%	0.639	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-53.8	-32.6	170.5	-175.7	-167.2	179.4	-168.1	0	112.1	V68 E128 Y129	V68-K70 PolarHBondContact O-N 3.01Å; K70-E128 WeakPolarHBondContact CD-O 3.42Å; K70-E128 PolarHBondContact NZ-O 3.22Å; K70-E128 IonicContact NZ-OE2 3.99Å; K70-E128 PolarHBondContact NZ-OE2 2.63Å; K70-Y129 HydrophobicContact CB-CD1 4.28Å; K70-Y129 HydrophobicContact CB-CE1 4.24Å
71	G	97.3	Very high	97.8	Very high	4 Å²	4	47.6 Å²	47.6	4%	0.041	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-95.5	21.9	178.3	0	0	0	0	0	114.1	V68 H69 K73 H74 Y75	V68-G71 CarbonylContact O-C 3.22Å; V68-G71 VanDerWaalsContact O-CA 3.29Å; V68-G71 WeakPolarHBondContact O-CA 3.42Å; V68-G71 PolarHBondContact O-N 3.33Å; H69-G71 PolarHBondContact O-N 3.12Å; H69-G71 VanDerWaalsContact O-N 3.14Å; G71-K73 PolarHBondContact O-N 3.5Å; G71-H74 WeakPolarHBondContact O-CA 3.38Å; G71-H74 VanDerWaalsContact O-CB 3.31Å; G71-H74 WeakPolarHBondContact O-CB 3.48Å; G71-H74 PolarHBondContact O-N 2.83Å; G71-Y75 VanDerWaalsContact O-CD2 3.28Å; G71-Y75 WeakPolarHBondContact O-CD2 3.22Å; G71-Y75 PolarHBondContact O-N 2.94Å
72	H	97.7	Very high	97.8	Very high	84 Å²	84	49.5 Å²	49.5	39%	0.389	27%	0.272	S	S	.	.	H	α-helix	trans	-49.5	-35.9	-173.6	-176.1	-77.3	0	0	0	114.6	L57 V68 H69 H74 G76	L57-H72 HydrophobicContact CD2-CB 4.36Å; V68-H72 PolarHBondContact O-N 2.85Å; H69-H72 VanDerWaalsContact O-CB 3.31Å; H69-H72 WeakPolarHBondContact O-CB 2.94Å; H69-H72 PolarHBondContact O-N 2.98Å; H72-H74 PolarHBondContact O-N 2.63Å; H72-H74 VanDerWaalsContact O-N 3.11Å; H72-G76 VanDerWaalsContact O-CA 3.27Å; H72-G76 WeakPolarHBondContact O-CA 3.43Å; H72-G76 PolarHBondContact O-N 3.01Å
73	K	97.9	Very high	97.6	Very high	163 Å²	163	52.4 Å²	52.4	71%	0.709	29%	0.285	S	S	*	.	H	α-helix	trans	-60.7	-20.3	176.5	70.5	-174.6	-174.4	-175.7	0	114.3	G71	G71-K73 PolarHBondContact O-N 3.5Å
74	H	97.6	Very high	97.6	Very high	69 Å²	69	52.7 Å²	52.7	32%	0.319	29%	0.286	S	S	.	.	H	α-helix	trans	-99.7	-47.8	-178.5	-63.1	-61.5	0	0	0	111.8	G71 H72 G79 G80 Y81 H82	G71-H74 WeakPolarHBondContact O-CA 3.38Å; G71-H74 VanDerWaalsContact O-CB 3.31Å; G71-H74 WeakPolarHBondContact O-CB 3.48Å; G71-H74 PolarHBondContact O-N 2.83Å; H72-H74 PolarHBondContact O-N 2.63Å; H72-H74 VanDerWaalsContact O-N 3.11Å; H74-G79 CarbonylContact O-C 3.58Å; H74-G79 VanDerWaalsContact O-C 3.22Å; H74-G79 VanDerWaalsContact O-CA 3.31Å; H74-G79 WeakPolarHBondContact O-CA 3.13Å; H74-G80 PolarHBondContact O-N 3.08Å; H74-Y81 HydrophobicContact CB-CD2 4.09Å; H74-Y81 CarbonylContact O-C 3.6Å; H74-Y81 WeakPolarHBondContact O-CA 3.43Å; H74-Y81 PolarHBondContact O-N 2.8Å; H74-H82 PolarHBondContact O-N 2.94Å
75	Y	98.2	Very high	97.6	Very high	16 Å²	16	51.4 Å²	51.4	6%	0.063	28%	0.282	C	S	.	.	H	α-helix	trans	-107	-16.3	-170.6	-45.7	-78.7	0	0	0	113.9	L57 L59 V68 G71 H82 Y125 Y129	L57-Y75 WeakPolarHBondContact CD1-O 3.43Å; L59-Y75 HydrophobicContact CD2-CD1 3.72Å; L59-Y75 HydrophobicContact CD2-CE1 3.64Å; L59-Y75 HydrophobicContact CD2-CG 4.32Å; V68-Y75 HydrophobicContact CB-CD2 3.69Å; V68-Y75 HydrophobicContact CB-CE2 4.02Å; V68-Y75 HydrophobicContact CB-CG 4.28Å; V68-Y75 HydrophobicContact CG1-CE2 4.47Å; V68-Y75 HydrophobicContact CG2-CD2 3.67Å; V68-Y75 HydrophobicContact CG2-CE2 4.41Å; V68-Y75 HydrophobicContact CG2-CG 3.78Å; G71-Y75 VanDerWaalsContact O-CD2 3.28Å; G71-Y75 WeakPolarHBondContact O-CD2 3.22Å; G71-Y75 PolarHBondContact O-N 2.94Å; Y75-H82 WeakPolarHBondContact O-CA 3.45Å; Y75-H82 PolarHBondContact O-ND1 3.44Å; Y75-Y125 PolarHBondContact OH-OH 2.55Å; Y75-Y129 HydrophobicContact CE2-CE1 4.41Å; Y75-Y129 AromaticContact CE2-CZ 3.93Å; Y75-Y129 WeakPolarHBondContact CE2-OH 3.48Å; Y75-Y129 PolarHBondContact OH-OH 2.78Å
76	G	97.8	Very high	97.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.283	C	S	.	.	S	Bend	trans	-73.4	170.3	175.4	0	0	0	0	0	111.9	H72 G78 G79 H82	H72-G76 VanDerWaalsContact O-CA 3.27Å; H72-G76 WeakPolarHBondContact O-CA 3.43Å; H72-G76 PolarHBondContact O-N 3.01Å; G76-G78 PolarHBondContact O-N 3.22Å; G76-G79 WeakPolarHBondContact O-CA 3.41Å; G76-G79 PolarHBondContact O-N 2.75Å; G76-H82 PolarHBondContact O-ND1 3.02Å
77	P	97.6	Very high	97.5	Very high	53 Å²	53	55.8 Å²	55.8	34%	0.344	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	130.4	-178.9	-28.4	35.6	0	0	0	112.7	G50 E51 G79	G50-P77 VanDerWaalsContact O-CD 3.28Å; G50-P77 WeakPolarHBondContact O-CD 3.42Å; G50-P77 VanDerWaalsContact O-CG 3.23Å; G50-P77 WeakPolarHBondContact O-CG 3.38Å; E51-P77 HydrophobicContact CG-CG 4.22Å; P77-G79 VanDerWaalsContact C-N 3.28Å; P77-G79 PolarHBondContact O-N 3.12Å
78	G	96.3	Very high	97.5	Very high	88 Å²	88	54.5 Å²	54.5	91%	0.907	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.2	-3.9	-174.6	0	0	0	0	0	115.3	G76	G76-G78 PolarHBondContact O-N 3.22Å
79	G	97.1	Very high	97.4	Very high	15 Å²	15	54.6 Å²	54.6	16%	0.155	30%	0.295	C	S	.	.			trans	-75.5	148.6	172.5	0	0	0	0	0	112.7	H74 G76 P77 Y81 H82	H74-G79 CarbonylContact O-C 3.58Å; H74-G79 VanDerWaalsContact O-C 3.22Å; H74-G79 VanDerWaalsContact O-CA 3.31Å; H74-G79 WeakPolarHBondContact O-CA 3.13Å; G76-G79 WeakPolarHBondContact O-CA 3.41Å; G76-G79 PolarHBondContact O-N 2.75Å; P77-G79 VanDerWaalsContact C-N 3.28Å; P77-G79 PolarHBondContact O-N 3.12Å; G79-Y81 PolarHBondContact O-N 3Å; G79-Y81 VanDerWaalsContact O-N 3.14Å; G79-H82 VanDerWaalsContact O-CB 3.3Å; G79-H82 WeakPolarHBondContact O-CB 3.49Å; G79-H82 PolarHBondContact O-N 2.97Å
80	G	96.5	Very high	97.5	Very high	60 Å²	60	49 Å²	49	62%	0.619	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-13.5	-175.8	0	0	0	0	0	115.5	H74 F83	H74-G80 PolarHBondContact O-N 3.08Å; G80-F83 WeakPolarHBondContact O-CE1 3.43Å
81	Y	97	Very high	97.5	Very high	106 Å²	106	42.9 Å²	42.9	42%	0.416	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.6	15.9	178.2	-56.8	-67.3	0	0	0	112.4	H74 G79 F83 M84 F98	H74-Y81 HydrophobicContact CB-CD2 4.09Å; H74-Y81 CarbonylContact O-C 3.6Å; H74-Y81 WeakPolarHBondContact O-CA 3.43Å; H74-Y81 PolarHBondContact O-N 2.8Å; G79-Y81 PolarHBondContact O-N 3Å; G79-Y81 VanDerWaalsContact O-N 3.14Å; Y81-F83 HydrophobicContact CD1-CZ 4.03Å; Y81-F83 PolarHBondContact O-N 3.16Å; Y81-F83 VanDerWaalsContact O-N 3.17Å; Y81-M84 PolarHBondContact O-N 3.36Å; Y81-M84 VanDerWaalsContact O-N 3.13Å; Y81-F98 HydrophobicContact CE1-CZ 4.31Å
82	H	97.6	Very high	97.5	Very high	40 Å²	40	42.8 Å²	42.8	19%	0.185	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-58.8	-29	-177.3	179.5	61.6	0	0	0	113.5	D49 E51 H74 Y75 G76 G79 M84 A85	D49-H82 PolarHBondContact O-CE1 3.21Å; E51-H82 IonicContact OE1-NE2 3.29Å; E51-H82 PolarHBondContact OE1-NE2 3.25Å; H74-H82 PolarHBondContact O-N 2.94Å; Y75-H82 WeakPolarHBondContact O-CA 3.45Å; Y75-H82 PolarHBondContact O-ND1 3.44Å; G76-H82 PolarHBondContact O-ND1 3.02Å; G79-H82 VanDerWaalsContact O-CB 3.3Å; G79-H82 WeakPolarHBondContact O-CB 3.49Å; G79-H82 PolarHBondContact O-N 2.97Å; H82-M84 PolarHBondContact O-N 2.93Å; H82-A85 VanDerWaalsContact O-CB 3.22Å; H82-A85 WeakPolarHBondContact O-CB 3.37Å; H82-A85 PolarHBondContact O-N 3.35Å
83	F	95.5	Very high	97.6	Very high	63 Å²	63	40 Å²	40	28%	0.276	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-61.2	-16.7	177.9	49.6	-107.1	0	0	0	114.7	G80 Y81 K87 F98 L103	G80-F83 WeakPolarHBondContact O-CE1 3.43Å; Y81-F83 HydrophobicContact CD1-CZ 4.03Å; Y81-F83 PolarHBondContact O-N 3.16Å; Y81-F83 VanDerWaalsContact O-N 3.17Å; F83-K87 WeakPolarHBondContact O-CD 3.14Å; F83-K87 PolarHBondContact O-NZ 3.01Å; F83-F98 HydrophobicContact CD2-CB 4.13Å; F83-F98 HydrophobicContact CD2-CD1 4.35Å; F83-F98 HydrophobicContact CD2-CG 4.37Å; F83-F98 HydrophobicContact CE1-CB 4.09Å; F83-F98 HydrophobicContact CE1-CD2 4.21Å; F83-F98 HydrophobicContact CE1-CG 4.11Å; F83-F98 HydrophobicContact CE2-CB 3.63Å; F83-F98 AromaticContact CE2-CD1 3.3Å; F83-F98 HydrophobicContact CE2-CD1 3.3Å; F83-F98 HydrophobicContact CE2-CD2 4.14Å; F83-F98 AromaticContact CE2-CE1 3.98Å; F83-F98 HydrophobicContact CE2-CE1 3.98Å; F83-F98 AromaticContact CE2-CG 3.41Å; F83-F98 HydrophobicContact CE2-CG 3.41Å; F83-F98 VanDerWaalsContact CE2-CG 3.41Å; F83-F98 HydrophobicContact CZ-CB 3.61Å; F83-F98 AromaticContact CZ-CD1 3.56Å; F83-F98 HydrophobicContact CZ-CD1 3.56Å; F83-F98 AromaticContact CZ-CD2 3.51Å; F83-F98 HydrophobicContact CZ-CD2 3.51Å; F83-F98 HydrophobicContact CZ-CE1 4.08Å; F83-F98 HydrophobicContact CZ-CE2 4.02Å; F83-F98 AromaticContact CZ-CG 3.25Å; F83-F98 HydrophobicContact CZ-CG 3.25Å; F83-F98 HydrophobicContact CZ-CZ 4.28Å; F83-L103 HydrophobicContact CB-CD1 4.03Å; F83-L103 HydrophobicContact CD2-CD1 4.09Å; F83-L103 HydrophobicContact CD2-CD2 3.67Å; F83-L103 HydrophobicContact CE2-CD2 4.15Å; F83-L103 HydrophobicContact CG-CD1 4.4Å
84	M	97.3	Very high	97.6	Very high	7 Å²	7	34 Å²	34	3%	0.034	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-87.1	-15.1	174.2	-60.6	-173.4	166.9	0	0	113.2	Y81 H82 K87 A92 F93 F98 L103	Y81-M84 PolarHBondContact O-N 3.36Å; Y81-M84 VanDerWaalsContact O-N 3.13Å; H82-M84 PolarHBondContact O-N 2.93Å; M84-K87 PolarHBondContact O-N 3.44Å; M84-A92 HydrophobicContact CE-CB 3.72Å; M84-F93 HydrophobicContact SD-CE2 4.18Å; M84-F93 HydrophobicContact SD-CZ 4.06Å; M84-F98 HydrophobicContact CE-CD1 3.78Å; M84-F98 HydrophobicContact CE-CE1 3.42Å; M84-F98 VanDerWaalsContact CE-CE1 3.42Å; M84-F98 HydrophobicContact CE-CZ 4.45Å; M84-L103 HydrophobicContact CG-CD2 4.21Å
85	A	98.1	Very high	97.5	Very high	6 Å²	6	34 Å²	34	5%	0.05	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	138.4	-179.5	0	0	0	0	0	110.8	D49 L57 Y58 H82 K87	D49-A85 HydrophobicContact CB-CB 4.49Å; D49-A85 WeakPolarHBondContact O-CB 3.21Å; L57-A85 HydrophobicContact CD1-CB 3.63Å; Y58-A85 CarbonylContact O-C 3.58Å; Y58-A85 WeakPolarHBondContact O-CA 3.43Å; H82-A85 VanDerWaalsContact O-CB 3.22Å; H82-A85 WeakPolarHBondContact O-CB 3.37Å; H82-A85 PolarHBondContact O-N 3.35Å; A85-K87 PolarHBondContact O-N 2.87Å
86	G	98.2	Very high	97.4	Very high	3 Å²	3	35.2 Å²	35.2	3%	0.031	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	16.4	-176.5	0	0	0	0	0	114.8	L45 S46 Y48 Y58	L45-G86 CarbonylContact C-O 3.56Å; L45-G86 WeakPolarHBondContact O-CA 3.38Å; S46-G86 VanDerWaalsContact CA-O 3.23Å; S46-G86 WeakPolarHBondContact CA-O 3.3Å; S46-G86 PolarHBondContact N-O 3.32Å; Y48-G86 PolarHBondContact O-N 2.8Å; Y58-G86 PolarHBondContact O-N 3.48Å
87	K	98	Very high	97.3	Very high	89 Å²	89	37.9 Å²	37.9	39%	0.387	24%	0.241	S	C	.	.	S	Bend	trans	-133.5	157.8	-177.6	-60.1	178.5	-167.5	164.9	0	112	A60 F83 M84 A85	A60-K87 PolarHBondContact N-O 2.83Å; F83-K87 WeakPolarHBondContact O-CD 3.14Å; F83-K87 PolarHBondContact O-NZ 3.01Å; M84-K87 PolarHBondContact O-N 3.44Å; A85-K87 PolarHBondContact O-N 2.87Å
88	D	98.4	Very high	97.1	Very high	14 Å²	14	39.5 Å²	39.5	8%	0.075	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-88.9	116.1	156.9	-170.4	-33.2	0	0	0	107.8	A60 G63 S90 T104 D105	A60-D88 HydrophobicContact CB-CB 3.79Å; A60-D88 WeakPolarHBondContact O-CA 3.39Å; G63-D88 VanDerWaalsContact CA-OD2 3.3Å; G63-D88 WeakPolarHBondContact CA-OD2 3.3Å; G63-D88 PolarHBondContact N-OD2 3.26Å; D88-S90 WeakPolarHBondContact OD1-CB 3.23Å; D88-S90 PolarHBondContact OD1-N 3.15Å; D88-S90 PolarHBondContact OD1-OG 2.78Å; D88-T104 CarbonylContact O-C 3.39Å; D88-D105 HydrophobicContact CB-CB 3.88Å
89	S	96.9	Very high	97	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.007	22%	0.221	C	C	.	.			trans	-123.2	37.4	-178.2	-60.6	0	0	0	0	111	A60 L91 A92 F93 T104	A60-S89 PolarHBondContact O-N 3.18Å; S89-L91 PolarHBondContact O-N 3.03Å; S89-L91 VanDerWaalsContact O-N 3.16Å; S89-A92 WeakPolarHBondContact O-CB 3.46Å; S89-A92 PolarHBondContact O-N 2.93Å; S89-F93 VanDerWaalsContact O-CD2 3.31Å; S89-F93 WeakPolarHBondContact O-CD2 3.41Å; S89-T104 CarbonylContact C-O 3.4Å
90	S	98.6	Very high	96.6	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-44.8	-45.6	-178.1	-66.1	0	0	0	0	113.8	L62 D88 A92 F93 T104 L118	L62-S90 PolarHBondContact N-OG 3.33Å; D88-S90 WeakPolarHBondContact OD1-CB 3.23Å; D88-S90 PolarHBondContact OD1-N 3.15Å; D88-S90 PolarHBondContact OD1-OG 2.78Å; S90-A92 PolarHBondContact O-N 3.39Å; S90-F93 PolarHBondContact O-N 3.11Å; S90-T104 PolarHBondContact N-O 2.9Å; S90-L118 WeakPolarHBondContact O-CD1 3.36Å
91	L	98.4	Very high	96.4	Very high	20 Å²	20	48.2 Å²	48.2	11%	0.105	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-41.3	-177.4	-175	64.9	0	0	0	112.2	S89 F93 I94 T95 T104 L110	S89-L91 PolarHBondContact O-N 3.03Å; S89-L91 VanDerWaalsContact O-N 3.16Å; L91-F93 PolarHBondContact O-N 3.5Å; L91-I94 PolarHBondContact O-N 2.93Å; L91-T95 HydrophobicContact CD1-CG2 3.74Å; L91-T95 HydrophobicContact CG-CG2 3.83Å; L91-T95 PolarHBondContact O-N 3.27Å; L91-T95 PolarHBondContact O-OG1 2.96Å; L91-T104 HydrophobicContact CB-CG2 3.92Å; L91-T104 HydrophobicContact CD2-CG2 3.65Å; L91-T104 HydrophobicContact CG-CG2 4.44Å; L91-T104 PolarHBondContact N-O 3.31Å; L91-T104 VanDerWaalsContact N-O 3.17Å; L91-L110 HydrophobicContact CD1-CD2 3.64Å; L91-L110 HydrophobicContact CD1-CG 4.04Å
92	A	97.9	Very high	96.2	Very high	2 Å²	2	43.2 Å²	43.2	2%	0.017	24%	0.235	C	C	.	.	H	α-helix	trans	-64.1	-22	-176.7	0	0	0	0	0	113.7	M84 S89 S90 I94 G96 D97 F98 L103	M84-A92 HydrophobicContact CE-CB 3.72Å; S89-A92 WeakPolarHBondContact O-CB 3.46Å; S89-A92 PolarHBondContact O-N 2.93Å; S90-A92 PolarHBondContact O-N 3.39Å; A92-I94 PolarHBondContact O-N 2.69Å; A92-G96 WeakPolarHBondContact O-CA 3.38Å; A92-G96 PolarHBondContact O-N 3.26Å; A92-G96 VanDerWaalsContact O-N 3.07Å; A92-D97 WeakPolarHBondContact CB-O 3.38Å; A92-F98 HydrophobicContact CB-CD1 4.12Å; A92-F98 HydrophobicContact CB-CE1 4.28Å; A92-L103 HydrophobicContact CB-CD2 4.08Å
93	F	97.8	Very high	96.1	Very high	24 Å²	24	42.6 Å²	42.6	11%	0.105	23%	0.233	C	C	.	.	H	α-helix	trans	-64.3	-26.8	172.9	-81.1	-82.4	0	0	0	113.2	L59 I61 M84 S89 S90 L91 L118 W121 Y125	L59-F93 HydrophobicContact CD1-CZ 4.24Å; I61-F93 HydrophobicContact CD1-CD1 4.33Å; I61-F93 HydrophobicContact CD1-CD2 4.15Å; I61-F93 HydrophobicContact CD1-CE1 3.86Å; I61-F93 HydrophobicContact CD1-CE2 3.65Å; I61-F93 HydrophobicContact CD1-CG 4.47Å; I61-F93 HydrophobicContact CD1-CZ 3.49Å; I61-F93 VanDerWaalsContact CD1-CZ 3.49Å; I61-F93 HydrophobicContact CG1-CD2 4.13Å; I61-F93 HydrophobicContact CG1-CE2 3.57Å; I61-F93 HydrophobicContact CG1-CZ 3.88Å; I61-F93 HydrophobicContact CG2-CD2 4.32Å; M84-F93 HydrophobicContact SD-CE2 4.18Å; M84-F93 HydrophobicContact SD-CZ 4.06Å; S89-F93 VanDerWaalsContact O-CD2 3.31Å; S89-F93 WeakPolarHBondContact O-CD2 3.41Å; S90-F93 PolarHBondContact O-N 3.11Å; L91-F93 PolarHBondContact O-N 3.5Å; F93-L118 HydrophobicContact CB-CD1 3.96Å; F93-W121 HydrophobicContact CB-CG 4.33Å; F93-W121 HydrophobicContact CD1-CB 4.29Å; F93-W121 AromaticContact CD1-CD2 3.88Å; F93-W121 HydrophobicContact CD1-CD2 3.88Å; F93-W121 HydrophobicContact CD1-CE3 4.21Å; F93-W121 AromaticContact CD1-CG 3.93Å; F93-W121 HydrophobicContact CD1-CG 3.93Å; F93-W121 HydrophobicContact CE1-CE3 4.44Å; F93-W121 PolarHBondContact O-NE1 3.49Å; F93-W121 VanDerWaalsContact O-NE1 3.12Å; F93-Y125 HydrophobicContact CD1-CE2 4.36Å; F93-Y125 HydrophobicContact CE1-CD2 4.47Å; F93-Y125 AromaticContact CE1-CE2 3.43Å; F93-Y125 HydrophobicContact CE1-CE2 3.43Å; F93-Y125 VanDerWaalsContact CE1-CE2 3.43Å; F93-Y125 AromaticContact CE1-CZ 3.65Å; F93-Y125 VanDerWaalsContact CE1-OH 3.27Å; F93-Y125 WeakPolarHBondContact CE1-OH 3.45Å; F93-Y125 AromaticContact CZ-CE2 3.87Å; F93-Y125 HydrophobicContact CZ-CE2 3.87Å; F93-Y125 AromaticContact CZ-CZ 3.71Å; F93-Y125 WeakPolarHBondContact CZ-OH 3.39Å
94	I	98.4	Very high	96.2	Very high	39 Å²	39	41.6 Å²	41.6	20%	0.2	23%	0.232	C	C	.	.	H	α-helix	trans	-100.2	-48.4	179.7	-59.4	-49.4	0	0	0	111.3	L91 A92 L110 E114 A117 L118	L91-I94 PolarHBondContact O-N 2.93Å; A92-I94 PolarHBondContact O-N 2.69Å; I94-L110 HydrophobicContact CB-CD1 4.34Å; I94-L110 HydrophobicContact CB-CD2 4.06Å; I94-L110 HydrophobicContact CG1-CD1 3.87Å; I94-L110 HydrophobicContact CG1-CD2 4.47Å; I94-L110 HydrophobicContact CG2-CD2 3.81Å; I94-E114 HydrophobicContact CG2-CB 3.93Å; I94-E114 HydrophobicContact CG2-CG 3.87Å; I94-A117 HydrophobicContact CD1-CB 3.87Å; I94-L118 HydrophobicContact CD1-CB 3.92Å; I94-L118 HydrophobicContact CD1-CD1 4.48Å; I94-L118 HydrophobicContact CG1-CB 3.96Å; I94-L118 HydrophobicContact CG1-CD1 4.27Å
95	T	96.9	Very high	96.2	Very high	69 Å²	69	41.5 Å²	41.5	42%	0.423	23%	0.232	S	C	.	.	H	α-helix	trans	-78.3	-25.6	-172.5	62.1	0	0	0	0	112.8	L91 D97	L91-T95 HydrophobicContact CD1-CG2 3.74Å; L91-T95 HydrophobicContact CG-CG2 3.83Å; L91-T95 PolarHBondContact O-N 3.27Å; L91-T95 PolarHBondContact O-OG1 2.96Å; T95-D97 PolarHBondContact O-N 2.74Å; T95-D97 PolarHBondContact OG1-N 3.31Å
96	G	95.9	Very high	96.2	Very high	41 Å²	41	43.4 Å²	43.4	42%	0.423	24%	0.241	S	C	.	.			trans	65	12.5	-168.1	0	0	0	0	0	113.5	A92 F98	A92-G96 WeakPolarHBondContact O-CA 3.38Å; A92-G96 PolarHBondContact O-N 3.26Å; A92-G96 VanDerWaalsContact O-N 3.07Å; G96-F98 PolarHBondContact O-N 2.99Å
97	D	94.9	Very high	96.2	Very high	56 Å²	56	43.6 Å²	43.6	30%	0.299	24%	0.242	S	C	.	.			trans	-82.1	109.9	174.4	-178.6	8.9	0	0	0	109.8	A92 T95 T99 G102	A92-D97 WeakPolarHBondContact CB-O 3.38Å; T95-D97 PolarHBondContact O-N 2.74Å; T95-D97 PolarHBondContact OG1-N 3.31Å; D97-T99 VanDerWaalsContact CG-OG1 3.27Å; D97-T99 VanDerWaalsContact OD1-CB 3.29Å; D97-T99 WeakPolarHBondContact OD1-CB 3.21Å; D97-T99 VanDerWaalsContact OD1-CG2 3.29Å; D97-T99 WeakPolarHBondContact OD1-CG2 3.31Å; D97-T99 PolarHBondContact OD1-N 3.14Å; D97-T99 PolarHBondContact OD1-OG1 2.96Å; D97-T99 PolarHBondContact OD2-OG1 3.27Å; D97-G102 CarbonylContact O-C 3.57Å; D97-G102 WeakPolarHBondContact O-CA 3.5Å
98	F	93.9	Very high	96.2	Very high	86 Å²	86	44.3 Å²	44.3	38%	0.377	26%	0.258	S	S	.	.			trans	-102.1	12.9	-179.6	-50.6	-44.1	0	0	0	113.1	Y81 F83 M84 A92 G96	Y81-F98 HydrophobicContact CE1-CZ 4.31Å; F83-F98 HydrophobicContact CD2-CB 4.13Å; F83-F98 HydrophobicContact CD2-CD1 4.35Å; F83-F98 HydrophobicContact CD2-CG 4.37Å; F83-F98 HydrophobicContact CE1-CB 4.09Å; F83-F98 HydrophobicContact CE1-CD2 4.21Å; F83-F98 HydrophobicContact CE1-CG 4.11Å; F83-F98 HydrophobicContact CE2-CB 3.63Å; F83-F98 AromaticContact CE2-CD1 3.3Å; F83-F98 HydrophobicContact CE2-CD1 3.3Å; F83-F98 HydrophobicContact CE2-CD2 4.14Å; F83-F98 AromaticContact CE2-CE1 3.98Å; F83-F98 HydrophobicContact CE2-CE1 3.98Å; F83-F98 AromaticContact CE2-CG 3.41Å; F83-F98 HydrophobicContact CE2-CG 3.41Å; F83-F98 VanDerWaalsContact CE2-CG 3.41Å; F83-F98 HydrophobicContact CZ-CB 3.61Å; F83-F98 AromaticContact CZ-CD1 3.56Å; F83-F98 HydrophobicContact CZ-CD1 3.56Å; F83-F98 AromaticContact CZ-CD2 3.51Å; F83-F98 HydrophobicContact CZ-CD2 3.51Å; F83-F98 HydrophobicContact CZ-CE1 4.08Å; F83-F98 HydrophobicContact CZ-CE2 4.02Å; F83-F98 AromaticContact CZ-CG 3.25Å; F83-F98 HydrophobicContact CZ-CG 3.25Å; F83-F98 HydrophobicContact CZ-CZ 4.28Å; M84-F98 HydrophobicContact CE-CD1 3.78Å; M84-F98 HydrophobicContact CE-CE1 3.42Å; M84-F98 VanDerWaalsContact CE-CE1 3.42Å; M84-F98 HydrophobicContact CE-CZ 4.45Å; A92-F98 HydrophobicContact CB-CD1 4.12Å; A92-F98 HydrophobicContact CB-CE1 4.28Å; G96-F98 PolarHBondContact O-N 2.99Å
99	T	93.6	Very high	96.1	Very high	75 Å²	75	47.7 Å²	47.7	46%	0.46	28%	0.283	S	S	.	.	S	Bend	trans	-73.4	168.5	169.1	67.8	0	0	0	0	110.8	D97 S101 G102 L103	D97-T99 VanDerWaalsContact CG-OG1 3.27Å; D97-T99 VanDerWaalsContact OD1-CB 3.29Å; D97-T99 WeakPolarHBondContact OD1-CB 3.21Å; D97-T99 VanDerWaalsContact OD1-CG2 3.29Å; D97-T99 WeakPolarHBondContact OD1-CG2 3.31Å; D97-T99 PolarHBondContact OD1-N 3.14Å; D97-T99 PolarHBondContact OD1-OG1 2.96Å; D97-T99 PolarHBondContact OD2-OG1 3.27Å; T99-S101 PolarHBondContact O-N 3.42Å; T99-S101 PolarHBondContact OG1-OG 3.11Å; T99-G102 PolarHBondContact O-N 3.12Å; T99-L103 WeakPolarHBondContact O-CG 3.37Å; T99-L103 PolarHBondContact O-N 3.19Å
100	E	89.8	Confident	96.2	Very high	182 Å²	182	48.4 Å²	48.4	85%	0.85	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-35.2	179	-171.2	176.4	-177.1	0	0	112.9
101	S	91.5	Very high	96.2	Very high	90 Å²	90	50.7 Å²	50.7	63%	0.629	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-30.9	175.9	45	0	0	0	0	113.7	T99 T104	T99-S101 PolarHBondContact O-N 3.42Å; T99-S101 PolarHBondContact OG1-OG 3.11Å; S101-T104 WeakPolarHBondContact O-CG2 3.25Å
102	G	92.2	Very high	96.2	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.01	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-26.8	179.4	0	0	0	0	0	113.8	D97 T99 T104	D97-G102 CarbonylContact O-C 3.57Å; D97-G102 WeakPolarHBondContact O-CA 3.5Å; T99-G102 PolarHBondContact O-N 3.12Å; G102-T104 PolarHBondContact O-N 3.31Å
103	L	95.4	Very high	96.2	Very high	27 Å²	27	55.4 Å²	55.4	14%	0.141	33%	0.329	C	S	.	.	S	Bend	trans	-80.4	63.1	178.7	-62.9	176.9	0	0	0	112.1	F83 M84 A92 T99	F83-L103 HydrophobicContact CB-CD1 4.03Å; F83-L103 HydrophobicContact CD2-CD1 4.09Å; F83-L103 HydrophobicContact CD2-CD2 3.67Å; F83-L103 HydrophobicContact CE2-CD2 4.15Å; F83-L103 HydrophobicContact CG-CD1 4.4Å; M84-L103 HydrophobicContact CG-CD2 4.21Å; A92-L103 HydrophobicContact CB-CD2 4.08Å; T99-L103 WeakPolarHBondContact O-CG 3.37Å; T99-L103 PolarHBondContact O-N 3.19Å
104	T	97.3	Very high	96.3	Very high	41 Å²	41	58 Å²	58	25%	0.252	34%	0.341	S	S	.	.	S	Bend	trans	-131.8	158.7	-176.3	-174.8	0	0	0	0	112.4	D88 S89 S90 L91 S101 G102 D106	D88-T104 CarbonylContact O-C 3.39Å; S89-T104 CarbonylContact C-O 3.4Å; S90-T104 PolarHBondContact N-O 2.9Å; L91-T104 HydrophobicContact CB-CG2 3.92Å; L91-T104 HydrophobicContact CD2-CG2 3.65Å; L91-T104 HydrophobicContact CG-CG2 4.44Å; L91-T104 PolarHBondContact N-O 3.31Å; L91-T104 VanDerWaalsContact N-O 3.17Å; S101-T104 WeakPolarHBondContact O-CG2 3.25Å; G102-T104 PolarHBondContact O-N 3.31Å; T104-D106 VanDerWaalsContact C-N 3.32Å; T104-D106 HydrophobicContact CG2-CB 4.23Å; T104-D106 PolarHBondContact OG1-N 2.86Å
105	D	98.2	Very high	96.3	Very high	5 Å²	5	56.2 Å²	56.2	3%	0.027	33%	0.332	C	S	.	.	S	Bend	trans	-84.6	-6.8	171.4	73.2	-6.8	0	0	0	112.7	R42 D88 V107 R138 F139	R42-D105 IonicContact CZ-OD2 3.46Å; R42-D105 IonicContact NH1-OD1 3.45Å; R42-D105 PolarHBondContact NH1-OD1 2.81Å; R42-D105 IonicContact NH1-OD2 2.72Å; R42-D105 PolarHBondContact NH1-OD2 3.16Å; R42-D105 IonicContact NH2-OD2 3.73Å; D88-D105 HydrophobicContact CB-CB 3.88Å; D105-V107 PolarHBondContact O-N 2.93Å; D105-R138 WeakPolarHBondContact O-CD 3.31Å; D105-R138 IonicContact OD1-CZ 2.74Å; D105-R138 IonicContact OD1-NE 2.93Å; D105-R138 PolarHBondContact OD1-NE 2.8Å; D105-R138 IonicContact OD1-NH2 3.33Å; D105-R138 WeakPolarHBondContact OD2-CB 3.28Å; D105-R138 IonicContact OD2-NE 3.9Å; D105-F139 HydrophobicContact CB-CE2 4.02Å; D105-F139 WeakPolarHBondContact O-CE2 3.27Å; D105-F139 WeakPolarHBondContact O-CZ 3.48Å
106	D	98.1	Very high	96.4	Very high	47 Å²	47	53.3 Å²	53.3	25%	0.251	31%	0.314	S	S	.	.			trans	-78	108.5	-179.3	-158.6	-28.9	0	0	0	111.8	T104 S108 R138	T104-D106 VanDerWaalsContact C-N 3.32Å; T104-D106 HydrophobicContact CG2-CB 4.23Å; T104-D106 PolarHBondContact OG1-N 2.86Å; D106-S108 VanDerWaalsContact OD1-CB 3.25Å; D106-S108 WeakPolarHBondContact OD1-CB 3.48Å; D106-S108 PolarHBondContact OD1-N 3.38Å; D106-S108 PolarHBondContact OD1-OG 2.96Å; D106-R138 VanDerWaalsContact CG-CZ 3.45Å; D106-R138 VanDerWaalsContact CG-NH2 3.27Å; D106-R138 IonicContact OD1-CZ 3.26Å; D106-R138 IonicContact OD1-NH1 2.69Å; D106-R138 IonicContact OD2-CZ 3.31Å; D106-R138 VanDerWaalsContact OD2-CZ 3.29Å; D106-R138 IonicContact OD2-NH1 3.68Å; D106-R138 PolarHBondContact OD2-NH1 2.86Å; D106-R138 IonicContact OD2-NH2 2.76Å; D106-R138 PolarHBondContact OD2-NH2 3.08Å
107	V	98.4	Very high	96.5	Very high	7 Å²	7	53 Å²	53	4%	0.042	31%	0.308	C	S	.	.			trans	-108.2	12.6	179.9	-60.7	0	0	0	0	113	L62 D105 S109 L110 L118 F139 V153	L62-V107 HydrophobicContact CD2-CG1 4.24Å; L62-V107 HydrophobicContact CD2-CG2 4.05Å; D105-V107 PolarHBondContact O-N 2.93Å; V107-S109 PolarHBondContact O-N 2.84Å; V107-S109 VanDerWaalsContact O-N 3.1Å; V107-L110 HydrophobicContact CB-CD1 3.86Å; V107-L110 HydrophobicContact CB-CG 4.1Å; V107-L110 HydrophobicContact CG1-CD1 4.1Å; V107-L110 WeakPolarHBondContact O-CB 3.43Å; V107-L110 PolarHBondContact O-N 3.49Å; V107-L118 HydrophobicContact CB-CD2 4.47Å; V107-L118 HydrophobicContact CG1-CD2 3.83Å; V107-F139 HydrophobicContact CG2-CE1 4.17Å; V107-F139 HydrophobicContact CG2-CZ 3.97Å; V107-V153 HydrophobicContact CG2-CG2 3.52Å
108	S	97.4	Very high	96.7	Very high	103 Å²	103	50.3 Å²	50.3	72%	0.72	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-17.9	-177.4	58.3	0	0	0	0	114.1	D106	D106-S108 VanDerWaalsContact OD1-CB 3.25Å; D106-S108 WeakPolarHBondContact OD1-CB 3.48Å; D106-S108 PolarHBondContact OD1-N 3.38Å; D106-S108 PolarHBondContact OD1-OG 2.96Å
109	S	97.2	Very high	96.9	Very high	86 Å²	86	48.2 Å²	48.2	60%	0.601	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-11.9	175.9	58.5	0	0	0	0	114.1	V107	V107-S109 PolarHBondContact O-N 2.84Å; V107-S109 VanDerWaalsContact O-N 3.1Å
110	L	98.4	Very high	97.1	Very high	16 Å²	16	48.6 Å²	48.6	8%	0.084	28%	0.283	C	S	.	.			trans	-75.1	136.6	-176.9	-62.7	-170.4	0	0	0	111.6	L91 I94 V107 E114 V115 L118	L91-L110 HydrophobicContact CD1-CD2 3.64Å; L91-L110 HydrophobicContact CD1-CG 4.04Å; I94-L110 HydrophobicContact CB-CD1 4.34Å; I94-L110 HydrophobicContact CB-CD2 4.06Å; I94-L110 HydrophobicContact CG1-CD1 3.87Å; I94-L110 HydrophobicContact CG1-CD2 4.47Å; I94-L110 HydrophobicContact CG2-CD2 3.81Å; V107-L110 HydrophobicContact CB-CD1 3.86Å; V107-L110 HydrophobicContact CB-CG 4.1Å; V107-L110 HydrophobicContact CG1-CD1 4.1Å; V107-L110 WeakPolarHBondContact O-CB 3.43Å; V107-L110 PolarHBondContact O-N 3.49Å; L110-E114 HydrophobicContact CB-CB 4.05Å; L110-E114 HydrophobicContact CD2-CB 4.21Å; L110-V115 HydrophobicContact CB-CG2 3.94Å; L110-L118 HydrophobicContact CD1-CD2 3.96Å
111	S	98.4	Very high	97.5	Very high	48 Å²	48	45 Å²	45	34%	0.336	26%	0.261	S	S	.	.			trans	-69.1	160.6	168.2	67.4	0	0	0	0	111.6	L113 E114 V115	S111-L113 VanDerWaalsContact C-N 3.26Å; S111-L113 PolarHBondContact O-N 3.35Å; S111-E114 VanDerWaalsContact CB-OE2 3.27Å; S111-E114 WeakPolarHBondContact CB-OE2 3.29Å; S111-E114 PolarHBondContact N-OE2 2.85Å; S111-E114 WeakPolarHBondContact O-CA 3.36Å; S111-E114 WeakPolarHBondContact O-CB 3.33Å; S111-E114 PolarHBondContact O-N 2.93Å; S111-E114 WeakPolarHBondContact OG-CG 3.39Å; S111-E114 PolarHBondContact OG-N 3.4Å; S111-E114 PolarHBondContact OG-OE2 3.36Å; S111-V115 PolarHBondContact O-N 3.12Å
112	P	98.6	Very high	97.8	Very high	30 Å²	30	40.8 Å²	40.8	20%	0.195	23%	0.232	C	C	.	.	H	α-helix	trans	-54.5	-38.1	177.1	-29.3	36.3	0	0	0	114.3	V115 V116 S156 E159 G160 L163	P112-V115 PolarHBondContact O-N 2.94Å; P112-V116 WeakPolarHBondContact O-CG2 3.33Å; P112-V116 PolarHBondContact O-N 3.04Å; P112-V116 VanDerWaalsContact O-N 3.13Å; P112-S156 WeakPolarHBondContact CA-OG 3.39Å; P112-S156 WeakPolarHBondContact CB-O 3.42Å; P112-E159 HydrophobicContact CB-CB 4.27Å; P112-E159 HydrophobicContact CB-CG 4.14Å; P112-E159 HydrophobicContact CG-CG 4.16Å; P112-G160 WeakPolarHBondContact O-CA 3.49Å; P112-L163 HydrophobicContact CB-CD1 4.18Å
113	L	98.1	Very high	98.1	Very high	91 Å²	91	44.5 Å²	44.5	48%	0.476	25%	0.251	S	S	.	.	H	α-helix	trans	-70.2	-33	177	-69.4	175.7	0	0	0	112.6	S111 V116 A117 L163 K164	S111-L113 VanDerWaalsContact C-N 3.26Å; S111-L113 PolarHBondContact O-N 3.35Å; L113-V116 WeakPolarHBondContact O-CB 3.47Å; L113-V116 PolarHBondContact O-N 3.49Å; L113-A117 PolarHBondContact O-N 3.09Å; L113-L163 HydrophobicContact CD2-CB 4.04Å; L113-K164 HydrophobicContact CD2-CB 4.05Å
114	E	98.6	Very high	98.2	Very high	77 Å²	77	47.1 Å²	47.1	36%	0.36	26%	0.262	S	S	.	.	H	α-helix	trans	-70.8	-35.3	173.6	-77.3	166.4	138.5	0	0	111.8	I94 L110 S111 V116 A117 L118	I94-E114 HydrophobicContact CG2-CB 3.93Å; I94-E114 HydrophobicContact CG2-CG 3.87Å; L110-E114 HydrophobicContact CB-CB 4.05Å; L110-E114 HydrophobicContact CD2-CB 4.21Å; S111-E114 VanDerWaalsContact CB-OE2 3.27Å; S111-E114 WeakPolarHBondContact CB-OE2 3.29Å; S111-E114 PolarHBondContact N-OE2 2.85Å; S111-E114 WeakPolarHBondContact O-CA 3.36Å; S111-E114 WeakPolarHBondContact O-CB 3.33Å; S111-E114 PolarHBondContact O-N 2.93Å; S111-E114 WeakPolarHBondContact OG-CG 3.39Å; S111-E114 PolarHBondContact OG-N 3.4Å; S111-E114 PolarHBondContact OG-OE2 3.36Å; E114-V116 VanDerWaalsContact C-N 3.31Å; E114-V116 PolarHBondContact O-N 3.46Å; E114-A117 WeakPolarHBondContact O-CB 3.33Å; E114-A117 PolarHBondContact O-N 2.91Å; E114-A117 VanDerWaalsContact O-N 3.15Å; E114-L118 PolarHBondContact O-N 3.42Å
115	V	98.8	Very high	98.3	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.012	25%	0.25	C	S	.	.	H	α-helix	trans	-61.8	-39.7	171	175.1	0	0	0	0	110.9	L110 S111 P112 A117 L118 Y119 V153 L157	L110-V115 HydrophobicContact CB-CG2 3.94Å; S111-V115 PolarHBondContact O-N 3.12Å; P112-V115 PolarHBondContact O-N 2.94Å; V115-A117 VanDerWaalsContact C-N 3.32Å; V115-A117 PolarHBondContact O-N 2.75Å; V115-L118 WeakPolarHBondContact O-CB 3.35Å; V115-L118 PolarHBondContact O-N 2.86Å; V115-L118 VanDerWaalsContact O-N 3.1Å; V115-Y119 HydrophobicContact CG1-CD2 3.97Å; V115-Y119 HydrophobicContact CG1-CE2 3.98Å; V115-Y119 WeakPolarHBondContact O-CD2 3.09Å; V115-Y119 PolarHBondContact O-N 3.02Å; V115-V153 HydrophobicContact CG1-CG1 4Å; V115-L157 HydrophobicContact CG1-CB 3.87Å; V115-L157 HydrophobicContact CG1-CD1 4.49Å
116	V	98.8	Very high	98.3	Very high	8 Å²	8	48.9 Å²	48.9	5%	0.048	27%	0.267	C	S	.	.	H	α-helix	trans	-57	-46.8	171.8	176.8	0	0	0	0	111	P112 L113 E114 L118 Y119 D120 L157 G160 Q161 K164	P112-V116 WeakPolarHBondContact O-CG2 3.33Å; P112-V116 PolarHBondContact O-N 3.04Å; P112-V116 VanDerWaalsContact O-N 3.13Å; L113-V116 WeakPolarHBondContact O-CB 3.47Å; L113-V116 PolarHBondContact O-N 3.49Å; E114-V116 VanDerWaalsContact C-N 3.31Å; E114-V116 PolarHBondContact O-N 3.46Å; V116-L118 PolarHBondContact O-N 3.12Å; V116-Y119 PolarHBondContact O-N 3.23Å; V116-D120 PolarHBondContact O-N 3.31Å; V116-L157 HydrophobicContact CB-CD1 4.39Å; V116-L157 HydrophobicContact CG2-CD1 3.99Å; V116-G160 VanDerWaalsContact CG2-C 3.4Å; V116-Q161 HydrophobicContact CG2-CG 4.14Å; V116-K164 HydrophobicContact CG1-CD 3.98Å
117	A	98.6	Very high	98.2	Very high	35 Å²	35	54.2 Å²	54.2	29%	0.289	29%	0.287	S	S	.	.	H	α-helix	trans	-63.3	-30.8	177.7	0	0	0	0	0	112.6	I94 L113 E114 V115 D120 W121	I94-A117 HydrophobicContact CD1-CB 3.87Å; L113-A117 PolarHBondContact O-N 3.09Å; E114-A117 WeakPolarHBondContact O-CB 3.33Å; E114-A117 PolarHBondContact O-N 2.91Å; E114-A117 VanDerWaalsContact O-N 3.15Å; V115-A117 VanDerWaalsContact C-N 3.32Å; V115-A117 PolarHBondContact O-N 2.75Å; A117-D120 WeakPolarHBondContact O-CB 3.05Å; A117-D120 PolarHBondContact O-N 2.84Å; A117-W121 PolarHBondContact O-N 3.28Å; A117-W121 VanDerWaalsContact O-N 3.1Å
118	L	98.8	Very high	98.2	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-70.3	-39.2	176.9	-178	57.9	0	0	0	111.3	I61 L62 S90 F93 I94 V107 L110 E114 V115 V116 W121 M122	I61-L118 HydrophobicContact CG2-CD1 3.75Å; L62-L118 HydrophobicContact CD1-CD2 4.06Å; L62-L118 HydrophobicContact CD1-CG 4.22Å; L62-L118 HydrophobicContact CD2-CD2 3.63Å; L62-L118 HydrophobicContact CG-CD2 3.89Å; L62-L118 HydrophobicContact CG-CG 4.29Å; S90-L118 WeakPolarHBondContact O-CD1 3.36Å; F93-L118 HydrophobicContact CB-CD1 3.96Å; I94-L118 HydrophobicContact CD1-CB 3.92Å; I94-L118 HydrophobicContact CD1-CD1 4.48Å; I94-L118 HydrophobicContact CG1-CB 3.96Å; I94-L118 HydrophobicContact CG1-CD1 4.27Å; V107-L118 HydrophobicContact CB-CD2 4.47Å; V107-L118 HydrophobicContact CG1-CD2 3.83Å; L110-L118 HydrophobicContact CD1-CD2 3.96Å; E114-L118 PolarHBondContact O-N 3.42Å; V115-L118 WeakPolarHBondContact O-CB 3.35Å; V115-L118 PolarHBondContact O-N 2.86Å; V115-L118 VanDerWaalsContact O-N 3.1Å; V116-L118 PolarHBondContact O-N 3.12Å; L118-W121 WeakPolarHBondContact O-CB 3.28Å; L118-W121 PolarHBondContact O-N 3.36Å; L118-M122 PolarHBondContact O-N 3.13Å
119	Y	98.7	Very high	98.2	Very high	41 Å²	41	54 Å²	54	16%	0.161	27%	0.273	C	S	.	.	H	α-helix	trans	-68.8	-33	171.7	-85.7	-98	0	0	0	112.4	L62 V115 V116 W121 M122 D123 V153 E154 L157	L62-Y119 HydrophobicContact CD1-CD2 4.07Å; L62-Y119 HydrophobicContact CD1-CE2 3.54Å; V115-Y119 HydrophobicContact CG1-CD2 3.97Å; V115-Y119 HydrophobicContact CG1-CE2 3.98Å; V115-Y119 WeakPolarHBondContact O-CD2 3.09Å; V115-Y119 PolarHBondContact O-N 3.02Å; V116-Y119 PolarHBondContact O-N 3.23Å; Y119-W121 VanDerWaalsContact C-N 3.27Å; Y119-W121 PolarHBondContact O-N 3.1Å; Y119-M122 WeakPolarHBondContact O-CB 3.23Å; Y119-M122 PolarHBondContact O-N 3.41Å; Y119-M122 VanDerWaalsContact O-N 3.12Å; Y119-D123 PolarHBondContact O-N 3.39Å; Y119-V153 HydrophobicContact CE2-CG1 3.81Å; Y119-E154 WeakPolarHBondContact OH-CG 3.42Å; Y119-L157 HydrophobicContact CD1-CD2 3.67Å; Y119-L157 HydrophobicContact CD2-CB 4.32Å; Y119-L157 HydrophobicContact CD2-CD1 3.79Å; Y119-L157 HydrophobicContact CD2-CD2 3.79Å; Y119-L157 HydrophobicContact CD2-CG 4.17Å; Y119-L157 HydrophobicContact CE1-CD2 3.7Å; Y119-L157 HydrophobicContact CE2-CB 4.15Å; Y119-L157 HydrophobicContact CE2-CD1 4.43Å; Y119-L157 HydrophobicContact CE2-CD2 3.81Å; Y119-L157 HydrophobicContact CE2-CG 4.35Å; Y119-L157 HydrophobicContact CG-CD1 3.9Å; Y119-L157 HydrophobicContact CG-CD2 3.7Å; Y119-L157 HydrophobicContact CG-CG 4.37Å
120	D	98.4	Very high	98.2	Very high	84 Å²	84	56.2 Å²	56.2	45%	0.449	28%	0.275	S	S	.	.	H	α-helix	trans	-60.4	-39.1	171.5	-70.6	-26.2	0	0	0	110.9	V116 A117 F124 K164	V116-D120 PolarHBondContact O-N 3.31Å; A117-D120 WeakPolarHBondContact O-CB 3.05Å; A117-D120 PolarHBondContact O-N 2.84Å; D120-F124 PolarHBondContact O-N 2.82Å; D120-F124 VanDerWaalsContact O-N 3.11Å; D120-K164 IonicContact OD2-NZ 3.63Å
121	W	98.4	Very high	98.2	Very high	105 Å²	105	58.9 Å²	58.9	40%	0.398	29%	0.286	S	S	.	.	H	α-helix	trans	-64.5	-45.8	170	-83.3	116.2	0	0	0	112.2	F93 A117 L118 Y119 D123 F124 Y125	F93-W121 HydrophobicContact CB-CG 4.33Å; F93-W121 HydrophobicContact CD1-CB 4.29Å; F93-W121 AromaticContact CD1-CD2 3.88Å; F93-W121 HydrophobicContact CD1-CD2 3.88Å; F93-W121 HydrophobicContact CD1-CE3 4.21Å; F93-W121 AromaticContact CD1-CG 3.93Å; F93-W121 HydrophobicContact CD1-CG 3.93Å; F93-W121 HydrophobicContact CE1-CE3 4.44Å; F93-W121 PolarHBondContact O-NE1 3.49Å; F93-W121 VanDerWaalsContact O-NE1 3.12Å; A117-W121 PolarHBondContact O-N 3.28Å; A117-W121 VanDerWaalsContact O-N 3.1Å; L118-W121 WeakPolarHBondContact O-CB 3.28Å; L118-W121 PolarHBondContact O-N 3.36Å; Y119-W121 VanDerWaalsContact C-N 3.27Å; Y119-W121 PolarHBondContact O-N 3.1Å; W121-D123 VanDerWaalsContact C-N 3.3Å; W121-D123 PolarHBondContact O-N 2.84Å; W121-F124 AromaticContact CE3-CD1 3.99Å; W121-F124 HydrophobicContact CE3-CD1 3.99Å; W121-F124 HydrophobicContact CZ3-CD1 4.04Å; W121-F124 HydrophobicContact CZ3-CE1 4.22Å; W121-F124 WeakPolarHBondContact O-CB 3.33Å; W121-F124 PolarHBondContact O-N 2.9Å; W121-F124 VanDerWaalsContact O-N 3.12Å; W121-Y125 HydrophobicContact CE3-CD2 4.48Å; W121-Y125 HydrophobicContact CE3-CE2 4.06Å; W121-Y125 WeakPolarHBondContact O-CD2 3.42Å; W121-Y125 PolarHBondContact O-N 3.02Å
122	M	97.9	Very high	98.1	Very high	2 Å²	2	58 Å²	58	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-55	-46.6	176.5	-171	70.3	76.3	0	0	111.9	I61 L62 Q64 F66 L118 Y119 F124 Y125 H126	I61-M122 HydrophobicContact CB-CE 3.76Å; I61-M122 HydrophobicContact CB-SD 4.03Å; I61-M122 HydrophobicContact CG2-CE 3.77Å; I61-M122 HydrophobicContact CG2-SD 4.39Å; I61-M122 WeakPolarHBondContact O-CE 3.35Å; L62-M122 HydrophobicContact CB-CE 3.56Å; L62-M122 HydrophobicContact CD1-CE 3.97Å; L62-M122 HydrophobicContact CG-CE 3.94Å; Q64-M122 HydrophobicContact CB-CE 4.3Å; Q64-M122 HydrophobicContact CB-SD 4.03Å; Q64-M122 HydrophobicContact CG-CE 4.24Å; Q64-M122 HydrophobicContact CG-SD 4.28Å; Q64-M122 PolarHBondContact NE2-SD 3.12Å; F66-M122 HydrophobicContact CE2-SD 3.65Å; F66-M122 HydrophobicContact CZ-SD 3.66Å; L118-M122 PolarHBondContact O-N 3.13Å; Y119-M122 WeakPolarHBondContact O-CB 3.23Å; Y119-M122 PolarHBondContact O-N 3.41Å; Y119-M122 VanDerWaalsContact O-N 3.12Å; M122-F124 VanDerWaalsContact C-N 3.31Å; M122-F124 PolarHBondContact O-N 3.43Å; M122-Y125 PolarHBondContact O-N 3.37Å; M122-Y125 VanDerWaalsContact O-N 3.08Å; M122-H126 PolarHBondContact O-CD2 3.17Å; M122-H126 PolarHBondContact O-N 3.25Å
123	D	98.2	Very high	98.1	Very high	79 Å²	79	56.6 Å²	56.6	42%	0.422	27%	0.27	S	S	.	.	H	α-helix	trans	-61.4	-39.6	177.3	-83.7	-1.9	0	0	0	112.1	Y119 W121 K127	Y119-D123 PolarHBondContact O-N 3.39Å; W121-D123 VanDerWaalsContact C-N 3.3Å; W121-D123 PolarHBondContact O-N 2.84Å; D123-K127 WeakPolarHBondContact O-CD 3.22Å; D123-K127 VanDerWaalsContact O-CG 3.25Å; D123-K127 WeakPolarHBondContact O-CG 3.45Å; D123-K127 PolarHBondContact O-N 3.19Å
124	F	97.9	Very high	98.1	Very high	83 Å²	83	53 Å²	53	36%	0.364	25%	0.251	S	S	.	.	H	α-helix	trans	-61.3	-44.9	172.2	170.4	-95.6	0	0	0	111	D120 W121 M122 K127 E128 Y129	D120-F124 PolarHBondContact O-N 2.82Å; D120-F124 VanDerWaalsContact O-N 3.11Å; W121-F124 AromaticContact CE3-CD1 3.99Å; W121-F124 HydrophobicContact CE3-CD1 3.99Å; W121-F124 HydrophobicContact CZ3-CD1 4.04Å; W121-F124 HydrophobicContact CZ3-CE1 4.22Å; W121-F124 WeakPolarHBondContact O-CB 3.33Å; W121-F124 PolarHBondContact O-N 2.9Å; W121-F124 VanDerWaalsContact O-N 3.12Å; M122-F124 VanDerWaalsContact C-N 3.31Å; M122-F124 PolarHBondContact O-N 3.43Å; F124-K127 PolarHBondContact O-N 3.02Å; F124-K127 VanDerWaalsContact O-N 3.16Å; F124-E128 HydrophobicContact CD1-CG 4.47Å; F124-E128 HydrophobicContact CD2-CG 3.9Å; F124-E128 HydrophobicContact CE1-CB 4.42Å; F124-E128 HydrophobicContact CE1-CG 4.1Å; F124-E128 HydrophobicContact CE2-CG 3.47Å; F124-E128 VanDerWaalsContact CE2-CG 3.47Å; F124-E128 HydrophobicContact CG-CG 4.39Å; F124-E128 HydrophobicContact CZ-CB 4.33Å; F124-E128 HydrophobicContact CZ-CG 3.59Å; F124-E128 WeakPolarHBondContact O-CB 3.39Å; F124-E128 WeakPolarHBondContact O-CG 3.4Å; F124-E128 PolarHBondContact O-N 3.04Å; F124-Y129 HydrophobicContact CE1-CE2 4.28Å
125	Y	98.2	Very high	98.1	Very high	3 Å²	3	49.6 Å²	49.6	1%	0.012	24%	0.236	C	C	.	.	H	α-helix	trans	-66.5	-39.6	179.7	-89	-100.4	0	0	0	113.1	L59 I61 F66 V68 Y75 F93 W121 M122 K127 E128 Y129	L59-Y125 HydrophobicContact CD1-CD1 4.16Å; L59-Y125 HydrophobicContact CD1-CE1 3.69Å; L59-Y125 HydrophobicContact CD2-CE1 3.94Å; L59-Y125 HydrophobicContact CG-CE1 4.18Å; I61-Y125 HydrophobicContact CD1-CD1 4.06Å; I61-Y125 HydrophobicContact CD1-CD2 3.39Å; I61-Y125 HydrophobicContact CD1-CE1 4.27Å; I61-Y125 HydrophobicContact CD1-CE2 3.61Å; I61-Y125 HydrophobicContact CD1-CG 3.62Å; F66-Y125 HydrophobicContact CB-CD1 4.27Å; F66-Y125 HydrophobicContact CD2-CD1 4.22Å; F66-Y125 HydrophobicContact CG-CD1 4.14Å; V68-Y125 HydrophobicContact CG1-CD1 4.4Å; V68-Y125 HydrophobicContact CG1-CE1 3.97Å; Y75-Y125 PolarHBondContact OH-OH 2.55Å; F93-Y125 HydrophobicContact CD1-CE2 4.36Å; F93-Y125 HydrophobicContact CE1-CD2 4.47Å; F93-Y125 AromaticContact CE1-CE2 3.43Å; F93-Y125 HydrophobicContact CE1-CE2 3.43Å; F93-Y125 VanDerWaalsContact CE1-CE2 3.43Å; F93-Y125 AromaticContact CE1-CZ 3.65Å; F93-Y125 VanDerWaalsContact CE1-OH 3.27Å; F93-Y125 WeakPolarHBondContact CE1-OH 3.45Å; F93-Y125 AromaticContact CZ-CE2 3.87Å; F93-Y125 HydrophobicContact CZ-CE2 3.87Å; F93-Y125 AromaticContact CZ-CZ 3.71Å; F93-Y125 WeakPolarHBondContact CZ-OH 3.39Å; W121-Y125 HydrophobicContact CE3-CD2 4.48Å; W121-Y125 HydrophobicContact CE3-CE2 4.06Å; W121-Y125 WeakPolarHBondContact O-CD2 3.42Å; W121-Y125 PolarHBondContact O-N 3.02Å; M122-Y125 PolarHBondContact O-N 3.37Å; M122-Y125 VanDerWaalsContact O-N 3.08Å; Y125-K127 PolarHBondContact O-N 3.1Å; Y125-E128 PolarHBondContact O-N 3.27Å; Y125-Y129 AromaticContact CD1-CD2 3.26Å; Y125-Y129 HydrophobicContact CD1-CD2 3.26Å; Y125-Y129 AromaticContact CD1-CE2 3.72Å; Y125-Y129 HydrophobicContact CD1-CE2 3.72Å; Y125-Y129 HydrophobicContact CD1-CG 4.18Å; Y125-Y129 AromaticContact CE1-CD2 3.61Å; Y125-Y129 HydrophobicContact CE1-CD2 3.61Å; Y125-Y129 AromaticContact CE1-CE2 3.58Å; Y125-Y129 HydrophobicContact CE1-CE2 3.58Å; Y125-Y129 AromaticContact CG-CD2 3.9Å; Y125-Y129 HydrophobicContact CG-CD2 3.9Å; Y125-Y129 HydrophobicContact CG-CE2 4.34Å; Y125-Y129 WeakPolarHBondContact O-CA 3.5Å; Y125-Y129 PolarHBondContact O-N 3.48Å
126	H	97.8	Very high	98.1	Very high	79 Å²	79	51.3 Å²	51.3	37%	0.366	25%	0.246	S	C	.	.	H	α-helix	trans	-61	-31	172.3	-80.8	-61.5	0	0	0	113.3	Q64 F66 M122	Q64-H126 PolarHBondContact NE2-NE2 3.05Å; Q64-H126 PolarHBondContact OE1-CE1 2.82Å; Q64-H126 PolarHBondContact OE1-NE2 2.89Å; Q64-H126 VanDerWaalsContact OE1-NE2 3.13Å; F66-H126 AromaticContact CE1-CE1 3.85Å; F66-H126 AromaticContact CE1-CG 3.97Å; F66-H126 AromaticContact CE1-ND1 3.58Å; F66-H126 AromaticContact CZ-CE1 3.74Å; F66-H126 AromaticContact CZ-ND1 3.89Å; F66-H126 AromaticContact CZ-NE2 3.92Å; M122-H126 PolarHBondContact O-CD2 3.17Å; M122-H126 PolarHBondContact O-N 3.25Å
127	K	97.6	Very high	98	Very high	159 Å²	159	52.5 Å²	52.5	69%	0.691	26%	0.259	S	S	*	.	H	α-helix	trans	-79.7	-39	176.9	-70.1	165.2	-169.4	162.8	0	112.1	D123 F124 Y125	D123-K127 WeakPolarHBondContact O-CD 3.22Å; D123-K127 VanDerWaalsContact O-CG 3.25Å; D123-K127 WeakPolarHBondContact O-CG 3.45Å; D123-K127 PolarHBondContact O-N 3.19Å; F124-K127 PolarHBondContact O-N 3.02Å; F124-K127 VanDerWaalsContact O-N 3.16Å; Y125-K127 PolarHBondContact O-N 3.1Å
128	E	97.3	Very high	98	Very high	75 Å²	75	54.7 Å²	54.7	35%	0.35	26%	0.26	S	S	.	.	H	α-helix	trans	-92.8	-29.6	-170.1	-72.5	-55	140.7	0	0	114.9	K70 F124 Y125	K70-E128 WeakPolarHBondContact CD-O 3.42Å; K70-E128 PolarHBondContact NZ-O 3.22Å; K70-E128 IonicContact NZ-OE2 3.99Å; K70-E128 PolarHBondContact NZ-OE2 2.63Å; F124-E128 HydrophobicContact CD1-CG 4.47Å; F124-E128 HydrophobicContact CD2-CG 3.9Å; F124-E128 HydrophobicContact CE1-CB 4.42Å; F124-E128 HydrophobicContact CE1-CG 4.1Å; F124-E128 HydrophobicContact CE2-CG 3.47Å; F124-E128 VanDerWaalsContact CE2-CG 3.47Å; F124-E128 HydrophobicContact CG-CG 4.39Å; F124-E128 HydrophobicContact CZ-CB 4.33Å; F124-E128 HydrophobicContact CZ-CG 3.59Å; F124-E128 WeakPolarHBondContact O-CB 3.39Å; F124-E128 WeakPolarHBondContact O-CG 3.4Å; F124-E128 PolarHBondContact O-N 3.04Å; Y125-E128 PolarHBondContact O-N 3.27Å
129	Y	97.8	Very high	98	Very high	30 Å²	30	54.9 Å²	54.9	12%	0.118	26%	0.261	C	S	.	.	S	Bend	trans	-127.8	159.3	-171.1	-58.6	-72.1	0	0	0	111.5	V68 K70 Y75 F124 Y125 H131	V68-Y129 HydrophobicContact CB-CD1 4.07Å; V68-Y129 HydrophobicContact CB-CE1 4.1Å; V68-Y129 HydrophobicContact CG1-CD1 3.94Å; V68-Y129 HydrophobicContact CG1-CD2 4.27Å; V68-Y129 HydrophobicContact CG1-CE1 4.22Å; V68-Y129 HydrophobicContact CG1-CG 3.96Å; K70-Y129 HydrophobicContact CB-CD1 4.28Å; K70-Y129 HydrophobicContact CB-CE1 4.24Å; Y75-Y129 HydrophobicContact CE2-CE1 4.41Å; Y75-Y129 AromaticContact CE2-CZ 3.93Å; Y75-Y129 WeakPolarHBondContact CE2-OH 3.48Å; Y75-Y129 PolarHBondContact OH-OH 2.78Å; F124-Y129 HydrophobicContact CE1-CE2 4.28Å; Y125-Y129 AromaticContact CD1-CD2 3.26Å; Y125-Y129 HydrophobicContact CD1-CD2 3.26Å; Y125-Y129 AromaticContact CD1-CE2 3.72Å; Y125-Y129 HydrophobicContact CD1-CE2 3.72Å; Y125-Y129 HydrophobicContact CD1-CG 4.18Å; Y125-Y129 AromaticContact CE1-CD2 3.61Å; Y125-Y129 HydrophobicContact CE1-CD2 3.61Å; Y125-Y129 AromaticContact CE1-CE2 3.58Å; Y125-Y129 HydrophobicContact CE1-CE2 3.58Å; Y125-Y129 AromaticContact CG-CD2 3.9Å; Y125-Y129 HydrophobicContact CG-CD2 3.9Å; Y125-Y129 HydrophobicContact CG-CE2 4.34Å; Y125-Y129 WeakPolarHBondContact O-CA 3.5Å; Y125-Y129 PolarHBondContact O-N 3.48Å; Y129-H131 PolarHBondContact O-N 3.21Å
130	Q	97.4	Very high	98	Very high	134 Å²	134	54.2 Å²	54.2	63%	0.626	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.5	121.1	178.5	-176.6	178.9	-10.6	0	0	109.5	F66 D67 V132	F66-Q130 CarbonylContact C-O 3.4Å; F66-Q130 VanDerWaalsContact CA-O 3.32Å; F66-Q130 WeakPolarHBondContact CA-O 3.41Å; D67-Q130 HydrophobicContact CB-CB 4.39Å; D67-Q130 PolarHBondContact N-O 3.48Å; Q130-V132 HydrophobicContact CB-CG1 4.39Å; Q130-V132 HydrophobicContact CG-CG1 3.9Å; Q130-V132 PolarHBondContact O-N 2.8Å
131	H	97.8	Very high	98	Very high	71 Å²	71	53.2 Å²	53.2	33%	0.329	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	124	167.1	179.3	-116.8	0	0	0	109.7	V65 F66 Y129 G133	V65-H131 PolarHBondContact O-CD2 3.01Å; V65-H131 VanDerWaalsContact O-CD2 3.32Å; F66-H131 HydrophobicContact CD1-CB 4.17Å; F66-H131 HydrophobicContact CE1-CB 3.94Å; Y129-H131 PolarHBondContact O-N 3.21Å; H131-G133 PolarHBondContact NE2-O 2.81Å
132	V	97.3	Very high	97.9	Very high	30 Å²	30	56.1 Å²	56.1	18%	0.182	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	-8.4	-171.1	-67.1	0	0	0	0	114.3	R38 Y58 V65 D67 Q130	R38-V132 WeakPolarHBondContact CB-O 3.28Å; Y58-V132 HydrophobicContact CD2-CG2 4.17Å; Y58-V132 HydrophobicContact CE1-CG2 4.41Å; Y58-V132 HydrophobicContact CE2-CG2 3.96Å; Y58-V132 HydrophobicContact CG-CG2 4.47Å; V65-V132 HydrophobicContact CB-CG2 4.17Å; V65-V132 HydrophobicContact CG1-CG2 3.74Å; V65-V132 WeakPolarHBondContact O-CG2 3.44Å; V65-V132 PolarHBondContact O-N 3.11Å; D67-V132 HydrophobicContact CB-CG1 3.89Å; Q130-V132 HydrophobicContact CB-CG1 4.39Å; Q130-V132 HydrophobicContact CG-CG1 3.9Å; Q130-V132 PolarHBondContact O-N 2.8Å
133	G	97.7	Very high	97.8	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.3	-171.6	-178.5	0	0	0	0	0	114.6	R38 V65 H131	R38-G133 CarbonylContact O-C 3.39Å; R38-G133 WeakPolarHBondContact O-CA 3.4Å; V65-G133 WeakPolarHBondContact CB-O 3.25Å; V65-G133 PolarHBondContact N-O 3.1Å; H131-G133 PolarHBondContact NE2-O 2.81Å
134	L	98.4	Very high	97.6	Very high	17 Å²	17	57.6 Å²	57.6	9%	0.089	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	150	177.7	-56.5	173.1	0	0	0	110.4	A37 R38 L39 L40 G63 Q64 Y140	A37-L134 HydrophobicContact CB-CD1 4.12Å; A37-L134 HydrophobicContact CB-CG 4.03Å; R38-L134 PolarHBondContact O-N 3.1Å; L39-L134 HydrophobicContact CD2-CB 3.9Å; L39-L134 HydrophobicContact CD2-CD1 4.16Å; L39-L134 HydrophobicContact CD2-CG 4.46Å; L40-L134 PolarHBondContact N-O 2.8Å; G63-L134 CarbonylContact O-C 3.32Å; G63-L134 WeakPolarHBondContact O-CA 3.37Å; Q64-L134 HydrophobicContact CG-CD2 4.1Å; L134-Y140 HydrophobicContact CB-CD2 4.06Å; L134-Y140 HydrophobicContact CB-CG 4.24Å; L134-Y140 HydrophobicContact CD1-CD1 3.8Å; L134-Y140 HydrophobicContact CD1-CD2 4.37Å; L134-Y140 HydrophobicContact CD1-CE1 4.01Å; L134-Y140 HydrophobicContact CD1-CG 3.98Å; L134-Y140 HydrophobicContact CD2-CD2 4.07Å; L134-Y140 HydrophobicContact CD2-CE1 4.19Å; L134-Y140 HydrophobicContact CD2-CE2 3.69Å; L134-Y140 HydrophobicContact CD2-CG 4.48Å; L134-Y140 HydrophobicContact CG-CD2 4.39Å; L134-Y140 HydrophobicContact CG-CE2 4.47Å; L134-Y140 HydrophobicContact CG-CG 4.46Å
135	V	98.5	Very high	97.6	Very high	5 Å²	5	59.1 Å²	59.1	3%	0.03	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	119.8	170.3	-172.5	0	0	0	0	108.7	L40 R42 L45 A60 G63 V65 G137	L40-V135 CarbonylContact O-C 3.56Å; L40-V135 VanDerWaalsContact O-CA 3.29Å; L40-V135 WeakPolarHBondContact O-CA 3.4Å; R42-V135 HydrophobicContact CG-CG1 4.1Å; L45-V135 HydrophobicContact CD2-CG2 3.78Å; A60-V135 HydrophobicContact CB-CG2 3.64Å; G63-V135 PolarHBondContact O-N 3.28Å; V65-V135 HydrophobicContact CG2-CG2 3.48Å; V65-V135 VanDerWaalsContact CG2-CG2 3.48Å; V135-G137 PolarHBondContact O-N 2.74Å
136	V	98.4	Very high	97.6	Very high	38 Å²	38	61.8 Å²	61.8	23%	0.23	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-70.6	124.5	170	178.8	0	0	0	0	108.6	L39 L40 E142	L39-V136 HydrophobicContact CB-CG2 3.81Å; L39-V136 HydrophobicContact CD1-CG2 4.48Å; L40-V136 PolarHBondContact O-N 3.47Å; V136-E142 HydrophobicContact CG1-CG 4.01Å
137	G	97.4	Very high	97.6	Very high	32 Å²	32	59.3 Å²	59.3	33%	0.33	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	155.1	-118.4	-178.3	0	0	0	0	0	112.8	V135 Y140	V135-G137 PolarHBondContact O-N 2.74Å; G137-Y140 PolarHBondContact N-O 3.36Å
138	R	98.3	Very high	97.7	Very high	82 Å²	82	55 Å²	55	31%	0.309	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-45.6	-169.9	-179.7	176.2	-66.7	-90.8	5.3	112.7	D105 D106 T147 A149	D105-R138 WeakPolarHBondContact O-CD 3.31Å; D105-R138 IonicContact OD1-CZ 2.74Å; D105-R138 IonicContact OD1-NE 2.93Å; D105-R138 PolarHBondContact OD1-NE 2.8Å; D105-R138 IonicContact OD1-NH2 3.33Å; D105-R138 WeakPolarHBondContact OD2-CB 3.28Å; D105-R138 IonicContact OD2-NE 3.9Å; D106-R138 VanDerWaalsContact CG-CZ 3.45Å; D106-R138 VanDerWaalsContact CG-NH2 3.27Å; D106-R138 IonicContact OD1-CZ 3.26Å; D106-R138 IonicContact OD1-NH1 2.69Å; D106-R138 IonicContact OD2-CZ 3.31Å; D106-R138 VanDerWaalsContact OD2-CZ 3.29Å; D106-R138 IonicContact OD2-NH1 3.68Å; D106-R138 PolarHBondContact OD2-NH1 2.86Å; D106-R138 IonicContact OD2-NH2 2.76Å; D106-R138 PolarHBondContact OD2-NH2 3.08Å; R138-T147 WeakPolarHBondContact O-CB 3.39Å; R138-T147 PolarHBondContact O-OG1 3.33Å; R138-A149 HydrophobicContact CG-CB 4.02Å
139	F	98.6	Very high	97.7	Very high	3 Å²	3	52.7 Å²	52.7	1%	0.013	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-29	-170.9	-59.4	-64.9	0	0	0	114	L62 D105 V107 T147 L150 V153	L62-F139 HydrophobicContact CB-CD2 4.42Å; L62-F139 HydrophobicContact CB-CE2 4.38Å; L62-F139 HydrophobicContact CD2-CE1 3.8Å; L62-F139 HydrophobicContact CD2-CE2 3.98Å; L62-F139 HydrophobicContact CD2-CZ 3.47Å; L62-F139 VanDerWaalsContact CD2-CZ 3.47Å; D105-F139 HydrophobicContact CB-CE2 4.02Å; D105-F139 WeakPolarHBondContact O-CE2 3.27Å; D105-F139 WeakPolarHBondContact O-CZ 3.48Å; V107-F139 HydrophobicContact CG2-CE1 4.17Å; V107-F139 HydrophobicContact CG2-CZ 3.97Å; F139-T147 WeakPolarHBondContact CA-OG1 3.46Å; F139-T147 PolarHBondContact O-N 3.32Å; F139-T147 PolarHBondContact O-OG1 3.44Å; F139-L150 HydrophobicContact CB-CB 4.14Å; F139-L150 HydrophobicContact CB-CD1 4.43Å; F139-L150 HydrophobicContact CB-CD2 4.4Å; F139-L150 HydrophobicContact CD1-CB 4.11Å; F139-L150 HydrophobicContact CD1-CD1 4.15Å; F139-L150 WeakPolarHBondContact O-CB 3.47Å; F139-V153 HydrophobicContact CE1-CG2 4.08Å
140	Y	98.4	Very high	97.8	Very high	28 Å²	28	51.3 Å²	51.3	11%	0.11	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-130.6	140.1	179.9	-56.9	-82.4	0	0	0	111	L62 Q64 L134 G137 Q145 L150	L62-Y140 VanDerWaalsContact O-CE2 3.29Å; L62-Y140 WeakPolarHBondContact O-CE2 3.4Å; Q64-Y140 HydrophobicContact CG-CE2 4.41Å; L134-Y140 HydrophobicContact CB-CD2 4.06Å; L134-Y140 HydrophobicContact CB-CG 4.24Å; L134-Y140 HydrophobicContact CD1-CD1 3.8Å; L134-Y140 HydrophobicContact CD1-CD2 4.37Å; L134-Y140 HydrophobicContact CD1-CE1 4.01Å; L134-Y140 HydrophobicContact CD1-CG 3.98Å; L134-Y140 HydrophobicContact CD2-CD2 4.07Å; L134-Y140 HydrophobicContact CD2-CE1 4.19Å; L134-Y140 HydrophobicContact CD2-CE2 3.69Å; L134-Y140 HydrophobicContact CD2-CG 4.48Å; L134-Y140 HydrophobicContact CG-CD2 4.39Å; L134-Y140 HydrophobicContact CG-CE2 4.47Å; L134-Y140 HydrophobicContact CG-CG 4.46Å; G137-Y140 PolarHBondContact N-O 3.36Å; Y140-Q145 CarbonylContact C-O 3.59Å; Y140-Q145 VanDerWaalsContact CA-O 3.3Å; Y140-Q145 WeakPolarHBondContact CA-O 3.39Å; Y140-L150 HydrophobicContact CD1-CD2 4.18Å; Y140-L150 HydrophobicContact CE1-CD2 3.53Å; Y140-L150 HydrophobicContact CE2-CD2 4.28Å
141	D	97.8	Very high	97.8	Very high	62 Å²	62	49.6 Å²	49.6	33%	0.332	28%	0.28	S	S	.	.			trans	-81.2	-177	176.4	73.7	14.6	0	0	0	112.9	T143 G144 Q145 T147	D141-T143 PolarHBondContact O-N 3.43Å; D141-T143 VanDerWaalsContact O-N 3.1Å; D141-T143 VanDerWaalsContact OD1-CA 3.29Å; D141-T143 WeakPolarHBondContact OD1-CA 3.27Å; D141-T143 WeakPolarHBondContact OD1-CB 3.3Å; D141-T143 PolarHBondContact OD1-N 2.93Å; D141-T143 PolarHBondContact OD1-OG1 3.43Å; D141-T143 PolarHBondContact OD2-OG1 2.89Å; D141-G144 PolarHBondContact O-N 3.24Å; D141-G144 PolarHBondContact OD1-N 2.96Å; D141-Q145 PolarHBondContact N-O 3.22Å; D141-Q145 PolarHBondContact OD1-N 2.84Å; D141-T147 HydrophobicContact CB-CG2 4.49Å
142	E	96.5	Very high	97.8	Very high	166 Å²	166	52.9 Å²	52.9	78%	0.776	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-15.4	-179.9	-61.6	-175.6	171	0	0	113.9	L39 V136	L39-E142 WeakPolarHBondContact CD1-O 3.32Å; V136-E142 HydrophobicContact CG1-CG 4.01Å
143	T	95.8	Very high	97.9	Very high	97 Å²	97	52.2 Å²	52.2	60%	0.595	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	-0	176	71.8	0	0	0	0	112.7	D141 Q145	D141-T143 PolarHBondContact O-N 3.43Å; D141-T143 VanDerWaalsContact O-N 3.1Å; D141-T143 VanDerWaalsContact OD1-CA 3.29Å; D141-T143 WeakPolarHBondContact OD1-CA 3.27Å; D141-T143 WeakPolarHBondContact OD1-CB 3.3Å; D141-T143 PolarHBondContact OD1-N 2.93Å; D141-T143 PolarHBondContact OD1-OG1 3.43Å; D141-T143 PolarHBondContact OD2-OG1 2.89Å; T143-Q145 VanDerWaalsContact C-N 3.32Å; T143-Q145 VanDerWaalsContact OG1-CG 3.28Å; T143-Q145 WeakPolarHBondContact OG1-CG 3.44Å
144	G	95.8	Very high	97.9	Very high	16 Å²	16	56.2 Å²	56.2	17%	0.165	31%	0.31	C	S	.	.	S	Bend	trans	78.7	13.4	-176.9	0	0	0	0	0	113.8	D141	D141-G144 PolarHBondContact O-N 3.24Å; D141-G144 PolarHBondContact OD1-N 2.96Å
145	Q	96.9	Very high	97.9	Very high	115 Å²	115	58.4 Å²	58.4	54%	0.537	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-83.4	146.8	177.6	-63.8	-64.1	-28	0	0	110.9	Y140 D141 T143 T147	Y140-Q145 CarbonylContact C-O 3.59Å; Y140-Q145 VanDerWaalsContact CA-O 3.3Å; Y140-Q145 WeakPolarHBondContact CA-O 3.39Å; D141-Q145 PolarHBondContact N-O 3.22Å; D141-Q145 PolarHBondContact OD1-N 2.84Å; T143-Q145 VanDerWaalsContact C-N 3.32Å; T143-Q145 VanDerWaalsContact OG1-CG 3.28Å; T143-Q145 WeakPolarHBondContact OG1-CG 3.44Å; Q145-T147 PolarHBondContact O-N 3.15Å
146	P	98.1	Very high	98	Very high	58 Å²	58	59.3 Å²	59.3	38%	0.377	34%	0.337	S	S	.	.	B	Isolated β-bridge	trans	-54.4	133.1	173.8	-28.6	37	0	0	0	112.7	L150 L151	P146-L150 HydrophobicContact CB-CB 4.45Å; P146-L150 HydrophobicContact CB-CD2 3.91Å; P146-L150 HydrophobicContact CB-CG 4.44Å; P146-L150 HydrophobicContact CG-CD2 4.26Å; P146-L151 HydrophobicContact CB-CD2 4.32Å
147	T	98.6	Very high	98	Very high	28 Å²	28	58.5 Å²	58.5	17%	0.172	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-85.3	171.3	172	67.8	0	0	0	0	110.8	R138 F139 D141 Q145 A149 L150 L151	R138-T147 WeakPolarHBondContact O-CB 3.39Å; R138-T147 PolarHBondContact O-OG1 3.33Å; F139-T147 WeakPolarHBondContact CA-OG1 3.46Å; F139-T147 PolarHBondContact O-N 3.32Å; F139-T147 PolarHBondContact O-OG1 3.44Å; D141-T147 HydrophobicContact CB-CG2 4.49Å; Q145-T147 PolarHBondContact O-N 3.15Å; T147-A149 PolarHBondContact O-N 3.12Å; T147-A149 PolarHBondContact OG1-N 3.19Å; T147-L150 PolarHBondContact O-N 3.45Å; T147-L150 PolarHBondContact OG1-N 3.13Å; T147-L151 WeakPolarHBondContact O-CG 3.46Å; T147-L151 PolarHBondContact O-N 3.02Å; T147-L151 VanDerWaalsContact O-N 3.14Å
148	A	98.4	Very high	98	Very high	67 Å²	67	59.7 Å²	59.7	55%	0.554	34%	0.338	S	S	*	.	H	α-helix	trans	-55.8	-36.7	171.4	0	0	0	0	0	112.9	L150 L151 E152	A148-L150 PolarHBondContact O-N 3.05Å; A148-L151 PolarHBondContact O-N 3.46Å; A148-E152 WeakPolarHBondContact O-CG 3.33Å; A148-E152 PolarHBondContact O-N 2.93Å
149	A	98.3	Very high	98	Very high	27 Å²	27	61 Å²	61	22%	0.223	35%	0.347	C	S	.	.	H	α-helix	trans	-66.8	-36.5	179.5	0	0	0	0	0	112.3	R138 T147 E152 V153	R138-A149 HydrophobicContact CG-CB 4.02Å; T147-A149 PolarHBondContact O-N 3.12Å; T147-A149 PolarHBondContact OG1-N 3.19Å; A149-E152 PolarHBondContact O-N 3.31Å; A149-V153 WeakPolarHBondContact O-CG2 3.47Å; A149-V153 PolarHBondContact O-N 3.38Å; A149-V153 VanDerWaalsContact O-N 3.11Å
150	L	98.6	Very high	98	Very high	2 Å²	2	60.8 Å²	60.8	1%	0.01	35%	0.346	C	S	.	.	H	α-helix	trans	-68	-41.6	173.8	-177.7	56.1	0	0	0	111.2	F139 Y140 P146 T147 A148 E152 V153 E154	F139-L150 HydrophobicContact CB-CB 4.14Å; F139-L150 HydrophobicContact CB-CD1 4.43Å; F139-L150 HydrophobicContact CB-CD2 4.4Å; F139-L150 HydrophobicContact CD1-CB 4.11Å; F139-L150 HydrophobicContact CD1-CD1 4.15Å; F139-L150 WeakPolarHBondContact O-CB 3.47Å; Y140-L150 HydrophobicContact CD1-CD2 4.18Å; Y140-L150 HydrophobicContact CE1-CD2 3.53Å; Y140-L150 HydrophobicContact CE2-CD2 4.28Å; P146-L150 HydrophobicContact CB-CB 4.45Å; P146-L150 HydrophobicContact CB-CD2 3.91Å; P146-L150 HydrophobicContact CB-CG 4.44Å; P146-L150 HydrophobicContact CG-CD2 4.26Å; T147-L150 PolarHBondContact O-N 3.45Å; T147-L150 PolarHBondContact OG1-N 3.13Å; A148-L150 PolarHBondContact O-N 3.05Å; L150-E152 VanDerWaalsContact C-N 3.3Å; L150-E152 PolarHBondContact O-N 3.17Å; L150-V153 WeakPolarHBondContact O-CB 3.47Å; L150-V153 PolarHBondContact O-N 2.92Å; L150-V153 VanDerWaalsContact O-N 3.15Å; L150-E154 HydrophobicContact CD1-CG 4.43Å; L150-E154 WeakPolarHBondContact O-CG 3.48Å; L150-E154 PolarHBondContact O-N 3.38Å
151	L	98.6	Very high	98	Very high	97 Å²	97	64.6 Å²	64.6	51%	0.508	37%	0.365	S	S	.	.	H	α-helix	trans	-62.5	-36.5	176.8	-62.7	176.4	0	0	0	112.4	P146 T147 A148 E154 A155	P146-L151 HydrophobicContact CB-CD2 4.32Å; T147-L151 WeakPolarHBondContact O-CG 3.46Å; T147-L151 PolarHBondContact O-N 3.02Å; T147-L151 VanDerWaalsContact O-N 3.14Å; A148-L151 PolarHBondContact O-N 3.46Å; L151-E154 PolarHBondContact O-N 2.93Å; L151-A155 WeakPolarHBondContact O-CB 3.44Å; L151-A155 PolarHBondContact O-N 2.99Å
152	E	98.4	Very high	98	Very high	141 Å²	141	68.1 Å²	68.1	66%	0.659	38%	0.377	S	S	*	.	H	α-helix	trans	-65.2	-41.8	173.1	-75.3	173.4	-172.6	0	0	112	A148 A149 L150 A155 S156	A148-E152 WeakPolarHBondContact O-CG 3.33Å; A148-E152 PolarHBondContact O-N 2.93Å; A149-E152 PolarHBondContact O-N 3.31Å; L150-E152 VanDerWaalsContact C-N 3.3Å; L150-E152 PolarHBondContact O-N 3.17Å; E152-A155 PolarHBondContact O-N 3.19Å; E152-S156 WeakPolarHBondContact O-CB 3.31Å; E152-S156 PolarHBondContact O-N 3.01Å
153	V	98.7	Very high	98	Very high	15 Å²	15	63.3 Å²	63.3	9%	0.091	36%	0.357	C	S	.	.	H	α-helix	trans	-63	-42.5	174.2	168.2	0	0	0	0	111.2	L62 V107 V115 Y119 F139 A149 L150 S156 L157	L62-V153 HydrophobicContact CD1-CG1 4.13Å; L62-V153 HydrophobicContact CD2-CG1 4.21Å; V107-V153 HydrophobicContact CG2-CG2 3.52Å; V115-V153 HydrophobicContact CG1-CG1 4Å; Y119-V153 HydrophobicContact CE2-CG1 3.81Å; F139-V153 HydrophobicContact CE1-CG2 4.08Å; A149-V153 WeakPolarHBondContact O-CG2 3.47Å; A149-V153 PolarHBondContact O-N 3.38Å; A149-V153 VanDerWaalsContact O-N 3.11Å; L150-V153 WeakPolarHBondContact O-CB 3.47Å; L150-V153 PolarHBondContact O-N 2.92Å; L150-V153 VanDerWaalsContact O-N 3.15Å; V153-S156 WeakPolarHBondContact O-CB 3.29Å; V153-S156 PolarHBondContact O-N 3.13Å; V153-L157 PolarHBondContact O-N 3.47Å
154	E	98.4	Very high	98	Very high	85 Å²	85	62.4 Å²	62.4	40%	0.397	35%	0.345	S	S	.	.	H	α-helix	trans	-66	-37.1	176.6	-72.3	178.2	166.4	0	0	112.5	Y119 L150 L151 L157 A158	Y119-E154 WeakPolarHBondContact OH-CG 3.42Å; L150-E154 HydrophobicContact CD1-CG 4.43Å; L150-E154 WeakPolarHBondContact O-CG 3.48Å; L150-E154 PolarHBondContact O-N 3.38Å; L151-E154 PolarHBondContact O-N 2.93Å; E154-L157 WeakPolarHBondContact O-CB 3.5Å; E154-L157 PolarHBondContact O-N 3.39Å; E154-A158 PolarHBondContact O-N 3.23Å
155	A	98.6	Very high	98	Very high	62 Å²	62	64.3 Å²	64.3	51%	0.512	36%	0.359	S	S	.	.	H	α-helix	trans	-64	-43.4	172.3	0	0	0	0	0	111.4	L151 E152 L157 A158 E159	L151-A155 WeakPolarHBondContact O-CB 3.44Å; L151-A155 PolarHBondContact O-N 2.99Å; E152-A155 PolarHBondContact O-N 3.19Å; A155-L157 VanDerWaalsContact C-N 3.33Å; A155-L157 PolarHBondContact O-N 3.37Å; A155-A158 PolarHBondContact O-N 3.03Å; A155-E159 PolarHBondContact O-N 3.16Å
156	S	98.6	Very high	97.9	Very high	24 Å²	24	64 Å²	64	17%	0.168	36%	0.357	C	S	.	.	H	α-helix	trans	-62.7	-38.3	174.5	-170.9	0	0	0	0	111.8	P112 E152 V153 E159 G160	P112-S156 WeakPolarHBondContact CA-OG 3.39Å; P112-S156 WeakPolarHBondContact CB-O 3.42Å; E152-S156 WeakPolarHBondContact O-CB 3.31Å; E152-S156 PolarHBondContact O-N 3.01Å; V153-S156 WeakPolarHBondContact O-CB 3.29Å; V153-S156 PolarHBondContact O-N 3.13Å; S156-E159 PolarHBondContact O-N 3.49Å; S156-G160 PolarHBondContact O-N 2.91Å
157	L	98.7	Very high	97.6	Very high	21 Å²	21	64.8 Å²	64.8	11%	0.11	36%	0.364	C	S	.	.	H	α-helix	trans	-59.4	-48.4	172.5	175.1	65.7	0	0	0	111.3	V115 V116 Y119 V153 E154 A155 E159 G160 Q161	V115-L157 HydrophobicContact CG1-CB 3.87Å; V115-L157 HydrophobicContact CG1-CD1 4.49Å; V116-L157 HydrophobicContact CB-CD1 4.39Å; V116-L157 HydrophobicContact CG2-CD1 3.99Å; Y119-L157 HydrophobicContact CD1-CD2 3.67Å; Y119-L157 HydrophobicContact CD2-CB 4.32Å; Y119-L157 HydrophobicContact CD2-CD1 3.79Å; Y119-L157 HydrophobicContact CD2-CD2 3.79Å; Y119-L157 HydrophobicContact CD2-CG 4.17Å; Y119-L157 HydrophobicContact CE1-CD2 3.7Å; Y119-L157 HydrophobicContact CE2-CB 4.15Å; Y119-L157 HydrophobicContact CE2-CD1 4.43Å; Y119-L157 HydrophobicContact CE2-CD2 3.81Å; Y119-L157 HydrophobicContact CE2-CG 4.35Å; Y119-L157 HydrophobicContact CG-CD1 3.9Å; Y119-L157 HydrophobicContact CG-CD2 3.7Å; Y119-L157 HydrophobicContact CG-CG 4.37Å; V153-L157 PolarHBondContact O-N 3.47Å; E154-L157 WeakPolarHBondContact O-CB 3.5Å; E154-L157 PolarHBondContact O-N 3.39Å; A155-L157 VanDerWaalsContact C-N 3.33Å; A155-L157 PolarHBondContact O-N 3.37Å; L157-E159 VanDerWaalsContact C-N 3.31Å; L157-E159 PolarHBondContact O-N 3.05Å; L157-G160 PolarHBondContact O-N 3.04Å; L157-Q161 HydrophobicContact CD1-CG 4.18Å; L157-Q161 HydrophobicContact CG-CG 4.44Å; L157-Q161 WeakPolarHBondContact O-CB 3.34Å; L157-Q161 WeakPolarHBondContact O-CG 3.35Å; L157-Q161 PolarHBondContact O-N 3.47Å
158	A	98.6	Very high	97.3	Very high	57 Å²	57	68.5 Å²	68.5	47%	0.471	38%	0.38	S	S	.	.	H	α-helix	trans	-61.8	-40.5	179.8	0	0	0	0	0	111.8	E154 A155 K162	E154-A158 PolarHBondContact O-N 3.23Å; A155-A158 PolarHBondContact O-N 3.03Å; A158-K162 PolarHBondContact O-N 3.28Å; A158-K162 VanDerWaalsContact O-N 3.12Å
159	E	98.5	Very high	97.1	Very high	109 Å²	109	68.1 Å²	68.1	51%	0.509	38%	0.376	S	S	.	.	H	α-helix	trans	-62.7	-47.8	172.3	-179	172.9	-176	0	0	111.6	P112 A155 S156 L157 Q161 K162 L163	P112-E159 HydrophobicContact CB-CB 4.27Å; P112-E159 HydrophobicContact CB-CG 4.14Å; P112-E159 HydrophobicContact CG-CG 4.16Å; A155-E159 PolarHBondContact O-N 3.16Å; S156-E159 PolarHBondContact O-N 3.49Å; L157-E159 VanDerWaalsContact C-N 3.31Å; L157-E159 PolarHBondContact O-N 3.05Å; E159-Q161 VanDerWaalsContact C-N 3.33Å; E159-Q161 PolarHBondContact O-N 2.98Å; E159-K162 WeakPolarHBondContact O-CB 3.5Å; E159-K162 PolarHBondContact O-N 2.91Å; E159-K162 VanDerWaalsContact O-N 3.13Å; E159-L163 HydrophobicContact CG-CD1 4.15Å; E159-L163 HydrophobicContact CG-CG 4.43Å; E159-L163 WeakPolarHBondContact O-CG 3.27Å; E159-L163 PolarHBondContact O-N 2.8Å
160	G	98.3	Very high	96.7	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-59.5	-42.2	178.9	0	0	0	0	0	112.6	P112 V116 S156 L157 K162 L163 K164	P112-G160 WeakPolarHBondContact O-CA 3.49Å; V116-G160 VanDerWaalsContact CG2-C 3.4Å; S156-G160 PolarHBondContact O-N 2.91Å; L157-G160 PolarHBondContact O-N 3.04Å; G160-K162 VanDerWaalsContact C-N 3.35Å; G160-K162 PolarHBondContact O-N 3.14Å; G160-L163 PolarHBondContact O-N 3.45Å; G160-K164 WeakPolarHBondContact O-CB 3.48Å; G160-K164 PolarHBondContact O-N 3.36Å
161	Q	98.4	Very high	96.4	Very high	108 Å²	108	73.8 Å²	73.8	51%	0.505	40%	0.397	S	S	.	.	H	α-helix	trans	-62.6	-41.6	175	-73.8	177.2	-11.7	0	0	111.7	V116 L157 E159 K164 A165	V116-Q161 HydrophobicContact CG2-CG 4.14Å; L157-Q161 HydrophobicContact CD1-CG 4.18Å; L157-Q161 HydrophobicContact CG-CG 4.44Å; L157-Q161 WeakPolarHBondContact O-CB 3.34Å; L157-Q161 WeakPolarHBondContact O-CG 3.35Å; L157-Q161 PolarHBondContact O-N 3.47Å; E159-Q161 VanDerWaalsContact C-N 3.33Å; E159-Q161 PolarHBondContact O-N 2.98Å; Q161-K164 PolarHBondContact O-N 3.41Å; Q161-A165 WeakPolarHBondContact O-CB 3.48Å; Q161-A165 PolarHBondContact O-N 3.25Å
162	K	98.1	Very high	96.1	Very high	135 Å²	135	74.9 Å²	74.9	59%	0.587	40%	0.402	S	S	*	.	H	α-helix	trans	-62.6	-45.3	175	-177.9	-176.7	175.5	-172.9	0	111.4	A158 E159 G160 A165 Q166	A158-K162 PolarHBondContact O-N 3.28Å; A158-K162 VanDerWaalsContact O-N 3.12Å; E159-K162 WeakPolarHBondContact O-CB 3.5Å; E159-K162 PolarHBondContact O-N 2.91Å; E159-K162 VanDerWaalsContact O-N 3.13Å; G160-K162 VanDerWaalsContact C-N 3.35Å; G160-K162 PolarHBondContact O-N 3.14Å; K162-A165 PolarHBondContact O-N 2.84Å; K162-Q166 WeakPolarHBondContact O-CB 3Å; K162-Q166 VanDerWaalsContact O-CG 3.29Å; K162-Q166 WeakPolarHBondContact O-CG 3.31Å; K162-Q166 PolarHBondContact O-N 3.36Å
163	L	96	Very high	95.6	Very high	66 Å²	66	73.5 Å²	73.5	35%	0.346	40%	0.399	S	S	.	.	H	α-helix	trans	-62.7	-44.3	177	-69	173.7	0	0	0	111.6	P112 L113 E159 G160 Q166 S167	P112-L163 HydrophobicContact CB-CD1 4.18Å; L113-L163 HydrophobicContact CD2-CB 4.04Å; E159-L163 HydrophobicContact CG-CD1 4.15Å; E159-L163 HydrophobicContact CG-CG 4.43Å; E159-L163 WeakPolarHBondContact O-CG 3.27Å; E159-L163 PolarHBondContact O-N 2.8Å; G160-L163 PolarHBondContact O-N 3.45Å; L163-Q166 PolarHBondContact O-N 3.49Å; L163-S167 WeakPolarHBondContact O-CB 3.47Å; L163-S167 PolarHBondContact O-N 3.17Å
164	K	95.8	Very high	95.3	Very high	77 Å²	77	74 Å²	74	34%	0.335	40%	0.4	S	S	.	.	H	α-helix	trans	-59.8	-48.4	176.2	-174.2	174	179	178.6	0	111.1	L113 V116 D120 G160 Q161 Q166 S167 E168	L113-K164 HydrophobicContact CD2-CB 4.05Å; V116-K164 HydrophobicContact CG1-CD 3.98Å; D120-K164 IonicContact OD2-NZ 3.63Å; G160-K164 WeakPolarHBondContact O-CB 3.48Å; G160-K164 PolarHBondContact O-N 3.36Å; Q161-K164 PolarHBondContact O-N 3.41Å; K164-Q166 PolarHBondContact O-N 2.9Å; K164-S167 PolarHBondContact O-N 3.18Å; K164-E168 WeakPolarHBondContact O-CB 3.41Å; K164-E168 WeakPolarHBondContact O-CG 3.42Å; K164-E168 PolarHBondContact O-N 3.46Å
165	A	96.2	Very high	95.2	Very high	56 Å²	56	70 Å²	70	46%	0.463	38%	0.381	S	S	.	.	H	α-helix	trans	-62.6	-40.7	178.1	0	0	0	0	0	112.7	Q161 K162 E168 A169	Q161-A165 WeakPolarHBondContact O-CB 3.48Å; Q161-A165 PolarHBondContact O-N 3.25Å; K162-A165 PolarHBondContact O-N 2.84Å; A165-E168 PolarHBondContact O-N 2.89Å; A165-A169 WeakPolarHBondContact O-CB 3.45Å; A165-A169 PolarHBondContact O-N 3.44Å
166	Q	93.7	Very high	95.1	Very high	109 Å²	109	69.1 Å²	69.1	51%	0.509	37%	0.37	S	S	.	.	H	α-helix	trans	-63.6	-44.3	174.7	-74.7	177	-3.4	0	0	111.7	K162 L163 K164 E168 A169 E170	K162-Q166 WeakPolarHBondContact O-CB 3Å; K162-Q166 VanDerWaalsContact O-CG 3.29Å; K162-Q166 WeakPolarHBondContact O-CG 3.31Å; K162-Q166 PolarHBondContact O-N 3.36Å; L163-Q166 PolarHBondContact O-N 3.49Å; K164-Q166 PolarHBondContact O-N 2.9Å; Q166-E168 VanDerWaalsContact C-N 3.35Å; Q166-E168 PolarHBondContact O-N 3.07Å; Q166-A169 PolarHBondContact O-N 2.95Å; Q166-E170 WeakPolarHBondContact O-CB 3.29Å; Q166-E170 PolarHBondContact O-N 3.43Å
167	S	91.7	Very high	95	Very high	75 Å²	75	68.7 Å²	68.7	52%	0.524	37%	0.367	S	S	.	.	H	α-helix	trans	-62.5	-41.2	176.6	-171.9	0	0	0	0	111.9	L163 K164 E170 K171	L163-S167 WeakPolarHBondContact O-CB 3.47Å; L163-S167 PolarHBondContact O-N 3.17Å; K164-S167 PolarHBondContact O-N 3.18Å; S167-E170 PolarHBondContact O-N 3.28Å; S167-K171 VanDerWaalsContact O-CB 3.25Å; S167-K171 WeakPolarHBondContact O-CB 3.25Å; S167-K171 PolarHBondContact O-N 2.69Å
168	E	93.4	Very high	95	Very high	105 Å²	105	69.5 Å²	69.5	49%	0.491	37%	0.371	S	S	.	.	H	α-helix	trans	-65.9	-42.4	176.2	-73.7	174.7	175.8	0	0	112.1	K164 A165 Q166 K171 I172	K164-E168 WeakPolarHBondContact O-CB 3.41Å; K164-E168 WeakPolarHBondContact O-CG 3.42Å; K164-E168 PolarHBondContact O-N 3.46Å; A165-E168 PolarHBondContact O-N 2.89Å; Q166-E168 VanDerWaalsContact C-N 3.35Å; Q166-E168 PolarHBondContact O-N 3.07Å; E168-K171 WeakPolarHBondContact O-CB 3.36Å; E168-K171 PolarHBondContact O-N 3.25Å; E168-I172 WeakPolarHBondContact O-CG1 3.35Å; E168-I172 PolarHBondContact O-N 3.17Å
169	A	92.9	Very high	94.8	Very high	59 Å²	59	69.8 Å²	69.8	49%	0.488	37%	0.374	S	S	.	.	H	α-helix	trans	-63.4	-43.9	174.6	0	0	0	0	0	111.8	A165 Q166 K171 I172 L173	A165-A169 WeakPolarHBondContact O-CB 3.45Å; A165-A169 PolarHBondContact O-N 3.44Å; Q166-A169 PolarHBondContact O-N 2.95Å; A169-K171 VanDerWaalsContact C-N 3.32Å; A169-K171 PolarHBondContact O-N 2.99Å; A169-I172 PolarHBondContact O-N 2.65Å; A169-L173 PolarHBondContact O-N 2.97Å
170	E	90.9	Very high	94.7	Very high	60 Å²	60	68.8 Å²	68.8	28%	0.28	37%	0.369	S	S	.	.	H	α-helix	trans	-62.7	-40	174.4	-170.6	-176.2	85.5	0	0	111	Q166 S167 I172 L173 F174 R218	Q166-E170 WeakPolarHBondContact O-CB 3.29Å; Q166-E170 PolarHBondContact O-N 3.43Å; S167-E170 PolarHBondContact O-N 3.28Å; E170-I172 VanDerWaalsContact C-N 3.3Å; E170-I172 PolarHBondContact O-N 3.19Å; E170-L173 PolarHBondContact O-N 2.9Å; E170-F174 HydrophobicContact CG-CD2 3.89Å; E170-F174 WeakPolarHBondContact O-CA 3.07Å; E170-F174 PolarHBondContact O-N 2.94Å; E170-R218 IonicContact OE1-CZ 3.93Å; E170-R218 IonicContact OE1-NE 3.77Å; E170-R218 IonicContact OE1-NH2 2.74Å; E170-R218 PolarHBondContact OE1-NH2 2.84Å
171	K	92.5	Very high	94.5	Very high	88 Å²	88	77 Å²	77	38%	0.383	40%	0.4	S	S	.	.	H	α-helix	trans	-63.9	-34	176.7	179.5	-179.7	177.6	-178.3	0	112.4	S167 E168 A169 F174 P175 G196 V198	S167-K171 VanDerWaalsContact O-CB 3.25Å; S167-K171 WeakPolarHBondContact O-CB 3.25Å; S167-K171 PolarHBondContact O-N 2.69Å; E168-K171 WeakPolarHBondContact O-CB 3.36Å; E168-K171 PolarHBondContact O-N 3.25Å; A169-K171 VanDerWaalsContact C-N 3.32Å; A169-K171 PolarHBondContact O-N 2.99Å; K171-F174 CarbonylContact O-C 3.48Å; K171-P175 WeakPolarHBondContact O-CA 3.38Å; K171-P175 WeakPolarHBondContact O-CB 3.29Å; K171-P175 VanDerWaalsContact O-N 3.08Å; K171-G196 WeakPolarHBondContact CE-O 3.26Å; K171-G196 PolarHBondContact NZ-O 3.21Å; K171-V198 HydrophobicContact CG-CG2 4.18Å
172	I	90.9	Very high	94.1	Very high	121 Å²	121	73.6 Å²	73.6	62%	0.621	39%	0.388	S	S	*	.	H	α-helix	trans	-67.2	-41.6	174.8	-70.5	164.8	0	0	0	110.4	E168 A169 E170	E168-I172 WeakPolarHBondContact O-CG1 3.35Å; E168-I172 PolarHBondContact O-N 3.17Å; A169-I172 PolarHBondContact O-N 2.65Å; E170-I172 VanDerWaalsContact C-N 3.3Å; E170-I172 PolarHBondContact O-N 3.19Å
173	L	89.4	Confident	93.7	Very high	112 Å²	112	72.4 Å²	72.4	59%	0.586	40%	0.397	S	S	*	.	H	α-helix	trans	-75	-41.2	-179.2	-173.5	60.6	0	0	0	112.6	A169 E170 P175	A169-L173 PolarHBondContact O-N 2.97Å; E170-L173 PolarHBondContact O-N 2.9Å; L173-P175 VanDerWaalsContact C-CD 3.47Å; L173-P175 WeakPolarHBondContact O-CD 3.46Å
174	F	92.3	Very high	93.3	Very high	26 Å²	26	74.3 Å²	74.3	11%	0.114	42%	0.416	C	S	.	.	S	Bend	trans	-128.6	67.9	-175.5	-52.4	-50.8	0	0	0	110.8	E170 K171 F209 R218 V220 M234	E170-F174 HydrophobicContact CG-CD2 3.89Å; E170-F174 WeakPolarHBondContact O-CA 3.07Å; E170-F174 PolarHBondContact O-N 2.94Å; K171-F174 CarbonylContact O-C 3.48Å; F174-F209 AromaticContact CD2-CE2 3.77Å; F174-F209 HydrophobicContact CD2-CE2 3.77Å; F174-F209 AromaticContact CD2-CZ 3.8Å; F174-F209 HydrophobicContact CD2-CZ 3.8Å; F174-F209 AromaticContact CE2-CE2 3.86Å; F174-F209 HydrophobicContact CE2-CE2 3.86Å; F174-F209 HydrophobicContact CE2-CZ 4.04Å; F174-F209 HydrophobicContact CG-CE2 4.32Å; F174-F209 HydrophobicContact CZ-CE2 4.49Å; F174-R218 PolarHBondContact O-NH1 3.2Å; F174-R218 VanDerWaalsContact O-NH1 3.1Å; F174-V220 HydrophobicContact CB-CB 3.95Å; F174-V220 HydrophobicContact CB-CG1 3.97Å; F174-V220 HydrophobicContact CB-CG2 4.25Å; F174-M234 HydrophobicContact CD1-CE 3.36Å; F174-M234 HydrophobicContact CD2-CE 4.43Å; F174-M234 HydrophobicContact CE1-CE 3.2Å; F174-M234 HydrophobicContact CE2-CE 4.29Å; F174-M234 HydrophobicContact CG-CE 4Å; F174-M234 HydrophobicContact CZ-CE 3.7Å
175	P	95.5	Very high	92.7	Very high	0 Å²	0	74.8 Å²	74.8	0%	0	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-64.1	141.1	-176.6	23.8	-31.8	0	0	0	110.9	K171 L173 V198 V220 C221	K171-P175 WeakPolarHBondContact O-CA 3.38Å; K171-P175 WeakPolarHBondContact O-CB 3.29Å; K171-P175 VanDerWaalsContact O-N 3.08Å; L173-P175 VanDerWaalsContact C-CD 3.47Å; L173-P175 WeakPolarHBondContact O-CD 3.46Å; P175-V198 HydrophobicContact CB-CB 3.93Å; P175-V198 HydrophobicContact CB-CG2 3.93Å; P175-V220 CarbonylContact O-C 3.22Å; P175-V220 VanDerWaalsContact O-CA 3.31Å; P175-V220 WeakPolarHBondContact O-CA 2.88Å; P175-C221 HydrophobicContact CG-CB 4.22Å; P175-C221 PolarHBondContact O-N 3.18Å
176	P	96.4	Very high	92.4	Very high	43 Å²	43	73.1 Å²	73.1	28%	0.279	41%	0.413	S	S	.	.	B	Isolated β-bridge	trans	-54.7	142.3	175.3	-25.3	31.2	0	0	0	112.2	S195 G196 C219	P176-S195 CarbonylContact O-C 3.56Å; P176-S195 VanDerWaalsContact O-C 3.32Å; P176-S195 VanDerWaalsContact O-CB 3.26Å; P176-S195 WeakPolarHBondContact O-CB 3.49Å; P176-G196 WeakPolarHBondContact O-CA 3.46Å; P176-G196 PolarHBondContact O-N 3.27Å; P176-C219 WeakPolarHBondContact CA-O 2.99Å
177	C	97.4	Very high	92.4	Very high	16 Å²	16	72.3 Å²	72.3	11%	0.108	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-63.9	155.9	170.4	-52.9	0	0	0	0	111.1	V189 C219 V220	C177-V189 HydrophobicContact CB-CB 4.09Å; C177-C219 HydrophobicContact CB-CB 3.6Å; C177-C219 WeakPolarHBondContact CB-SG 3.48Å; C177-C219 PolarHBondContact N-O 2.73Å; C177-C219 VanDerWaalsContact N-O 3.17Å; C177-C219 WeakPolarHBondContact SG-CB 3.46Å; C177-C219 CovalentContact SG-SG 2.03Å; C177-C219 PolarHBondContact SG-SG 2.88Å; C177-V220 PolarHBondContact SG-N 2.96Å; C177-V220 PolarHBondContact SG-O 2.72Å
178	N	97.5	Very high	92.5	Very high	37 Å²	37	72.7 Å²	72.7	20%	0.198	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	147.8	158	-59.9	-43.9	0	0	0	108.4	V189 W190 S192 K194 S195	N178-V189 CarbonylContact O-C 3.51Å; N178-V189 VanDerWaalsContact O-CA 3.24Å; N178-V189 WeakPolarHBondContact O-CA 3.37Å; N178-W190 HydrophobicContact CB-CD2 3.54Å; N178-W190 HydrophobicContact CB-CE3 3.86Å; N178-W190 HydrophobicContact CB-CG 4.17Å; N178-W190 HydrophobicContact CB-CH2 3.74Å; N178-W190 HydrophobicContact CB-CZ2 3.41Å; N178-W190 VanDerWaalsContact CB-CZ2 3.41Å; N178-W190 HydrophobicContact CB-CZ3 3.95Å; N178-W190 WeakPolarHBondContact CB-O 3.5Å; N178-W190 PolarHBondContact N-O 3.08Å; N178-W190 PolarHBondContact ND2-NE1 3.1Å; N178-W190 PolarHBondContact O-N 2.72Å; N178-S192 PolarHBondContact ND2-OG 2.88Å; N178-K194 PolarHBondContact ND2-O 2.86Å; N178-S195 PolarHBondContact ND2-OG 2.88Å; N178-S195 VanDerWaalsContact ND2-OG 3.09Å; N178-S195 WeakPolarHBondContact OD1-CA 3.33Å
179	A	95.5	Very high	92.7	Very high	63 Å²	63	67.7 Å²	67.7	52%	0.521	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	143.9	-179	0	0	0	0	0	110.9	R188 V189	A179-R188 CarbonylContact C-O 3.59Å; A179-R188 VanDerWaalsContact CA-O 3.3Å; A179-R188 WeakPolarHBondContact CA-O 3.31Å; A179-V189 HydrophobicContact CB-CG1 4.09Å
180	E	95.3	Very high	92.9	Very high	88 Å²	88	68.2 Å²	68.2	41%	0.411	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	154.6	170.4	67.5	-173.5	175.9	0	0	109	K187 R188 W190	E180-K187 WeakPolarHBondContact O-CA 3.47Å; E180-R188 HydrophobicContact CG-CB 3.83Å; E180-R188 HydrophobicContact CG-CG 4.46Å; E180-R188 PolarHBondContact N-O 3.18Å; E180-R188 PolarHBondContact O-N 2.77Å; E180-R188 VanDerWaalsContact OE1-CD 3.32Å; E180-R188 WeakPolarHBondContact OE1-CD 3.14Å; E180-R188 IonicContact OE1-CZ 2.78Å; E180-R188 IonicContact OE1-NE 3.8Å; E180-R188 IonicContact OE1-NH1 3.79Å; E180-R188 PolarHBondContact OE1-NH1 3.33Å; E180-W190 HydrophobicContact CB-CH2 4.38Å; E180-W190 HydrophobicContact CB-CZ3 3.98Å; E180-W190 HydrophobicContact CG-CZ3 3.87Å
181	W	94.1	Very high	93.2	Very high	174 Å²	174	65.5 Å²	65.5	66%	0.659	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138	139.2	174.6	-179.7	91.9	0	0	0	109
182	S	90.9	Very high	93.5	Very high	36 Å²	36	62.9 Å²	62.9	25%	0.252	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	153.7	166.8	93.6	0	0	0	0	110.3	S184 T185 G186	S182-S184 PolarHBondContact O-N 3.28Å; S182-S184 PolarHBondContact OG-N 3.1Å; S182-S184 PolarHBondContact OG-OG 3.29Å; S182-T185 WeakPolarHBondContact OG-CB 3.48Å; S182-T185 PolarHBondContact OG-N 3.41Å; S182-T185 PolarHBondContact OG-OG1 3.41Å; S182-G186 PolarHBondContact N-O 2.69Å; S182-G186 WeakPolarHBondContact O-CA 3.38Å; S182-G186 PolarHBondContact O-N 3.13Å
183	S	89.5	Confident	93.8	Very high	110 Å²	110	60.5 Å²	60.5	77%	0.769	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-26.2	178.6	54.3	0	0	0	0	113.5
184	S	86.9	Confident	94.1	Very high	106 Å²	106	62 Å²	62	74%	0.741	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-28.5	-177.4	56.5	0	0	0	0	113.4	S182	S182-S184 PolarHBondContact O-N 3.28Å; S182-S184 PolarHBondContact OG-N 3.1Å; S182-S184 PolarHBondContact OG-OG 3.29Å
185	T	83.3	Confident	94.3	Very high	86 Å²	86	60.8 Å²	60.8	53%	0.528	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-12.7	-175.5	65.4	0	0	0	0	113.7	S182 M248	S182-T185 WeakPolarHBondContact OG-CB 3.48Å; S182-T185 PolarHBondContact OG-N 3.41Å; S182-T185 PolarHBondContact OG-OG1 3.41Å; T185-M248 WeakPolarHBondContact O-CE 3.33Å
186	G	90	Very high	94.2	Very high	21 Å²	21	61.8 Å²	61.8	22%	0.216	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	75.3	-162.3	-173.9	0	0	0	0	0	113	S182	S182-G186 PolarHBondContact N-O 2.69Å; S182-G186 WeakPolarHBondContact O-CA 3.38Å; S182-G186 PolarHBondContact O-N 3.13Å
187	K	93.3	Very high	94	Very high	93 Å²	93	63 Å²	63	40%	0.404	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	132.7	-177.3	-170.7	174.9	179	177.1	0	110.9	E180 V249	E180-K187 WeakPolarHBondContact O-CA 3.47Å; K187-V249 HydrophobicContact CB-CB 4.27Å; K187-V249 HydrophobicContact CD-CB 4.39Å; K187-V249 HydrophobicContact CG-CB 4.35Å; K187-V249 PolarHBondContact O-N 3.01Å
188	R	95.1	Very high	93.9	Very high	82 Å²	82	63.5 Å²	63.5	31%	0.309	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	136.5	171.9	176.5	170.9	166.2	-117.4	-2.9	109.8	A179 E180 S246 C247 M248	A179-R188 CarbonylContact C-O 3.59Å; A179-R188 VanDerWaalsContact CA-O 3.3Å; A179-R188 WeakPolarHBondContact CA-O 3.31Å; E180-R188 HydrophobicContact CG-CB 3.83Å; E180-R188 HydrophobicContact CG-CG 4.46Å; E180-R188 PolarHBondContact N-O 3.18Å; E180-R188 PolarHBondContact O-N 2.77Å; E180-R188 VanDerWaalsContact OE1-CD 3.32Å; E180-R188 WeakPolarHBondContact OE1-CD 3.14Å; E180-R188 IonicContact OE1-CZ 2.78Å; E180-R188 IonicContact OE1-NE 3.8Å; E180-R188 IonicContact OE1-NH1 3.79Å; E180-R188 PolarHBondContact OE1-NH1 3.33Å; R188-S246 PolarHBondContact NE-OG 3.3Å; R188-S246 PolarHBondContact NH2-OG 2.88Å; R188-S246 VanDerWaalsContact NH2-OG 3.12Å; R188-C247 WeakPolarHBondContact CA-O 3.48Å; R188-M248 HydrophobicContact CB-CE 4.24Å; R188-M248 HydrophobicContact CB-SD 3.74Å; R188-M248 HydrophobicContact CG-SD 3.9Å
189	V	96.9	Very high	93.8	Very high	1 Å²	1	70.6 Å²	70.6	1%	0.006	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	146.3	171.5	-64.2	0	0	0	0	110.1	C177 N178 A179 P206 C219 Y237 S246 C247 V249	C177-V189 HydrophobicContact CB-CB 4.09Å; N178-V189 CarbonylContact O-C 3.51Å; N178-V189 VanDerWaalsContact O-CA 3.24Å; N178-V189 WeakPolarHBondContact O-CA 3.37Å; A179-V189 HydrophobicContact CB-CG1 4.09Å; V189-P206 HydrophobicContact CG2-CB 3.87Å; V189-P206 HydrophobicContact CG2-CG 4.35Å; V189-C219 HydrophobicContact CG1-CB 4.2Å; V189-C219 VanDerWaalsContact CG2-SG 3.58Å; V189-Y237 HydrophobicContact CG2-CD2 4.37Å; V189-Y237 HydrophobicContact CG2-CE2 3.92Å; V189-S246 CarbonylContact O-C 3.58Å; V189-S246 WeakPolarHBondContact O-CA 3.45Å; V189-S246 PolarHBondContact O-OG 3.44Å; V189-C247 HydrophobicContact CG2-CB 4.06Å; V189-C247 PolarHBondContact N-O 2.68Å; V189-C247 PolarHBondContact O-N 3.21Å; V189-V249 HydrophobicContact CB-CG2 4.35Å; V189-V249 HydrophobicContact CG1-CG2 4.05Å; V189-V249 HydrophobicContact CG2-CG2 3.58Å
190	W	97.6	Very high	93.8	Very high	69 Å²	69	69 Å²	69	26%	0.261	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	160.7	175.6	75.8	102.2	0	0	0	112.2	N178 E180 E245	N178-W190 HydrophobicContact CB-CD2 3.54Å; N178-W190 HydrophobicContact CB-CE3 3.86Å; N178-W190 HydrophobicContact CB-CG 4.17Å; N178-W190 HydrophobicContact CB-CH2 3.74Å; N178-W190 HydrophobicContact CB-CZ2 3.41Å; N178-W190 VanDerWaalsContact CB-CZ2 3.41Å; N178-W190 HydrophobicContact CB-CZ3 3.95Å; N178-W190 WeakPolarHBondContact CB-O 3.5Å; N178-W190 PolarHBondContact N-O 3.08Å; N178-W190 PolarHBondContact ND2-NE1 3.1Å; N178-W190 PolarHBondContact O-N 2.72Å; E180-W190 HydrophobicContact CB-CH2 4.38Å; E180-W190 HydrophobicContact CB-CZ3 3.98Å; E180-W190 HydrophobicContact CG-CZ3 3.87Å; W190-E245 CarbonylContact C-O 3.57Å; W190-E245 WeakPolarHBondContact CA-O 3.32Å; W190-E245 VanDerWaalsContact CB-O 3.3Å; W190-E245 WeakPolarHBondContact CB-O 3.46Å
191	C	97.9	Very high	93.8	Very high	4 Å²	4	71.5 Å²	71.5	3%	0.027	39%	0.391	C	S	.	.			trans	-110.7	147.9	175.8	-67.9	0	0	0	0	109.7	T203 G204 C221 E245	C191-T203 HydrophobicContact CB-CG2 4.45Å; C191-T203 VanDerWaalsContact CB-O 3.22Å; C191-T203 WeakPolarHBondContact CB-O 3.33Å; C191-T203 WeakPolarHBondContact O-CG2 3.24Å; C191-G204 WeakPolarHBondContact CB-O 3.47Å; C191-C221 WeakPolarHBondContact CA-SG 3.08Å; C191-C221 HydrophobicContact CB-CB 3.82Å; C191-C221 WeakPolarHBondContact CB-SG 2.94Å; C191-C221 WeakPolarHBondContact SG-CA 3.24Å; C191-C221 WeakPolarHBondContact SG-CB 3.48Å; C191-C221 CovalentContact SG-SG 2.03Å; C191-C221 PolarHBondContact SG-SG 3.16Å; C191-E245 PolarHBondContact N-O 2.99Å
192	S	97.1	Very high	93.9	Very high	32 Å²	32	65.5 Å²	65.5	22%	0.224	37%	0.369	C	S	.	.			trans	-147.1	177.8	172.5	71.4	0	0	0	0	108.6	N178 K194 S195 R200	N178-S192 PolarHBondContact ND2-OG 2.88Å; S192-K194 PolarHBondContact O-N 2.99Å; S192-K194 VanDerWaalsContact OG-C 3.3Å; S192-K194 PolarHBondContact OG-N 3.05Å; S192-K194 VanDerWaalsContact OG-N 3.16Å; S192-K194 PolarHBondContact OG-O 3.49Å; S192-S195 PolarHBondContact N-OG 3.11Å; S192-S195 PolarHBondContact O-OG 3.36Å; S192-R200 PolarHBondContact O-NE 3.49Å; S192-R200 PolarHBondContact O-NH2 2.93Å
193	T	97.2	Very high	94.1	Very high	71 Å²	71	65.5 Å²	65.5	44%	0.436	37%	0.367	S	S	.	.	S	Bend	trans	-61.6	-7.1	170.9	53.5	0	0	0	0	113.5	K199 R200	T193-K199 CarbonylContact O-C 3.57Å; T193-K199 WeakPolarHBondContact O-CA 3.31Å; T193-R200 VanDerWaalsContact CB-O 3.31Å; T193-R200 WeakPolarHBondContact CB-O 3.39Å; T193-R200 PolarHBondContact O-N 2.86Å
194	K	96.8	Very high	94.3	Very high	144 Å²	144	60.8 Å²	60.8	63%	0.626	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.8	98.3	171.2	-172	-177.2	-179.9	-175.9	0	110.3	N178 S192 V198	N178-K194 PolarHBondContact ND2-O 2.86Å; S192-K194 PolarHBondContact O-N 2.99Å; S192-K194 VanDerWaalsContact OG-C 3.3Å; S192-K194 PolarHBondContact OG-N 3.05Å; S192-K194 VanDerWaalsContact OG-N 3.16Å; S192-K194 PolarHBondContact OG-O 3.49Å; K194-V198 WeakPolarHBondContact CA-O 3.41Å
195	S	96.8	Very high	94.7	Very high	0 Å²	0	56 Å²	56	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	141.8	176.8	-56	0	0	0	0	110.5	P176 N178 S192 G197 V198	P176-S195 CarbonylContact O-C 3.56Å; P176-S195 VanDerWaalsContact O-C 3.32Å; P176-S195 VanDerWaalsContact O-CB 3.26Å; P176-S195 WeakPolarHBondContact O-CB 3.49Å; N178-S195 PolarHBondContact ND2-OG 2.88Å; N178-S195 VanDerWaalsContact ND2-OG 3.09Å; N178-S195 WeakPolarHBondContact OD1-CA 3.33Å; S192-S195 PolarHBondContact N-OG 3.11Å; S192-S195 PolarHBondContact O-OG 3.36Å; S195-G197 PolarHBondContact O-N 3.46Å; S195-G197 VanDerWaalsContact O-N 3.08Å; S195-V198 PolarHBondContact N-O 3.31Å; S195-V198 PolarHBondContact O-N 3.25Å
196	G	91.8	Very high	95.4	Very high	22 Å²	22	51.9 Å²	51.9	23%	0.227	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.7	22.5	177.5	0	0	0	0	0	114.5	K171 P176 V198	K171-G196 WeakPolarHBondContact CE-O 3.26Å; K171-G196 PolarHBondContact NZ-O 3.21Å; P176-G196 WeakPolarHBondContact O-CA 3.46Å; P176-G196 PolarHBondContact O-N 3.27Å; G196-V198 VanDerWaalsContact C-N 3.31Å
197	G	92.9	Very high	95.6	Very high	68 Å²	68	51 Å²	51	70%	0.701	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.4	2.4	-174.7	0	0	0	0	0	115.1	S195	S195-G197 PolarHBondContact O-N 3.46Å; S195-G197 VanDerWaalsContact O-N 3.08Å
198	V	94.9	Very high	95.6	Very high	27 Å²	27	47.4 Å²	47.4	16%	0.164	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	127	178.7	-177.4	0	0	0	0	109.8	K171 P175 K194 S195 G196	K171-V198 HydrophobicContact CG-CG2 4.18Å; P175-V198 HydrophobicContact CB-CB 3.93Å; P175-V198 HydrophobicContact CB-CG2 3.93Å; K194-V198 WeakPolarHBondContact CA-O 3.41Å; S195-V198 PolarHBondContact N-O 3.31Å; S195-V198 PolarHBondContact O-N 3.25Å; G196-V198 VanDerWaalsContact C-N 3.31Å
199	K	96.1	Very high	95.6	Very high	186 Å²	186	43.7 Å²	43.7	81%	0.809	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	134.7	174.6	-171.5	-179.9	179.1	-175.7	0	110	T193	T193-K199 CarbonylContact O-C 3.57Å; T193-K199 WeakPolarHBondContact O-CA 3.31Å
200	R	95.1	Very high	95.3	Very high	28 Å²	28	47.4 Å²	47.4	11%	0.106	25%	0.254	C	S	.	.			trans	-150.2	164.8	-171.1	47.4	-168.9	179.7	92.9	-6.8	111.4	S192 T193 W202 T203 C221	S192-R200 PolarHBondContact O-NE 3.49Å; S192-R200 PolarHBondContact O-NH2 2.93Å; T193-R200 VanDerWaalsContact CB-O 3.31Å; T193-R200 WeakPolarHBondContact CB-O 3.39Å; T193-R200 PolarHBondContact O-N 2.86Å; R200-W202 WeakPolarHBondContact CG-O 3.4Å; R200-W202 VanDerWaalsContact NH1-CH2 3.35Å; R200-W202 PolarHBondContact NH1-O 2.76Å; R200-T203 PolarHBondContact NH1-O 3.35Å; R200-T203 PolarHBondContact NH2-O 3.41Å; R200-C221 PolarHBondContact NH2-SG 2.89Å
201	D	96.2	Very high	94.5	Very high	141 Å²	141	45.5 Å²	45.5	75%	0.754	25%	0.251	S	S	*	.	S	Bend	trans	-90.6	-0.8	-177.9	65.1	-32.1	0	0	0	113.9
202	W	95.2	Very high	93.4	Very high	49 Å²	49	50.4 Å²	50.4	19%	0.186	28%	0.283	C	S	.	.			trans	-124.7	157.4	176.3	54.3	-85.6	0	0	0	110.9	R200 C221 K223	R200-W202 WeakPolarHBondContact CG-O 3.4Å; R200-W202 VanDerWaalsContact NH1-CH2 3.35Å; R200-W202 PolarHBondContact NH1-O 2.76Å; W202-C221 HydrophobicContact CH2-CB 4.39Å; W202-C221 WeakPolarHBondContact CH2-O 2.97Å; W202-C221 HydrophobicContact CZ3-CB 4.3Å; W202-K223 HydrophobicContact CB-CD 4.31Å; W202-K223 HydrophobicContact CB-CG 4.12Å; W202-K223 HydrophobicContact CD2-CB 3.55Å; W202-K223 HydrophobicContact CD2-CD 4.02Å; W202-K223 HydrophobicContact CD2-CG 3.64Å; W202-K223 HydrophobicContact CE3-CB 3.49Å; W202-K223 VanDerWaalsContact CE3-CB 3.49Å; W202-K223 HydrophobicContact CE3-CG 3.88Å; W202-K223 HydrophobicContact CG-CB 4.17Å; W202-K223 HydrophobicContact CG-CD 3.75Å; W202-K223 HydrophobicContact CG-CG 3.7Å; W202-K223 HydrophobicContact CH2-CB 4.13Å; W202-K223 HydrophobicContact CZ2-CB 4.1Å; W202-K223 VanDerWaalsContact CZ3-CA 3.4Å; W202-K223 HydrophobicContact CZ3-CB 3.82Å
203	T	95.1	Very high	92.1	Very high	35 Å²	35	53.2 Å²	53.2	22%	0.215	32%	0.317	C	S	.	.			trans	-92	-50.9	174.3	-64.6	0	0	0	0	112.2	C191 R200 E245	C191-T203 HydrophobicContact CB-CG2 4.45Å; C191-T203 VanDerWaalsContact CB-O 3.22Å; C191-T203 WeakPolarHBondContact CB-O 3.33Å; C191-T203 WeakPolarHBondContact O-CG2 3.24Å; R200-T203 PolarHBondContact NH1-O 3.35Å; R200-T203 PolarHBondContact NH2-O 3.41Å; T203-E245 VanDerWaalsContact CB-OE1 3.25Å; T203-E245 WeakPolarHBondContact CB-OE1 3.38Å; T203-E245 HydrophobicContact CG2-CB 3.92Å; T203-E245 HydrophobicContact CG2-CG 3.75Å; T203-E245 WeakPolarHBondContact CG2-OE1 3.48Å; T203-E245 WeakPolarHBondContact CG2-OE2 3.31Å
204	G	94.6	Very high	90.9	Very high	12 Å²	12	52.4 Å²	52.4	12%	0.124	31%	0.314	C	S	.	.			trans	66.9	-173.6	177.2	0	0	0	0	0	114.3	C191 V222	C191-G204 WeakPolarHBondContact CB-O 3.47Å; G204-V222 CarbonylContact C-O 3.5Å; G204-V222 WeakPolarHBondContact CA-O 3.16Å
205	V	95.8	Very high	89.8	Confident	5 Å²	5	49.3 Å²	49.3	3%	0.03	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	144.3	-167.6	-61.8	0	0	0	0	112.3	R207 C221 V222 P225 A244	V205-R207 VanDerWaalsContact CG2-CZ 3.42Å; V205-C221 WeakPolarHBondContact O-CA 3.44Å; V205-V222 PolarHBondContact N-O 2.03Å; V205-V222 PolarHBondContact O-N 3.45Å; V205-P225 HydrophobicContact CG1-CG 3.99Å; V205-P225 HydrophobicContact CG2-CB 4.22Å; V205-P225 HydrophobicContact CG2-CG 3.89Å; V205-A244 WeakPolarHBondContact CG1-O 3.17Å
206	P	96.6	Very high	89	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	136.2	175.9	-19.2	33.1	0	0	0	112.5	V189 V220 Y237 A244	V189-P206 HydrophobicContact CG2-CB 3.87Å; V189-P206 HydrophobicContact CG2-CG 4.35Å; P206-V220 CarbonylContact C-O 3.5Å; P206-V220 WeakPolarHBondContact CA-O 3.46Å; P206-Y237 HydrophobicContact CB-CD2 4.22Å; P206-Y237 HydrophobicContact CB-CE2 4.08Å; P206-A244 WeakPolarHBondContact CD-O 3.03Å
207	R	95.1	Very high	88.9	Confident	2 Å²	2	58.4 Å²	58.4	1%	0.008	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	145.4	173.9	-65.2	-64.3	-178.8	-97.5	2.1	111.6	V205 C219 V220 V222 A228 S242	V205-R207 VanDerWaalsContact CG2-CZ 3.42Å; R207-C219 CarbonylContact O-C 3.53Å; R207-C219 WeakPolarHBondContact O-CA 3.25Å; R207-V220 HydrophobicContact CB-CG2 4.27Å; R207-V220 PolarHBondContact N-O 2.85Å; R207-V220 PolarHBondContact O-N 3.36Å; R207-V222 HydrophobicContact CB-CG2 4.17Å; R207-V222 HydrophobicContact CG-CG2 3.9Å; R207-A228 HydrophobicContact CG-CB 4.07Å; R207-S242 PolarHBondContact NH2-O 2.97Å
208	K	93.7	Very high	88.9	Confident	18 Å²	18	58.5 Å²	58.5	8%	0.078	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	126.2	164.5	-67.6	179.9	176.8	-176.8	0	107.1	T217 R218 M234 Q235 Y237 D238 D252	K208-T217 HydrophobicContact CB-CG2 3.64Å; K208-T217 HydrophobicContact CG-CG2 4.1Å; K208-R218 CarbonylContact C-O 3.59Å; K208-M234 CarbonylContact O-C 3.53Å; K208-M234 VanDerWaalsContact O-CA 3.24Å; K208-M234 WeakPolarHBondContact O-CA 3.09Å; K208-Q235 HydrophobicContact CB-CB 4.15Å; K208-Q235 PolarHBondContact N-O 3.12Å; K208-Q235 PolarHBondContact O-N 3.04Å; K208-Y237 HydrophobicContact CD-CD1 4.27Å; K208-Y237 HydrophobicContact CD-CE1 4.22Å; K208-Y237 VanDerWaalsContact CE-CD1 3.46Å; K208-Y237 HydrophobicContact CG-CD1 3.94Å; K208-Y237 HydrophobicContact CG-CD2 4.45Å; K208-Y237 HydrophobicContact CG-CE1 3.57Å; K208-Y237 HydrophobicContact CG-CE2 4.13Å; K208-Y237 HydrophobicContact CG-CG 4.35Å; K208-D238 IonicContact NZ-OD2 3.7Å; K208-D238 PolarHBondContact NZ-OD2 2.82Å; K208-D252 IonicContact NZ-OD2 3.89Å; K208-D252 PolarHBondContact NZ-OD2 3.32Å
209	F	93.4	Very high	88.9	Confident	4 Å²	4	58.1 Å²	58.1	2%	0.018	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	125.9	177	-174.3	-100.5	0	0	0	109.9	F174 T217 R218 V220 H231 S233 M234	F174-F209 AromaticContact CD2-CE2 3.77Å; F174-F209 HydrophobicContact CD2-CE2 3.77Å; F174-F209 AromaticContact CD2-CZ 3.8Å; F174-F209 HydrophobicContact CD2-CZ 3.8Å; F174-F209 AromaticContact CE2-CE2 3.86Å; F174-F209 HydrophobicContact CE2-CE2 3.86Å; F174-F209 HydrophobicContact CE2-CZ 4.04Å; F174-F209 HydrophobicContact CG-CE2 4.32Å; F174-F209 HydrophobicContact CZ-CE2 4.49Å; F209-T217 WeakPolarHBondContact O-CA 3.43Å; F209-R218 HydrophobicContact CB-CG 4.36Å; F209-R218 HydrophobicContact CD1-CG 4.49Å; F209-R218 PolarHBondContact N-O 2.03Å; F209-R218 PolarHBondContact O-N 3.43Å; F209-V220 HydrophobicContact CB-CB 4.31Å; F209-V220 HydrophobicContact CB-CG1 3.59Å; F209-V220 HydrophobicContact CB-CG2 3.73Å; F209-V220 HydrophobicContact CD1-CG1 4.42Å; F209-V220 HydrophobicContact CD2-CG2 4.37Å; F209-V220 HydrophobicContact CG-CG1 4.05Å; F209-V220 HydrophobicContact CG-CG2 4.29Å; F209-H231 AromaticContact CE2-CE1 3.88Å; F209-S233 CarbonylContact C-O 3.58Å; F209-S233 VanDerWaalsContact CA-O 3.31Å; F209-S233 WeakPolarHBondContact CA-O 3.2Å; F209-M234 HydrophobicContact CD2-CE 3.6Å; F209-M234 HydrophobicContact CD2-CG 3.7Å; F209-M234 HydrophobicContact CE2-CE 3.81Å; F209-M234 HydrophobicContact CE2-CG 4.38Å
210	F	91.2	Very high	88.9	Confident	78 Å²	78	49.2 Å²	49.2	34%	0.342	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	101.4	-179.8	-58.5	-86.2	0	0	0	109.1	T217 S233 Q235	F210-T217 HydrophobicContact CD1-CG2 4.21Å; F210-T217 WeakPolarHBondContact CD1-OG1 3.21Å; F210-T217 HydrophobicContact CE1-CG2 3.93Å; F210-T217 WeakPolarHBondContact CE1-OG1 3.22Å; F210-T217 HydrophobicContact CZ-CG2 4.2Å; F210-S233 WeakPolarHBondContact CD2-O 3.21Å; F210-S233 PolarHBondContact N-O 2.74Å; F210-S233 WeakPolarHBondContact O-CB 3.3Å; F210-Q235 HydrophobicContact CE2-CB 3.92Å; F210-Q235 HydrophobicContact CZ-CB 4.48Å
211	S	80.8	Confident	89	Confident	29 Å²	29	47.9 Å²	47.9	20%	0.203	30%	0.298	C	S	.	.			trans	-68.5	128.7	176.5	-71	0	0	0	0	109.6	G213 S214	S211-G213 PolarHBondContact O-N 2.86Å; S211-S214 PolarHBondContact O-N 3.04Å; S211-S214 PolarHBondContact O-OG 3.03Å
212	P	74.6	Confident	88.9	Confident	108 Å²	108	41.9 Å²	41.9	70%	0.701	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	130.1	177.5	-25.1	33.8	0	0	0	111.4	S214	P212-S214 VanDerWaalsContact C-N 3.31Å; P212-S214 PolarHBondContact O-N 2.97Å
213	G	70.3	Confident	88.8	Confident	90 Å²	90	45.7 Å²	45.7	93%	0.928	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.5	-12.7	173.3	0	0	0	0	0	116.8	S211	S211-G213 PolarHBondContact O-N 2.86Å
214	S	72.3	Confident	88.5	Confident	54 Å²	54	47.9 Å²	47.9	38%	0.378	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-24.1	180	72.9	0	0	0	0	113.7	S211 P212 H216	S211-S214 PolarHBondContact O-N 3.04Å; S211-S214 PolarHBondContact O-OG 3.03Å; P212-S214 VanDerWaalsContact C-N 3.31Å; P212-S214 PolarHBondContact O-N 2.97Å; S214-H216 PolarHBondContact O-CD2 3.29Å; S214-H216 PolarHBondContact O-N 3.22Å; S214-H216 PolarHBondContact OG-N 3.09Å; S214-H216 VanDerWaalsContact OG-N 3.13Å; S214-H216 PolarHBondContact OG-O 2.82Å
215	G	73.4	Confident	87.9	Confident	80 Å²	80	49.1 Å²	49.1	83%	0.825	30%	0.301	S	S	*	.			trans	66.4	-1.9	-170	0	0	0	0	0	114.1
216	H	80.6	Confident	87.3	Confident	144 Å²	144	52.6 Å²	52.6	67%	0.667	33%	0.325	S	S	*	.			trans	-99.5	136.5	-177.9	-67.8	-73	0	0	0	111.2	S214	S214-H216 PolarHBondContact O-CD2 3.29Å; S214-H216 PolarHBondContact O-N 3.22Å; S214-H216 PolarHBondContact OG-N 3.09Å; S214-H216 VanDerWaalsContact OG-N 3.13Å; S214-H216 PolarHBondContact OG-O 2.82Å
217	T	89.7	Confident	86.4	Confident	69 Å²	69	55.2 Å²	55.2	42%	0.423	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	130.6	174.1	-54.4	0	0	0	0	109.5	K208 F209 F210	K208-T217 HydrophobicContact CB-CG2 3.64Å; K208-T217 HydrophobicContact CG-CG2 4.1Å; F209-T217 WeakPolarHBondContact O-CA 3.43Å; F210-T217 HydrophobicContact CD1-CG2 4.21Å; F210-T217 WeakPolarHBondContact CD1-OG1 3.21Å; F210-T217 HydrophobicContact CE1-CG2 3.93Å; F210-T217 WeakPolarHBondContact CE1-OG1 3.22Å; F210-T217 HydrophobicContact CZ-CG2 4.2Å
218	R	92.8	Very high	85.6	Confident	69 Å²	69	55.2 Å²	55.2	26%	0.26	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	157.1	175.9	67.6	-178.8	-178.7	92.6	-1.6	111.9	E170 F174 K208 F209 V220	E170-R218 IonicContact OE1-CZ 3.93Å; E170-R218 IonicContact OE1-NE 3.77Å; E170-R218 IonicContact OE1-NH2 2.74Å; E170-R218 PolarHBondContact OE1-NH2 2.84Å; F174-R218 PolarHBondContact O-NH1 3.2Å; F174-R218 VanDerWaalsContact O-NH1 3.1Å; K208-R218 CarbonylContact C-O 3.59Å; F209-R218 HydrophobicContact CB-CG 4.36Å; F209-R218 HydrophobicContact CD1-CG 4.49Å; F209-R218 PolarHBondContact N-O 2.03Å; F209-R218 PolarHBondContact O-N 3.43Å; R218-V220 HydrophobicContact CG-CG1 4.23Å
219	C	95.1	Very high	84.9	Confident	19 Å²	19	57.1 Å²	57.1	13%	0.128	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	131.3	173.1	-166.7	0	0	0	0	110.6	P176 C177 V189 R207 Y237	P176-C219 WeakPolarHBondContact CA-O 2.99Å; C177-C219 HydrophobicContact CB-CB 3.6Å; C177-C219 WeakPolarHBondContact CB-SG 3.48Å; C177-C219 PolarHBondContact N-O 2.73Å; C177-C219 VanDerWaalsContact N-O 3.17Å; C177-C219 WeakPolarHBondContact SG-CB 3.46Å; C177-C219 CovalentContact SG-SG 2.03Å; C177-C219 PolarHBondContact SG-SG 2.88Å; V189-C219 HydrophobicContact CG1-CB 4.2Å; V189-C219 VanDerWaalsContact CG2-SG 3.58Å; R207-C219 CarbonylContact O-C 3.53Å; R207-C219 WeakPolarHBondContact O-CA 3.25Å; C219-Y237 WeakPolarHBondContact CB-OH 3.39Å; C219-Y237 PolarHBondContact SG-OH 3.17Å; C219-Y237 VanDerWaalsContact SG-OH 3.4Å
220	V	96.2	Very high	84.5	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	151.2	172.2	-54.9	0	0	0	0	111.9	F174 P175 C177 P206 R207 F209 R218 V222 M234	F174-V220 HydrophobicContact CB-CB 3.95Å; F174-V220 HydrophobicContact CB-CG1 3.97Å; F174-V220 HydrophobicContact CB-CG2 4.25Å; P175-V220 CarbonylContact O-C 3.22Å; P175-V220 VanDerWaalsContact O-CA 3.31Å; P175-V220 WeakPolarHBondContact O-CA 2.88Å; C177-V220 PolarHBondContact SG-N 2.96Å; C177-V220 PolarHBondContact SG-O 2.72Å; P206-V220 CarbonylContact C-O 3.5Å; P206-V220 WeakPolarHBondContact CA-O 3.46Å; R207-V220 HydrophobicContact CB-CG2 4.27Å; R207-V220 PolarHBondContact N-O 2.85Å; R207-V220 PolarHBondContact O-N 3.36Å; F209-V220 HydrophobicContact CB-CB 4.31Å; F209-V220 HydrophobicContact CB-CG1 3.59Å; F209-V220 HydrophobicContact CB-CG2 3.73Å; F209-V220 HydrophobicContact CD1-CG1 4.42Å; F209-V220 HydrophobicContact CD2-CG2 4.37Å; F209-V220 HydrophobicContact CG-CG1 4.05Å; F209-V220 HydrophobicContact CG-CG2 4.29Å; R218-V220 HydrophobicContact CG-CG1 4.23Å; V220-V222 HydrophobicContact CG2-CG2 3.95Å; V220-M234 HydrophobicContact CG2-CE 4.2Å
221	C	96.6	Very high	84.2	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	132.1	171.5	-63.3	0	0	0	0	111	P175 C191 R200 W202 V205	P175-C221 HydrophobicContact CG-CB 4.22Å; P175-C221 PolarHBondContact O-N 3.18Å; C191-C221 WeakPolarHBondContact CA-SG 3.08Å; C191-C221 HydrophobicContact CB-CB 3.82Å; C191-C221 WeakPolarHBondContact CB-SG 2.94Å; C191-C221 WeakPolarHBondContact SG-CA 3.24Å; C191-C221 WeakPolarHBondContact SG-CB 3.48Å; C191-C221 CovalentContact SG-SG 2.03Å; C191-C221 PolarHBondContact SG-SG 3.16Å; R200-C221 PolarHBondContact NH2-SG 2.89Å; W202-C221 HydrophobicContact CH2-CB 4.39Å; W202-C221 WeakPolarHBondContact CH2-O 2.97Å; W202-C221 HydrophobicContact CZ3-CB 4.3Å; V205-C221 WeakPolarHBondContact O-CA 3.44Å
222	V	95	Very high	84.6	Confident	14 Å²	14	67.4 Å²	67.4	9%	0.085	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	136.9	179.7	-166.6	0	0	0	0	110.6	G204 V205 R207 V220 A228 M234	G204-V222 CarbonylContact C-O 3.5Å; G204-V222 WeakPolarHBondContact CA-O 3.16Å; V205-V222 PolarHBondContact N-O 2.03Å; V205-V222 PolarHBondContact O-N 3.45Å; R207-V222 HydrophobicContact CB-CG2 4.17Å; R207-V222 HydrophobicContact CG-CG2 3.9Å; V220-V222 HydrophobicContact CG2-CG2 3.95Å; V222-A228 HydrophobicContact CB-CB 4.07Å; V222-A228 HydrophobicContact CG1-CB 3.78Å; V222-A228 HydrophobicContact CG2-CB 4.19Å; V222-M234 HydrophobicContact CG2-CE 3.92Å; V222-M234 HydrophobicContact CG2-SD 3.82Å
223	K	92.9	Very high	85.3	Confident	129 Å²	129	63.6 Å²	63.6	56%	0.561	40%	0.404	S	S	*	.	S	Bend	trans	-70.1	-44.7	-176.3	-173.3	175.7	-177	171.3	0	112.3	W202	W202-K223 HydrophobicContact CB-CD 4.31Å; W202-K223 HydrophobicContact CB-CG 4.12Å; W202-K223 HydrophobicContact CD2-CB 3.55Å; W202-K223 HydrophobicContact CD2-CD 4.02Å; W202-K223 HydrophobicContact CD2-CG 3.64Å; W202-K223 HydrophobicContact CE3-CB 3.49Å; W202-K223 VanDerWaalsContact CE3-CB 3.49Å; W202-K223 HydrophobicContact CE3-CG 3.88Å; W202-K223 HydrophobicContact CG-CB 4.17Å; W202-K223 HydrophobicContact CG-CD 3.75Å; W202-K223 HydrophobicContact CG-CG 3.7Å; W202-K223 HydrophobicContact CH2-CB 4.13Å; W202-K223 HydrophobicContact CZ2-CB 4.1Å; W202-K223 VanDerWaalsContact CZ3-CA 3.4Å; W202-K223 HydrophobicContact CZ3-CB 3.82Å
224	D	87.7	Confident	86.3	Confident	82 Å²	82	60.2 Å²	60.2	44%	0.439	36%	0.364	S	S	.	.			trans	-111	109.2	-176.6	-176.2	-10.4	0	0	0	109.9	S226 A227 A228	D224-S226 PolarHBondContact O-N 3.4Å; D224-S226 WeakPolarHBondContact OD1-CB 3Å; D224-S226 PolarHBondContact OD1-N 2.83Å; D224-A227 HydrophobicContact CB-CB 3.94Å; D224-A227 PolarHBondContact O-N 3.36Å; D224-A227 PolarHBondContact OD1-N 3.41Å; D224-A228 PolarHBondContact O-N 2.83Å; D224-A228 VanDerWaalsContact O-N 3.11Å
225	P	82.4	Confident	87.3	Confident	37 Å²	37	62.1 Å²	62.1	24%	0.24	37%	0.367	C	S	.	.	H	α-helix	trans	-56.3	-29.7	176.1	-27.3	35.4	0	0	0	115.1	V205 A229 S242	V205-P225 HydrophobicContact CG1-CG 3.99Å; V205-P225 HydrophobicContact CG2-CB 4.22Å; V205-P225 HydrophobicContact CG2-CG 3.89Å; P225-A229 PolarHBondContact O-N 3.17Å; P225-S242 WeakPolarHBondContact CB-O 3.35Å
226	S	82.9	Confident	88.2	Confident	79 Å²	79	62.6 Å²	62.6	55%	0.552	35%	0.346	S	S	*	.	H	α-helix	trans	-78	-48.7	-178	-62.1	0	0	0	0	110.5	D224 A228 A229 D230	D224-S226 PolarHBondContact O-N 3.4Å; D224-S226 WeakPolarHBondContact OD1-CB 3Å; D224-S226 PolarHBondContact OD1-N 2.83Å; S226-A228 PolarHBondContact O-N 2.91Å; S226-A229 WeakPolarHBondContact O-CB 3.43Å; S226-A229 PolarHBondContact O-N 3.23Å; S226-D230 PolarHBondContact O-N 2.02Å
227	A	77.1	Confident	88.7	Confident	54 Å²	54	56.6 Å²	56.6	45%	0.446	32%	0.318	S	S	.	.	H	α-helix	trans	-58.8	-33	173.8	0	0	0	0	0	112.3	D224 A229 D230 H231	D224-A227 HydrophobicContact CB-CB 3.94Å; D224-A227 PolarHBondContact O-N 3.36Å; D224-A227 PolarHBondContact OD1-N 3.41Å; A227-A229 VanDerWaalsContact C-N 3.32Å; A227-D230 PolarHBondContact O-N 2.91Å; A227-H231 PolarHBondContact O-N 3.38Å
228	A	79.4	Confident	88.8	Confident	2 Å²	2	58.7 Å²	58.7	2%	0.017	33%	0.326	C	S	.	.	H	α-helix	trans	-67.5	-30.4	174.2	0	0	0	0	0	113.5	R207 V222 D224 S226 D230 M234	R207-A228 HydrophobicContact CG-CB 4.07Å; V222-A228 HydrophobicContact CB-CB 4.07Å; V222-A228 HydrophobicContact CG1-CB 3.78Å; V222-A228 HydrophobicContact CG2-CB 4.19Å; D224-A228 PolarHBondContact O-N 2.83Å; D224-A228 VanDerWaalsContact O-N 3.11Å; S226-A228 PolarHBondContact O-N 2.91Å; A228-D230 VanDerWaalsContact C-N 3.34Å; A228-M234 HydrophobicContact CB-SD 3.92Å; A228-M234 WeakPolarHBondContact O-CB 3.38Å
229	A	79.6	Confident	88.6	Confident	59 Å²	59	59.6 Å²	59.6	49%	0.488	36%	0.357	S	S	.	.	H	α-helix	trans	-74.3	-28.5	180	0	0	0	0	0	112.1	P225 S226 A227	P225-A229 PolarHBondContact O-N 3.17Å; S226-A229 WeakPolarHBondContact O-CB 3.43Å; S226-A229 PolarHBondContact O-N 3.23Å; A227-A229 VanDerWaalsContact C-N 3.32Å
230	D	83.5	Confident	88.4	Confident	141 Å²	141	59.5 Å²	59.5	75%	0.754	36%	0.356	S	S	*	.	S	Bend	trans	-86.8	-7.5	178	-61.8	-33.2	0	0	0	113	S226 A227 A228	S226-D230 PolarHBondContact O-N 2.02Å; A227-D230 PolarHBondContact O-N 2.91Å; A228-D230 VanDerWaalsContact C-N 3.34Å
231	H	85.6	Confident	88.2	Confident	60 Å²	60	63 Å²	63	28%	0.278	38%	0.38	S	S	.	.			trans	-80.9	124	-178	-168.8	-74.2	0	0	0	111.1	F209 A227 S233 M234	F209-H231 AromaticContact CE2-CE1 3.88Å; A227-H231 PolarHBondContact O-N 3.38Å; H231-S233 PolarHBondContact ND1-N 3.44Å; H231-S233 VanDerWaalsContact ND1-N 3.18Å; H231-S233 PolarHBondContact O-N 3.33Å; H231-S233 VanDerWaalsContact O-N 3.1Å; H231-M234 HydrophobicContact CB-CB 4.1Å; H231-M234 HydrophobicContact CB-CG 4.06Å; H231-M234 HydrophobicContact CB-SD 3.96Å; H231-M234 PolarHBondContact O-N 3.09Å
232	P	88.3	Confident	87.8	Confident	126 Å²	126	65.7 Å²	65.7	82%	0.818	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-25.2	-171.4	25.2	-35.3	0	0	0	113.9
233	S	89.9	Confident	87.6	Confident	27 Å²	27	70.6 Å²	70.6	19%	0.189	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	17.2	178.5	-48.8	0	0	0	0	114	F209 F210 H231	F209-S233 CarbonylContact C-O 3.58Å; F209-S233 VanDerWaalsContact CA-O 3.31Å; F209-S233 WeakPolarHBondContact CA-O 3.2Å; F210-S233 WeakPolarHBondContact CD2-O 3.21Å; F210-S233 PolarHBondContact N-O 2.74Å; F210-S233 WeakPolarHBondContact O-CB 3.3Å; H231-S233 PolarHBondContact ND1-N 3.44Å; H231-S233 VanDerWaalsContact ND1-N 3.18Å; H231-S233 PolarHBondContact O-N 3.33Å; H231-S233 VanDerWaalsContact O-N 3.1Å
234	M	91.9	Very high	87.6	Confident	19 Å²	19	65.4 Å²	65.4	9%	0.094	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	146.4	-178.2	-72.4	-175.6	-173.4	0	0	113.6	F174 K208 F209 V220 V222 A228 H231	F174-M234 HydrophobicContact CD1-CE 3.36Å; F174-M234 HydrophobicContact CD2-CE 4.43Å; F174-M234 HydrophobicContact CE1-CE 3.2Å; F174-M234 HydrophobicContact CE2-CE 4.29Å; F174-M234 HydrophobicContact CG-CE 4Å; F174-M234 HydrophobicContact CZ-CE 3.7Å; K208-M234 CarbonylContact O-C 3.53Å; K208-M234 VanDerWaalsContact O-CA 3.24Å; K208-M234 WeakPolarHBondContact O-CA 3.09Å; F209-M234 HydrophobicContact CD2-CE 3.6Å; F209-M234 HydrophobicContact CD2-CG 3.7Å; F209-M234 HydrophobicContact CE2-CE 3.81Å; F209-M234 HydrophobicContact CE2-CG 4.38Å; V220-M234 HydrophobicContact CG2-CE 4.2Å; V222-M234 HydrophobicContact CG2-CE 3.92Å; V222-M234 HydrophobicContact CG2-SD 3.82Å; A228-M234 HydrophobicContact CB-SD 3.92Å; A228-M234 WeakPolarHBondContact O-CB 3.38Å; H231-M234 HydrophobicContact CB-CB 4.1Å; H231-M234 HydrophobicContact CB-CG 4.06Å; H231-M234 HydrophobicContact CB-SD 3.96Å; H231-M234 PolarHBondContact O-N 3.09Å
235	Q	91.9	Very high	88	Confident	94 Å²	94	66.5 Å²	66.5	44%	0.439	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	151.7	173	-167.2	-177.1	3.5	0	0	111.1	K208 F210	K208-Q235 HydrophobicContact CB-CB 4.15Å; K208-Q235 PolarHBondContact N-O 3.12Å; K208-Q235 PolarHBondContact O-N 3.04Å; F210-Q235 HydrophobicContact CE2-CB 3.92Å; F210-Q235 HydrophobicContact CZ-CB 4.48Å
236	K	92.6	Very high	88.7	Confident	91 Å²	91	66.6 Å²	66.6	40%	0.396	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-71.7	155.6	170.1	-66.9	177.6	-177.6	171.8	0	110.5
237	Y	91.9	Very high	89.3	Confident	18 Å²	18	63 Å²	63	7%	0.071	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-76.1	139.4	165.8	-76.4	-80.2	0	0	0	110.1	V189 P206 K208 C219 G239 C240 C247 V249	V189-Y237 HydrophobicContact CG2-CD2 4.37Å; V189-Y237 HydrophobicContact CG2-CE2 3.92Å; P206-Y237 HydrophobicContact CB-CD2 4.22Å; P206-Y237 HydrophobicContact CB-CE2 4.08Å; K208-Y237 HydrophobicContact CD-CD1 4.27Å; K208-Y237 HydrophobicContact CD-CE1 4.22Å; K208-Y237 VanDerWaalsContact CE-CD1 3.46Å; K208-Y237 HydrophobicContact CG-CD1 3.94Å; K208-Y237 HydrophobicContact CG-CD2 4.45Å; K208-Y237 HydrophobicContact CG-CE1 3.57Å; K208-Y237 HydrophobicContact CG-CE2 4.13Å; K208-Y237 HydrophobicContact CG-CG 4.35Å; C219-Y237 WeakPolarHBondContact CB-OH 3.39Å; C219-Y237 PolarHBondContact SG-OH 3.17Å; C219-Y237 VanDerWaalsContact SG-OH 3.4Å; Y237-G239 PolarHBondContact O-N 2.76Å; Y237-C240 WeakPolarHBondContact O-CB 3.3Å; Y237-C240 PolarHBondContact O-N 2.75Å; Y237-C240 VanDerWaalsContact O-N 3.09Å; Y237-C247 HydrophobicContact CD2-CB 4.32Å; Y237-C247 HydrophobicContact CG-CB 4.35Å; Y237-V249 HydrophobicContact CD1-CB 4.29Å; Y237-V249 HydrophobicContact CD1-CG1 3.78Å; Y237-V249 HydrophobicContact CD1-CG2 3.72Å; Y237-V249 HydrophobicContact CE1-CB 4.23Å; Y237-V249 HydrophobicContact CE1-CG1 3.55Å; Y237-V249 HydrophobicContact CE1-CG2 3.6Å; Y237-V249 HydrophobicContact CG-CG2 4.39Å
238	D	90.6	Very high	90	Very high	112 Å²	112	65.1 Å²	65.1	60%	0.599	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	132.1	178.1	-57.7	-62.2	0	0	0	110.3	K208 C240	K208-D238 IonicContact NZ-OD2 3.7Å; K208-D238 PolarHBondContact NZ-OD2 2.82Å; D238-C240 PolarHBondContact O-N 2.86Å
239	G	89.4	Confident	90.5	Very high	88 Å²	88	65.9 Å²	65.9	91%	0.907	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	71	2.9	-175.9	0	0	0	0	0	115.4	Y237	Y237-G239 PolarHBondContact O-N 2.76Å
240	C	91.6	Very high	90.3	Very high	17 Å²	17	65.5 Å²	65.5	12%	0.115	39%	0.392	C	S	.	.			trans	-94.4	124.7	176.1	-164	0	0	0	0	111.9	Y237 D238 C247	Y237-C240 WeakPolarHBondContact O-CB 3.3Å; Y237-C240 PolarHBondContact O-N 2.75Å; Y237-C240 VanDerWaalsContact O-N 3.09Å; D238-C240 PolarHBondContact O-N 2.86Å; C240-C247 HydrophobicContact CB-CB 3.66Å; C240-C247 WeakPolarHBondContact CB-SG 2.88Å; C240-C247 VanDerWaalsContact SG-CA 3.56Å; C240-C247 WeakPolarHBondContact SG-CB 3.47Å; C240-C247 CovalentContact SG-SG 2.02Å; C240-C247 PolarHBondContact SG-SG 3.42Å
241	P	91.3	Very high	89.3	Confident	75 Å²	75	65.8 Å²	65.8	49%	0.487	39%	0.393	S	S	.	.			trans	-55.9	148.7	174.7	-23.2	32.1	0	0	0	112.3	D243 A244	P241-D243 PolarHBondContact O-N 3.21Å; P241-A244 HydrophobicContact CB-CB 3.94Å; P241-A244 HydrophobicContact CG-CB 4.13Å; P241-A244 WeakPolarHBondContact O-CB 3.08Å; P241-A244 PolarHBondContact O-N 2.93Å
242	S	88.1	Confident	87.7	Confident	56 Å²	56	71.2 Å²	71.2	39%	0.392	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-29.7	-175.2	45	0	0	0	0	113.8	R207 P225	R207-S242 PolarHBondContact NH2-O 2.97Å; P225-S242 WeakPolarHBondContact CB-O 3.35Å
243	D	90.9	Very high	87.7	Confident	116 Å²	116	68.5 Å²	68.5	62%	0.62	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	0.8	-179.2	60.5	-21.8	0	0	0	113	P241 E245	P241-D243 PolarHBondContact O-N 3.21Å; D243-E245 PolarHBondContact O-N 3.19Å
244	A	93.7	Very high	87.5	Confident	20 Å²	20	70.6 Å²	70.6	17%	0.165	42%	0.416	C	S	.	.			trans	-68.3	127.8	-178.9	0	0	0	0	0	111.2	V205 P206 P241 S246	V205-A244 WeakPolarHBondContact CG1-O 3.17Å; P206-A244 WeakPolarHBondContact CD-O 3.03Å; P241-A244 HydrophobicContact CB-CB 3.94Å; P241-A244 HydrophobicContact CG-CB 4.13Å; P241-A244 WeakPolarHBondContact O-CB 3.08Å; P241-A244 PolarHBondContact O-N 2.93Å; A244-S246 PolarHBondContact O-N 2.64Å
245	E	96.1	Very high	87.3	Confident	106 Å²	106	73.5 Å²	73.5	50%	0.495	43%	0.434	S	S	.	.	S	Bend	trans	-76.9	-9.7	173.8	-55.9	-173.1	149.3	0	0	111.9	W190 C191 T203 D243	W190-E245 CarbonylContact C-O 3.57Å; W190-E245 WeakPolarHBondContact CA-O 3.32Å; W190-E245 VanDerWaalsContact CB-O 3.3Å; W190-E245 WeakPolarHBondContact CB-O 3.46Å; C191-E245 PolarHBondContact N-O 2.99Å; T203-E245 VanDerWaalsContact CB-OE1 3.25Å; T203-E245 WeakPolarHBondContact CB-OE1 3.38Å; T203-E245 HydrophobicContact CG2-CB 3.92Å; T203-E245 HydrophobicContact CG2-CG 3.75Å; T203-E245 WeakPolarHBondContact CG2-OE1 3.48Å; T203-E245 WeakPolarHBondContact CG2-OE2 3.31Å; D243-E245 PolarHBondContact O-N 3.19Å
246	S	96.4	Very high	87	Confident	38 Å²	38	72.3 Å²	72.3	27%	0.266	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	135.3	-178.1	-172.8	0	0	0	0	112.1	R188 V189 A244	R188-S246 PolarHBondContact NE-OG 3.3Å; R188-S246 PolarHBondContact NH2-OG 2.88Å; R188-S246 VanDerWaalsContact NH2-OG 3.12Å; V189-S246 CarbonylContact O-C 3.58Å; V189-S246 WeakPolarHBondContact O-CA 3.45Å; V189-S246 PolarHBondContact O-OG 3.44Å; A244-S246 PolarHBondContact O-N 2.64Å
247	C	94.9	Very high	86.7	Confident	3 Å²	3	71.1 Å²	71.1	2%	0.02	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	137.5	-178.4	-55.4	0	0	0	0	110.8	R188 V189 Y237 C240	R188-C247 WeakPolarHBondContact CA-O 3.48Å; V189-C247 HydrophobicContact CG2-CB 4.06Å; V189-C247 PolarHBondContact N-O 2.68Å; V189-C247 PolarHBondContact O-N 3.21Å; Y237-C247 HydrophobicContact CD2-CB 4.32Å; Y237-C247 HydrophobicContact CG-CB 4.35Å; C240-C247 HydrophobicContact CB-CB 3.66Å; C240-C247 WeakPolarHBondContact CB-SG 2.88Å; C240-C247 VanDerWaalsContact SG-CA 3.56Å; C240-C247 WeakPolarHBondContact SG-CB 3.47Å; C240-C247 CovalentContact SG-SG 2.02Å; C240-C247 PolarHBondContact SG-SG 3.42Å
248	M	93.2	Very high	86.3	Confident	99 Å²	99	74.7 Å²	74.7	49%	0.488	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	136.8	159.4	-60.2	-54.3	-64.2	0	0	108.3	T185 R188	T185-M248 WeakPolarHBondContact O-CE 3.33Å; R188-M248 HydrophobicContact CB-CE 4.24Å; R188-M248 HydrophobicContact CB-SD 3.74Å; R188-M248 HydrophobicContact CG-SD 3.9Å
249	V	89	Confident	86	Confident	18 Å²	18	72 Å²	72	11%	0.109	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	126.6	-178.7	-171.1	0	0	0	0	107.4	K187 V189 Y237	K187-V249 HydrophobicContact CB-CB 4.27Å; K187-V249 HydrophobicContact CD-CB 4.39Å; K187-V249 HydrophobicContact CG-CB 4.35Å; K187-V249 PolarHBondContact O-N 3.01Å; V189-V249 HydrophobicContact CB-CG2 4.35Å; V189-V249 HydrophobicContact CG1-CG2 4.05Å; V189-V249 HydrophobicContact CG2-CG2 3.58Å; Y237-V249 HydrophobicContact CD1-CB 4.29Å; Y237-V249 HydrophobicContact CD1-CG1 3.78Å; Y237-V249 HydrophobicContact CD1-CG2 3.72Å; Y237-V249 HydrophobicContact CE1-CB 4.23Å; Y237-V249 HydrophobicContact CE1-CG1 3.55Å; Y237-V249 HydrophobicContact CE1-CG2 3.6Å; Y237-V249 HydrophobicContact CG-CG2 4.39Å
250	G	75.4	Confident	85.7	Confident	51 Å²	51	70.8 Å²	70.8	53%	0.526	42%	0.415	S	S	.	.			trans	-65	163.8	172.2	0	0	0	0	0	111.7	D252	G250-D252 PolarHBondContact O-N 2.87Å
251	D	61.6	Low	85.3	Confident	147 Å²	147	75.3 Å²	75.3	79%	0.786	44%	0.44	S	S	*	.			trans	-74.3	78.8	169.3	-61.6	-41	0	0	0	108.3
252	D	52.5	Low	84.7	Confident	174 Å²	174	75.3 Å²	75.3	93%	0.93	44%	0.436	S	S	*	.			trans	-75.3	0	169.7	-70.3	-25.9	0	0	0	110.8	K208 G250	K208-D252 IonicContact NZ-OD2 3.89Å; K208-D252 PolarHBondContact NZ-OD2 3.32Å; G250-D252 PolarHBondContact O-N 2.87Å

Retrieved 252 of 252 residues in 152.5 ms (Link to these results)

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