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N-acetylglucosamine-1-phosphotransferase subunit gamma

Non-catalytic subunit of the N-acetylglucosamine-1-phosphotransferase complex, an enzyme that catalyzes the formation of mannose 6-phosphate (M6P) markers on high mannose type oligosaccharides in the Golgi apparatus. Binds and presents the high mannose glycans of the acceptor to the catalytic alpha and beta subunits (GNPTAB). Enhances the rate of N-acetylglucosamine-1-phosphate transfer to the oligosaccharides of acid hydrolase acceptors.

AlphaFold DB , UniProt , Accession A0A096NKQ5, Species PAPAN (Papio anubis, Olive baboon), Gene GNPTG, Length 305 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	42.1	Very low	44.2	Very low	249 Å²	249	151.1 Å²	151.1	100%	1.227	85%	0.849	S	S	*	*				0	96.2	0	-69.3	-98.3	-108.6	0	0	106.9
2	A	39.4	Very low	44.4	Very low	106 Å²	106	151.1 Å²	151.1	88%	0.876	84%	0.844	S	S	*	*			trans	-86.3	139.4	180	0	0	0	0	0	109.4
3	A	42	Very low	44.4	Very low	96 Å²	96	145.1 Å²	145.1	79%	0.793	84%	0.837	S	S	*	*			trans	-158.2	93.7	154.7	0	0	0	0	0	107.8
4	G	41.7	Very low	44.5	Very low	77 Å²	77	146.3 Å²	146.3	79%	0.794	84%	0.838	S	S	*	*			trans	-69.9	147	162.9	0	0	0	0	0	109.6
5	L	46.3	Very low	44.8	Very low	175 Å²	175	143.9 Å²	143.9	92%	0.916	83%	0.834	S	S	*	*			trans	-129	124.9	165.8	-107.5	127.9	0	0	0	110.3
6	V	49.8	Very low	44.9	Very low	127 Å²	127	141.4 Å²	141.4	77%	0.77	84%	0.835	S	S	*	*			trans	-69.5	140.7	-168.9	165.1	0	0	0	0	111.5
7	R	46.5	Very low	44.9	Very low	225 Å²	225	147.4 Å²	147.4	85%	0.849	84%	0.84	S	S	*	*			trans	-62.8	129.1	165.9	-88.6	177.2	161.5	171.9	-5.7	110.6
8	V	47.6	Very low	44.9	Very low	124 Å²	124	142.7 Å²	142.7	75%	0.752	83%	0.829	S	S	*	*			trans	-121.4	104.8	158.1	179.9	0	0	0	0	107.8	L10	V8-L10 PolarHBondContact O-N 3.42Å
9	L	45.7	Very low	45.3	Very low	135 Å²	135	142.2 Å²	142.2	71%	0.707	83%	0.831	S	S	*	*			trans	-81.8	105.5	170.6	-83.8	156.4	0	0	0	108	F11	L9-F11 PolarHBondContact O-N 2.84Å
10	L	43.2	Very low	45.5	Very low	150 Å²	150	139.5 Å²	139.5	79%	0.785	83%	0.826	S	S	*	*			trans	-78	105.5	171.1	-92.5	149.9	0	0	0	109.5	V8 L12	V8-L10 PolarHBondContact O-N 3.42Å; L10-L12 PolarHBondContact O-N 3.18Å
11	F	41.8	Very low	45.6	Very low	198 Å²	198	138.9 Å²	138.9	87%	0.868	83%	0.825	S	S	*	*			trans	-74	98.2	164.9	-79	-85.1	0	0	0	109.3	L9 G13	L9-F11 PolarHBondContact O-N 2.84Å; F11-G13 PolarHBondContact O-N 2.84Å
12	L	46.4	Very low	46	Very low	151 Å²	151	131.7 Å²	131.7	79%	0.791	81%	0.806	S	S	*	*			trans	-82.9	96.9	166.1	-84	160.1	0	0	0	109	L10 L14	L10-L12 PolarHBondContact O-N 3.18Å; L12-L14 PolarHBondContact O-N 3.46Å
13	G	45.3	Very low	46.3	Very low	73 Å²	73	130 Å²	130	75%	0.753	80%	0.798	S	S	*	*			trans	-70.3	100.5	165.3	0	0	0	0	0	110.3	F11 S15	F11-G13 PolarHBondContact O-N 2.84Å; G13-S15 PolarHBondContact O-N 3.12Å
14	L	45.2	Very low	46.8	Very low	162 Å²	162	130.1 Å²	130.1	85%	0.848	80%	0.799	S	S	*	*			trans	-87.8	97.3	166.3	-89.1	142.6	0	0	0	108.5	L12 A16	L12-L14 PolarHBondContact O-N 3.46Å; L14-A16 PolarHBondContact O-N 3.3Å
15	S	48.5	Very low	47.1	Very low	111 Å²	111	130.6 Å²	130.6	78%	0.776	80%	0.796	S	S	*	*			trans	-56.7	121.5	170.2	-59.1	0	0	0	0	110.4	G13 R17	G13-S15 PolarHBondContact O-N 3.12Å; S15-R17 PolarHBondContact O-N 2.93Å
16	A	46.9	Very low	47.3	Very low	103 Å²	103	131.9 Å²	131.9	85%	0.851	79%	0.794	S	S	*	*			trans	-57.3	116.4	170.5	0	0	0	0	0	110.3	L14	L14-A16 PolarHBondContact O-N 3.3Å
17	R	44.8	Very low	47.5	Very low	244 Å²	244	134.2 Å²	134.2	92%	0.921	80%	0.799	S	S	*	*			trans	-104.6	93.1	160.2	-81.3	-177.7	173.3	176.3	-1.4	107.4	S15	S15-R17 PolarHBondContact O-N 2.93Å
18	G	46	Very low	47.9	Very low	62 Å²	62	132.3 Å²	132.3	64%	0.639	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-61.4	151.2	164.8	0	0	0	0	0	110.2	A20	G18-A20 PolarHBondContact O-N 3.33Å
19	P	52	Low	48.1	Very low	134 Å²	134	132.1 Å²	132.1	87%	0.87	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-61.6	125.6	173.8	24.6	-30.4	0	0	0	109.2
20	A	48.7	Very low	48.2	Very low	88 Å²	88	131.8 Å²	131.8	73%	0.727	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-57.5	140.2	173.7	0	0	0	0	0	109.7	G18 A22	G18-A20 PolarHBondContact O-N 3.33Å; A20-A22 PolarHBondContact O-N 3.02Å; A20-A22 VanDerWaalsContact O-N 3.08Å
21	P	48.1	Very low	48.8	Very low	126 Å²	126	131.7 Å²	131.7	82%	0.818	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-64.4	116.9	170.9	27.4	-30.1	0	0	0	107.1	G23	P21-G23 PolarHBondContact O-N 3.19Å
22	A	50.3	Low	49.1	Very low	99 Å²	99	130.2 Å²	130.2	82%	0.818	79%	0.79	S	S	*	*			trans	-54.2	113.9	167.4	0	0	0	0	0	106.8	A20 A24	A20-A22 PolarHBondContact O-N 3.02Å; A20-A22 VanDerWaalsContact O-N 3.08Å; A22-A24 PolarHBondContact O-N 2.84Å; A22-A24 VanDerWaalsContact O-N 3.14Å
23	G	45.3	Very low	49.1	Very low	70 Å²	70	128.5 Å²	128.5	72%	0.722	79%	0.788	S	S	*	*			trans	-52.4	123.8	179.6	0	0	0	0	0	108.8	P21 A25	P21-G23 PolarHBondContact O-N 3.19Å; G23-A25 VanDerWaalsContact C-N 3.31Å; G23-A25 PolarHBondContact O-N 3.28Å
24	A	52.8	Low	49	Very low	98 Å²	98	130.3 Å²	130.3	81%	0.81	78%	0.78	S	S	*	*			trans	-55.3	101.5	167.3	0	0	0	0	0	107.1	A22 K26	A22-A24 PolarHBondContact O-N 2.84Å; A22-A24 VanDerWaalsContact O-N 3.14Å; A24-K26 PolarHBondContact O-N 3.48Å
25	A	48.3	Very low	49.1	Very low	87 Å²	87	127 Å²	127	72%	0.719	77%	0.767	S	S	*	*			trans	-59.3	109.7	169.7	0	0	0	0	0	105.7	G23 M27	G23-A25 VanDerWaalsContact C-N 3.31Å; G23-A25 PolarHBondContact O-N 3.28Å; A25-M27 PolarHBondContact O-N 2.94Å
26	K	49.9	Very low	49.2	Very low	203 Å²	203	129.7 Å²	129.7	88%	0.883	77%	0.765	S	S	*	*			trans	-62.2	93	168.3	-72.2	-178.5	178.2	179.1	0	106.1	A24 K28	A24-K26 PolarHBondContact O-N 3.48Å; K26-K28 VanDerWaalsContact C-N 3.25Å; K26-K28 PolarHBondContact O-N 3.41Å
27	M	54.5	Low	49.3	Very low	176 Å²	176	126.8 Å²	126.8	87%	0.867	75%	0.745	S	S	*	*			trans	-61.4	99.6	161.1	-77.1	178.8	173.4	0	0	105.4	A25 V29	A25-M27 PolarHBondContact O-N 2.94Å; M27-V29 PolarHBondContact O-N 2.8Å; M27-V29 VanDerWaalsContact O-N 3.08Å
28	K	54.1	Low	49.5	Very low	185 Å²	185	120.4 Å²	120.4	80%	0.804	73%	0.733	S	S	*	*			trans	-63.4	110.9	163.1	-173.9	170.9	180	179.3	0	104.3	K26 V30	K26-K28 VanDerWaalsContact C-N 3.25Å; K26-K28 PolarHBondContact O-N 3.41Å; K28-V30 PolarHBondContact O-N 2.8Å
29	V	53.3	Low	49.4	Very low	120 Å²	120	125.1 Å²	125.1	73%	0.727	74%	0.744	S	S	*	*			trans	-47.9	116	164.8	172.7	0	0	0	0	105.1	M27 E31	M27-V29 PolarHBondContact O-N 2.8Å; M27-V29 VanDerWaalsContact O-N 3.08Å; V29-E31 PolarHBondContact O-N 3.06Å
30	V	46.1	Very low	49.3	Very low	127 Å²	127	122.7 Å²	122.7	77%	0.77	72%	0.723	S	S	*	*			trans	-65.4	98.9	166.3	172	0	0	0	0	103.2	K28 E32	K28-V30 PolarHBondContact O-N 2.8Å; V30-E32 PolarHBondContact O-N 3.31Å
31	E	57	Low	49.7	Very low	148 Å²	148	123.9 Å²	123.9	69%	0.692	72%	0.723	S	S	*	*			trans	-46.7	125.7	158.9	-82.8	174.6	148.4	0	0	105.8	V29	V29-E31 PolarHBondContact O-N 3.06Å
32	E	47.9	Very low	49.7	Very low	168 Å²	168	126.4 Å²	126.4	79%	0.785	72%	0.722	S	S	*	*			trans	-37.1	132.8	174.1	-64.1	176.3	159.5	0	0	108.2	V30 N34	V30-E32 PolarHBondContact O-N 3.31Å; E32-N34 VanDerWaalsContact C-N 3.35Å; E32-N34 WeakPolarHBondContact O-CA 3.48Å; E32-N34 PolarHBondContact O-N 3.27Å
33	P	47.2	Very low	49.5	Very low	115 Å²	115	126.1 Å²	126.1	75%	0.747	71%	0.706	S	S	*	*			trans	-53.5	109.3	-176.9	23.1	-31.4	0	0	0	106.6	T35	P33-T35 PolarHBondContact O-N 3.46Å; P33-T35 VanDerWaalsContact O-N 3.17Å
34	N	41.7	Very low	49.3	Very low	110 Å²	110	127.6 Å²	127.6	59%	0.588	70%	0.703	S	S	*	*			trans	-39.7	126	-171.3	-75.2	-53	0	0	0	108.9	E32 F36	E32-N34 VanDerWaalsContact C-N 3.35Å; E32-N34 WeakPolarHBondContact O-CA 3.48Å; E32-N34 PolarHBondContact O-N 3.27Å; N34-F36 WeakPolarHBondContact O-CD2 3.47Å; N34-F36 PolarHBondContact O-N 2.9Å
35	T	48	Very low	49.1	Very low	94 Å²	94	131.5 Å²	131.5	58%	0.577	70%	0.704	S	S	*	*			trans	-39.3	96.3	153.3	2.8	0	0	0	0	107.6	P33 G37	P33-T35 PolarHBondContact O-N 3.46Å; P33-T35 VanDerWaalsContact O-N 3.17Å; T35-G37 PolarHBondContact O-N 2.83Å
36	F	50.9	Low	48.8	Very low	167 Å²	167	132 Å²	132	73%	0.732	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.3	114.2	-172.1	-82.8	-90.2	0	0	0	107.8	N34	N34-F36 WeakPolarHBondContact O-CD2 3.47Å; N34-F36 PolarHBondContact O-N 2.9Å
37	G	47.8	Very low	49	Very low	42 Å²	42	127 Å²	127	43%	0.433	70%	0.699	S	S	.	*	T	Hydrogen-bonded Turn	trans	101.6	1.3	152	0	0	0	0	0	119.2	T35	T35-G37 PolarHBondContact O-N 2.83Å
38	V	50	Low	49.5	Very low	110 Å²	110	127.7 Å²	127.7	67%	0.667	69%	0.692	S	S	*	*	S	Bend	trans	-85.4	-19.2	-174.1	-155.4	0	0	0	0	113.9
39	N	42.8	Very low	50.8	Low	161 Å²	161	121 Å²	121	86%	0.861	67%	0.665	S	S	*	*	S	Bend	trans	-135	35	-178.5	-71.3	-42.6	0	0	0	114	P41	N39-P41 WeakPolarHBondContact O-CD 3.41Å
40	N	50.9	Low	52.3	Low	83 Å²	83	122.3 Å²	122.3	44%	0.444	66%	0.663	S	S	.	*			trans	-99.2	110.1	172.9	-165.5	7.4	0	0	0	110.4	F42 L43	N40-F42 PolarHBondContact O-N 2.98Å; N40-L43 HydrophobicContact CB-CD1 4.08Å; N40-L43 HydrophobicContact CB-CG 4.3Å; N40-L43 PolarHBondContact O-N 3.3Å
41	P	56.8	Low	54.4	Low	112 Å²	112	118.3 Å²	118.3	73%	0.727	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	-2.3	-179.8	25.4	-31.3	0	0	0	114.1	N39	N39-P41 WeakPolarHBondContact O-CD 3.41Å
42	F	47.3	Very low	56	Low	180 Å²	180	116.6 Å²	116.6	79%	0.789	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.2	2.6	-176.7	-61.4	-76.2	0	0	0	114.9	N40	N40-F42 PolarHBondContact O-N 2.98Å
43	L	46.2	Very low	58.2	Low	93 Å²	93	111.3 Å²	111.3	49%	0.487	61%	0.606	S	S	.	*	S	Bend	trans	-91.3	139.5	168.1	-75	169.8	0	0	0	109.5	N40 Q45	N40-L43 HydrophobicContact CB-CD1 4.08Å; N40-L43 HydrophobicContact CB-CG 4.3Å; N40-L43 PolarHBondContact O-N 3.3Å; L43-Q45 PolarHBondContact O-N 3.47Å
44	P	42.5	Very low	60.4	Low	100 Å²	100	112.5 Å²	112.5	65%	0.649	61%	0.606	S	S	*	*			trans	-59	130.9	174.5	23.4	-29.9	0	0	0	109.1	A46	P44-A46 HydrophobicContact CB-CB 4.48Å; P44-A46 PolarHBondContact O-N 3.5Å
45	Q	47.5	Very low	63	Low	181 Å²	181	109.1 Å²	109.1	85%	0.846	59%	0.59	S	S	*	*	S	Bend	trans	-57	6.5	178.1	-77.2	172.9	-37.7	0	0	115	L43 S47 R48	L43-Q45 PolarHBondContact O-N 3.47Å; Q45-S47 PolarHBondContact O-N 3.18Å; Q45-R48 PolarHBondContact O-N 3.01Å
46	A	41.6	Very low	65.2	Low	97 Å²	97	105.5 Å²	105.5	80%	0.802	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	3.1	-178.7	0	0	0	0	0	115	P44	P44-A46 HydrophobicContact CB-CB 4.48Å; P44-A46 PolarHBondContact O-N 3.5Å
47	S	54.1	Low	67.3	Low	97 Å²	97	103 Å²	103	68%	0.678	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.6	10.4	178.5	53.3	0	0	0	0	113.8	Q45 L49	Q45-S47 PolarHBondContact O-N 3.18Å; S47-L49 PolarHBondContact O-N 3.49Å
48	R	65.1	Low	69.5	Low	191 Å²	191	104.5 Å²	104.5	72%	0.721	57%	0.57	S	S	*	*	S	Bend	trans	-82.3	112.4	169.4	-167.4	171.9	-176.4	169.2	0.2	108.4	Q45 Q50	Q45-R48 PolarHBondContact O-N 3.01Å; R48-Q50 PolarHBondContact O-N 2.71Å; R48-Q50 PolarHBondContact O-NE2 3.16Å
49	L	82.9	Confident	71.6	Confident	46 Å²	46	100.1 Å²	100.1	24%	0.241	54%	0.544	C	S	.	.	P	Polyproline II helix	trans	-46.3	123.8	173.5	-67.2	175.7	0	0	0	109.6	S47 T90 H92 S102 V104	S47-L49 PolarHBondContact O-N 3.49Å; L49-T90 HydrophobicContact CD1-CG2 3.81Å; L49-H92 WeakPolarHBondContact CD1-CE1 3.33Å; L49-S102 WeakPolarHBondContact CD2-O 3.46Å; L49-V104 HydrophobicContact CB-CG2 4.06Å; L49-V104 HydrophobicContact CD1-CG2 4.41Å
50	Q	84.9	Confident	74	Confident	147 Å²	147	93.1 Å²	93.1	69%	0.687	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-94.4	121.5	177.9	-62.4	-60.7	-50	0	0	108.3	R48	R48-Q50 PolarHBondContact O-N 2.71Å; R48-Q50 PolarHBondContact O-NE2 3.16Å
51	A	89.6	Confident	76.1	Confident	43 Å²	43	89.1 Å²	89.1	36%	0.355	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-67.9	143.7	172	0	0	0	0	0	109.7	R53 I107	A51-R53 WeakPolarHBondContact CB-O 3.4Å; A51-R53 PolarHBondContact O-N 3.04Å; A51-I107 HydrophobicContact CB-CD1 3.74Å; A51-I107 HydrophobicContact CB-CG1 4.09Å
52	K	90.6	Very high	77.9	Confident	112 Å²	112	87.5 Å²	87.5	49%	0.487	48%	0.484	S	S	.	.	S	Bend	trans	-64.4	-28	177.2	-70.4	178.8	177.4	170.2	0	113.1	G126 S133	K52-G126 VanDerWaalsContact CE-O 3.26Å; K52-G126 WeakPolarHBondContact CE-O 3.47Å; K52-G126 PolarHBondContact NZ-O 3.49Å; K52-S133 PolarHBondContact NZ-OG 3.37Å
53	R	93.9	Very high	80.2	Confident	57 Å²	57	81.9 Å²	81.9	22%	0.215	46%	0.461	C	S	.	.	S	Bend	trans	-146.4	166.5	177.6	68	168.9	-179.2	88	6.1	111	A51 I107 W108 H109 D125	A51-R53 WeakPolarHBondContact CB-O 3.4Å; A51-R53 PolarHBondContact O-N 3.04Å; R53-I107 HydrophobicContact CG-CD1 3.88Å; R53-W108 PolarHBondContact NH1-O 3.29Å; R53-W108 PolarHBondContact NH2-O 2.92Å; R53-H109 PolarHBondContact NH2-CD2 3.23Å; R53-D125 IonicContact CZ-OD2 2.62Å; R53-D125 IonicContact NE-OD2 2.67Å; R53-D125 PolarHBondContact NE-OD2 3.36Å; R53-D125 IonicContact NH2-OD2 3.19Å; R53-D125 PolarHBondContact NH2-OD2 3.27Å; R53-D125 VanDerWaalsContact NH2-OD2 3.14Å
54	D	94.1	Very high	82.6	Confident	140 Å²	140	77.6 Å²	77.6	75%	0.749	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-69.5	147.5	168.8	-68.6	-50.5	0	0	0	111.5
55	P	95.5	Very high	85	Confident	39 Å²	39	76.1 Å²	76.1	25%	0.253	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-62.9	152.4	172.8	30	-36.9	0	0	0	111.2	I107 W108	P55-I107 HydrophobicContact CB-CG2 4.01Å; P55-W108 HydrophobicContact CB-CB 3.94Å
56	S	95.3	Very high	87.3	Confident	18 Å²	18	75.1 Å²	75.1	13%	0.126	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-58.2	155.1	172.7	-62.2	0	0	0	0	111.2	V58 W108 H109	S56-V58 PolarHBondContact O-N 2.86Å; S56-W108 PolarHBondContact N-O 3.34Å; S56-W108 PolarHBondContact OG-O 3.06Å; S56-H109 VanDerWaalsContact CB-O 3.25Å; S56-H109 WeakPolarHBondContact CB-O 3.46Å; S56-H109 WeakPolarHBondContact OG-CA 3.43Å; S56-H109 PolarHBondContact OG-O 3.37Å
57	P	94.6	Very high	89.8	Confident	115 Å²	115	70.7 Å²	70.7	75%	0.747	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-51.3	141.5	173	-26.7	35.4	0	0	0	111.5	S59 W108	P57-S59 PolarHBondContact O-N 3.04Å; P57-W108 PolarHBondContact O-NE1 3.04Å
58	V	93.7	Very high	91.8	Very high	73 Å²	73	68.8 Å²	68.8	44%	0.442	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-70	119.1	-179.4	-169.6	0	0	0	0	108.8	S56 L65 F86	S56-V58 PolarHBondContact O-N 2.86Å; V58-L65 HydrophobicContact CB-CD2 4.43Å; V58-L65 HydrophobicContact CG1-CD2 3.27Å; V58-F86 HydrophobicContact CG1-CB 3.98Å; V58-F86 HydrophobicContact CG1-CD1 3.7Å; V58-F86 HydrophobicContact CG1-CD2 4.03Å; V58-F86 HydrophobicContact CG1-CE1 4.12Å; V58-F86 HydrophobicContact CG1-CE2 4.44Å; V58-F86 HydrophobicContact CG1-CG 3.63Å; V58-F86 HydrophobicContact CG1-CZ 4.47Å; V58-F86 HydrophobicContact CG2-CB 4.04Å
59	S	93.7	Very high	93.1	Very high	17 Å²	17	63.3 Å²	63.3	12%	0.119	37%	0.366	C	S	.	.			trans	-140.4	169	-178.3	69.6	0	0	0	0	110.8	P57 F86 W111 G217	P57-S59 PolarHBondContact O-N 3.04Å; S59-F86 WeakPolarHBondContact O-CE1 3.02Å; S59-W111 PolarHBondContact O-NE1 3.28Å; S59-G217 WeakPolarHBondContact CB-O 3.39Å; S59-G217 PolarHBondContact OG-O 2.99Å
60	G	93.9	Very high	93.7	Very high	14 Å²	14	66 Å²	66	14%	0.144	38%	0.375	C	S	.	.	S	Bend	trans	106.9	-155.4	175.6	0	0	0	0	0	113.5	A62	G60-A62 PolarHBondContact O-N 3.19Å
61	P	95.2	Very high	94.3	Very high	0 Å²	0	62 Å²	62	0%	0	36%	0.363	C	S	.	.			trans	-62.5	124.6	-173.6	-19	28.2	0	0	0	113.1	H63 L64 F118 T179	P61-H63 WeakPolarHBondContact CB-CE1 3.41Å; P61-H63 PolarHBondContact O-N 2.98Å; P61-H63 VanDerWaalsContact O-N 3.1Å; P61-L64 HydrophobicContact CB-CD1 4.23Å; P61-L64 HydrophobicContact CB-CG 4.27Å; P61-L64 HydrophobicContact CG-CD1 3.99Å; P61-L64 PolarHBondContact O-N 3.23Å; P61-F118 HydrophobicContact CG-CD2 3.64Å; P61-F118 HydrophobicContact CG-CE2 3.65Å; P61-F118 HydrophobicContact CG-CG 4.33Å; P61-F118 HydrophobicContact CG-CZ 4.35Å; P61-T179 HydrophobicContact CB-CG2 3.9Å; P61-T179 HydrophobicContact CG-CG2 4.07Å
62	A	94.3	Very high	94.6	Very high	77 Å²	77	61.5 Å²	61.5	64%	0.636	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-34.3	-174.6	0	0	0	0	0	113.8	G60 L64 L65	G60-A62 PolarHBondContact O-N 3.19Å; A62-L64 VanDerWaalsContact C-N 3.28Å; A62-L64 PolarHBondContact O-N 3.49Å; A62-L65 HydrophobicContact CB-CD1 4.39Å; A62-L65 WeakPolarHBondContact O-CB 3.48Å; A62-L65 PolarHBondContact O-N 2.95Å
63	H	94.8	Very high	94.9	Very high	63 Å²	63	59.2 Å²	59.2	29%	0.292	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-23.4	179.1	60.9	-91.3	0	0	0	113.2	P61 R66 A173	P61-H63 WeakPolarHBondContact CB-CE1 3.41Å; P61-H63 PolarHBondContact O-N 2.98Å; P61-H63 VanDerWaalsContact O-N 3.1Å; H63-R66 WeakPolarHBondContact O-CD 3.45Å; H63-R66 WeakPolarHBondContact O-CG 3.3Å; H63-A173 PolarHBondContact CE1-O 2.87Å
64	L	95.9	Very high	95	Very high	3 Å²	3	58.5 Å²	58.5	2%	0.016	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-25	175.4	-64.5	179.6	0	0	0	112.4	P61 A62 R66 L67 F86 W111 L140 L167 V168 L174	P61-L64 HydrophobicContact CB-CD1 4.23Å; P61-L64 HydrophobicContact CB-CG 4.27Å; P61-L64 HydrophobicContact CG-CD1 3.99Å; P61-L64 PolarHBondContact O-N 3.23Å; A62-L64 VanDerWaalsContact C-N 3.28Å; A62-L64 PolarHBondContact O-N 3.49Å; L64-R66 PolarHBondContact O-N 3.09Å; L64-L67 HydrophobicContact CD2-CD1 4.11Å; L64-L67 VanDerWaalsContact O-CB 3.26Å; L64-L67 WeakPolarHBondContact O-CB 3.41Å; L64-L67 WeakPolarHBondContact O-CG 3.3Å; L64-L67 PolarHBondContact O-N 3.43Å; L64-F86 HydrophobicContact CB-CE2 4.42Å; L64-F86 HydrophobicContact CB-CZ 4.11Å; L64-F86 WeakPolarHBondContact O-CE2 3.5Å; L64-W111 HydrophobicContact CD1-CH2 3.66Å; L64-W111 HydrophobicContact CD1-CZ2 4.41Å; L64-W111 HydrophobicContact CD1-CZ3 4.45Å; L64-L140 HydrophobicContact CD1-CD1 3.73Å; L64-L167 HydrophobicContact CD2-CB 3.98Å; L64-L167 HydrophobicContact CD2-CD1 4.3Å; L64-V168 HydrophobicContact CD2-CG1 3.89Å; L64-L174 HydrophobicContact CD1-CD2 4.39Å
65	L	94.8	Very high	95.1	Very high	69 Å²	69	56 Å²	56	36%	0.361	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-54.7	-27.6	179	-58.9	176.9	0	0	0	112.8	V58 A62 L67 S68 F86	V58-L65 HydrophobicContact CB-CD2 4.43Å; V58-L65 HydrophobicContact CG1-CD2 3.27Å; A62-L65 HydrophobicContact CB-CD1 4.39Å; A62-L65 WeakPolarHBondContact O-CB 3.48Å; A62-L65 PolarHBondContact O-N 2.95Å; L65-L67 PolarHBondContact O-N 2.96Å; L65-L67 VanDerWaalsContact O-N 3.14Å; L65-S68 WeakPolarHBondContact O-CB 3.18Å; L65-S68 PolarHBondContact O-N 3.28Å; L65-F86 HydrophobicContact CD2-CZ 4.41Å
66	R	94.4	Very high	94.9	Very high	160 Å²	160	57.4 Å²	57.4	60%	0.604	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-65.9	-11.4	176.3	78.8	-169.1	-57.7	-167.3	2.5	115.1	H63 L64 K70 L167	H63-R66 WeakPolarHBondContact O-CD 3.45Å; H63-R66 WeakPolarHBondContact O-CG 3.3Å; L64-R66 PolarHBondContact O-N 3.09Å; R66-K70 PolarHBondContact O-NZ 3.01Å; R66-L167 HydrophobicContact CG-CD1 3.9Å
67	L	95.3	Very high	94.6	Very high	4 Å²	4	61.7 Å²	61.7	2%	0.021	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-87.5	-15.9	173.1	-58.8	175	0	0	0	111.7	L64 L65 G69 K70 F72 P85 F163 L167	L64-L67 HydrophobicContact CD2-CD1 4.11Å; L64-L67 VanDerWaalsContact O-CB 3.26Å; L64-L67 WeakPolarHBondContact O-CB 3.41Å; L64-L67 WeakPolarHBondContact O-CG 3.3Å; L64-L67 PolarHBondContact O-N 3.43Å; L65-L67 PolarHBondContact O-N 2.96Å; L65-L67 VanDerWaalsContact O-N 3.14Å; L67-G69 PolarHBondContact O-N 2.86Å; L67-K70 WeakPolarHBondContact O-CB 3.39Å; L67-K70 PolarHBondContact O-N 3.15Å; L67-K70 VanDerWaalsContact O-N 3.1Å; L67-F72 HydrophobicContact CD2-CE2 4.39Å; L67-F72 HydrophobicContact CD2-CZ 4.13Å; L67-P85 HydrophobicContact CB-CB 4.02Å; L67-P85 HydrophobicContact CB-CG 3.94Å; L67-F163 HydrophobicContact CD1-CE1 3.78Å; L67-F163 HydrophobicContact CD1-CZ 4.36Å; L67-L167 HydrophobicContact CD1-CD1 3.98Å; L67-L167 HydrophobicContact CD2-CD1 3.93Å; L67-L167 HydrophobicContact CG-CD1 3.85Å
68	S	95.1	Very high	94.5	Very high	57 Å²	57	59.4 Å²	59.4	40%	0.399	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	137	173.7	-172.9	0	0	0	0	110.4	L65 K70	L65-S68 WeakPolarHBondContact O-CB 3.18Å; L65-S68 PolarHBondContact O-N 3.28Å; S68-K70 VanDerWaalsContact C-N 3.25Å; S68-K70 PolarHBondContact O-N 3.21Å
69	G	92.4	Very high	94.5	Very high	76 Å²	76	59.2 Å²	59.2	78%	0.784	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	77	2	-175.7	0	0	0	0	0	115.2	L67	L67-G69 PolarHBondContact O-N 2.86Å
70	K	95.9	Very high	94.6	Very high	103 Å²	103	60.1 Å²	60.1	45%	0.448	35%	0.351	S	S	.	.			trans	-107.4	144.9	171.5	-60.1	177.6	-175.4	164.8	0	109.8	R66 L67 S68 F72 C84 P85	R66-K70 PolarHBondContact O-NZ 3.01Å; L67-K70 WeakPolarHBondContact O-CB 3.39Å; L67-K70 PolarHBondContact O-N 3.15Å; L67-K70 VanDerWaalsContact O-N 3.1Å; S68-K70 VanDerWaalsContact C-N 3.25Å; S68-K70 PolarHBondContact O-N 3.21Å; K70-F72 HydrophobicContact CB-CE2 4.05Å; K70-F72 HydrophobicContact CB-CZ 4.03Å; K70-C84 WeakPolarHBondContact O-CA 3.09Å; K70-P85 VanDerWaalsContact O-CD 3.24Å; K70-P85 WeakPolarHBondContact O-CD 3.47Å
71	C	96.6	Very high	94.8	Very high	63 Å²	63	60.6 Å²	60.6	43%	0.426	35%	0.349	S	S	.	.			trans	-123.8	139.9	179.1	-59.7	0	0	0	0	110.1	E82 F83 C84	C71-E82 HydrophobicContact CB-CG 3.88Å; C71-E82 WeakPolarHBondContact CB-OE1 3.42Å; C71-F83 WeakPolarHBondContact CA-O 3.43Å; C71-C84 HydrophobicContact CB-CB 4.19Å; C71-C84 WeakPolarHBondContact CB-SG 3.43Å; C71-C84 WeakPolarHBondContact SG-CB 3.4Å; C71-C84 CovalentContact SG-SG 2.04Å; C71-C84 PolarHBondContact SG-SG 3.32Å
72	F	97.4	Very high	94.9	Very high	32 Å²	32	63.3 Å²	63.3	14%	0.14	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	127.2	-176.8	-56	-85.7	0	0	0	108.5	L67 K70 E82 F83 P85 N146 L148 F163	L67-F72 HydrophobicContact CD2-CE2 4.39Å; L67-F72 HydrophobicContact CD2-CZ 4.13Å; K70-F72 HydrophobicContact CB-CE2 4.05Å; K70-F72 HydrophobicContact CB-CZ 4.03Å; F72-E82 WeakPolarHBondContact O-CA 3.44Å; F72-F83 PolarHBondContact N-O 3.24Å; F72-F83 PolarHBondContact O-N 3.14Å; F72-P85 HydrophobicContact CD2-CG 4.45Å; F72-P85 HydrophobicContact CE2-CG 4.23Å; F72-N146 HydrophobicContact CD1-CB 4.23Å; F72-N146 WeakPolarHBondContact CD1-O 3.45Å; F72-N146 HydrophobicContact CE1-CB 3.42Å; F72-N146 VanDerWaalsContact CE1-CB 3.42Å; F72-N146 WeakPolarHBondContact CE1-O 3.39Å; F72-N146 HydrophobicContact CZ-CB 3.67Å; F72-L148 HydrophobicContact CB-CB 4.5Å; F72-F163 HydrophobicContact CB-CE2 4Å; F72-F163 HydrophobicContact CD1-CE2 4.22Å; F72-F163 AromaticContact CD2-CE2 3.42Å; F72-F163 HydrophobicContact CD2-CE2 3.42Å; F72-F163 VanDerWaalsContact CD2-CE2 3.42Å; F72-F163 AromaticContact CD2-CZ 3.68Å; F72-F163 HydrophobicContact CD2-CZ 3.68Å; F72-F163 AromaticContact CE2-CE2 3.9Å; F72-F163 HydrophobicContact CE2-CE2 3.9Å; F72-F163 AromaticContact CE2-CZ 3.63Å; F72-F163 HydrophobicContact CE2-CZ 3.63Å; F72-F163 AromaticContact CG-CE2 3.6Å; F72-F163 HydrophobicContact CG-CE2 3.6Å; F72-F163 HydrophobicContact CG-CZ 4.15Å; F72-F163 HydrophobicContact CZ-CE2 4.47Å; F72-F163 HydrophobicContact CZ-CZ 4.07Å
73	S	96.1	Very high	95	Very high	64 Å²	64	59.7 Å²	59.7	45%	0.448	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	145.7	-177.8	64.5	0	0	0	0	112.5	K80 Y81	S73-K80 WeakPolarHBondContact OG-CE 3.22Å; S73-Y81 CarbonylContact C-O 3.3Å; S73-Y81 WeakPolarHBondContact CA-O 3.48Å; S73-Y81 WeakPolarHBondContact CB-O 3.31Å
74	L	96.5	Very high	95.2	Very high	41 Å²	41	57 Å²	57	22%	0.215	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	128.5	171.6	179.4	66.9	0	0	0	107.7	K80 Y81 L148 V151	L74-K80 WeakPolarHBondContact O-CA 3.46Å; L74-Y81 PolarHBondContact N-O 2.92Å; L74-Y81 PolarHBondContact O-N 3.47Å; L74-L148 HydrophobicContact CB-CB 4.07Å; L74-L148 HydrophobicContact CB-CD2 3.82Å; L74-L148 HydrophobicContact CB-CG 3.88Å; L74-L148 HydrophobicContact CD2-CG 4.33Å; L74-V151 HydrophobicContact CD2-CG2 4.11Å
75	V	95.3	Very high	95.2	Very high	89 Å²	89	57 Å²	57	54%	0.539	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	118.1	170.3	-177.6	0	0	0	0	107.5	Y79 K80	V75-Y79 WeakPolarHBondContact CA-O 3.49Å; V75-K80 HydrophobicContact CG2-CB 4.08Å; V75-K80 HydrophobicContact CG2-CD 4.45Å; V75-K80 HydrophobicContact CG2-CG 3.99Å
76	E	92.4	Very high	95.3	Very high	68 Å²	68	54 Å²	54	32%	0.318	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	117.9	177.8	-170.5	157.6	-156.9	0	0	108.5	T78 Y79 Y81 H150 V151	E76-T78 PolarHBondContact O-N 3.35Å; E76-Y79 PolarHBondContact N-O 3.31Å; E76-Y79 PolarHBondContact O-N 2.93Å; E76-Y79 VanDerWaalsContact O-N 3.13Å; E76-Y81 HydrophobicContact CB-CD2 4.48Å; E76-Y81 HydrophobicContact CB-CE2 4.26Å; E76-H150 IonicContact OE1-ND1 3.81Å; E76-V151 PolarHBondContact OE2-N 2.84Å
77	S	89.2	Confident	95.4	Very high	108 Å²	108	50.4 Å²	50.4	76%	0.755	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	-112.3	-171.7	57.8	0	0	0	0	113.1
78	T	91.9	Very high	95.5	Very high	67 Å²	67	51 Å²	51	41%	0.411	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	0.3	-178.7	53.4	0	0	0	0	113.9	E76 Q94 T95	E76-T78 PolarHBondContact O-N 3.35Å; T78-Q94 PolarHBondContact O-N 2.89Å; T78-T95 HydrophobicContact CG2-CG2 4.37Å
79	Y	94.1	Very high	95.6	Very high	69 Å²	69	48.3 Å²	48.3	27%	0.271	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	138.1	-174.3	-64.4	-78.3	0	0	0	111.2	V75 E76 Q91 E93	V75-Y79 WeakPolarHBondContact CA-O 3.49Å; E76-Y79 PolarHBondContact N-O 3.31Å; E76-Y79 PolarHBondContact O-N 2.93Å; E76-Y79 VanDerWaalsContact O-N 3.13Å; Y79-Q91 HydrophobicContact CD1-CG 3.76Å; Y79-Q91 HydrophobicContact CG-CG 4.22Å; Y79-E93 HydrophobicContact CD1-CB 3.88Å; Y79-E93 HydrophobicContact CD1-CG 4.21Å; Y79-E93 HydrophobicContact CE1-CB 3.69Å; Y79-E93 HydrophobicContact CE1-CG 3.79Å
80	K	95.8	Very high	95.8	Very high	35 Å²	35	45 Å²	45	15%	0.152	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	116	165.9	-178.3	179.7	178.3	-176.2	0	108.1	S73 L74 V75 H92 Q94	S73-K80 WeakPolarHBondContact OG-CE 3.22Å; L74-K80 WeakPolarHBondContact O-CA 3.46Å; V75-K80 HydrophobicContact CG2-CB 4.08Å; V75-K80 HydrophobicContact CG2-CD 4.45Å; V75-K80 HydrophobicContact CG2-CG 3.99Å; K80-H92 HydrophobicContact CB-CB 4.42Å; K80-H92 PolarHBondContact N-O 2.04Å; K80-H92 PolarHBondContact O-N 3.4Å; K80-Q94 HydrophobicContact CB-CG 3.86Å; K80-Q94 VanDerWaalsContact CB-NE2 3.32Å
81	Y	96.9	Very high	95.8	Very high	24 Å²	24	40.6 Å²	40.6	9%	0.094	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	139.6	171	-60	-84	0	0	0	108.9	S73 L74 E76 T90 Q91 L105 V151	S73-Y81 CarbonylContact C-O 3.3Å; S73-Y81 WeakPolarHBondContact CA-O 3.48Å; S73-Y81 WeakPolarHBondContact CB-O 3.31Å; L74-Y81 PolarHBondContact N-O 2.92Å; L74-Y81 PolarHBondContact O-N 3.47Å; E76-Y81 HydrophobicContact CB-CD2 4.48Å; E76-Y81 HydrophobicContact CB-CE2 4.26Å; Y81-T90 WeakPolarHBondContact CA-O 3.26Å; Y81-Q91 HydrophobicContact CD1-CB 4.13Å; Y81-Q91 HydrophobicContact CD1-CG 4.02Å; Y81-Q91 HydrophobicContact CE1-CB 4.14Å; Y81-Q91 HydrophobicContact CE1-CG 3.66Å; Y81-Q91 PolarHBondContact OH-NE2 3.48Å; Y81-Q91 VanDerWaalsContact OH-NE2 3.09Å; Y81-L105 HydrophobicContact CD1-CD1 3.78Å; Y81-L105 HydrophobicContact CE1-CD1 3.85Å; Y81-V151 HydrophobicContact CD1-CG1 3.83Å; Y81-V151 HydrophobicContact CD2-CB 4.06Å; Y81-V151 HydrophobicContact CD2-CG1 4.09Å; Y81-V151 HydrophobicContact CD2-CG2 4.03Å; Y81-V151 HydrophobicContact CE1-CG1 3.79Å; Y81-V151 HydrophobicContact CE2-CB 4.25Å; Y81-V151 HydrophobicContact CE2-CG1 4.08Å; Y81-V151 HydrophobicContact CG-CB 4.24Å; Y81-V151 HydrophobicContact CG-CG1 3.96Å; Y81-V151 HydrophobicContact CG-CG2 3.94Å
82	E	97.3	Very high	95.6	Very high	58 Å²	58	39.8 Å²	39.8	27%	0.271	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	125.9	174.3	177.9	171.1	-125.3	0	0	109.3	C71 F72 V89 T90	C71-E82 HydrophobicContact CB-CG 3.88Å; C71-E82 WeakPolarHBondContact CB-OE1 3.42Å; F72-E82 WeakPolarHBondContact O-CA 3.44Å; E82-V89 CarbonylContact O-C 3.55Å; E82-V89 WeakPolarHBondContact O-CA 3.47Å; E82-T90 PolarHBondContact N-O 3.38Å; E82-T90 PolarHBondContact O-N 3.08Å
83	F	97.9	Very high	95.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	120.8	177.6	169.3	-130.7	0	0	0	109.6	C71 F72 P85 V89 M121 M123 V138 L148 L161 F163	C71-F83 WeakPolarHBondContact CA-O 3.43Å; F72-F83 PolarHBondContact N-O 3.24Å; F72-F83 PolarHBondContact O-N 3.14Å; F83-P85 HydrophobicContact CD1-CG 4.2Å; F83-P85 HydrophobicContact CE1-CB 4.37Å; F83-P85 HydrophobicContact CE1-CG 3.6Å; F83-P85 HydrophobicContact CE2-CG 4.34Å; F83-P85 HydrophobicContact CZ-CB 3.97Å; F83-P85 HydrophobicContact CZ-CG 3.69Å; F83-V89 HydrophobicContact CD2-CG2 3.67Å; F83-V89 HydrophobicContact CE2-CG2 4.36Å; F83-V89 HydrophobicContact CG-CG2 4.48Å; F83-M121 HydrophobicContact CZ-SD 4.16Å; F83-M123 HydrophobicContact CE2-CE 4.33Å; F83-M123 HydrophobicContact CE2-SD 4.49Å; F83-V138 HydrophobicContact CD1-CG1 4.34Å; F83-V138 HydrophobicContact CD2-CG2 4.29Å; F83-V138 HydrophobicContact CE1-CG1 3.78Å; F83-V138 HydrophobicContact CE2-CG1 4.38Å; F83-V138 HydrophobicContact CE2-CG2 3.93Å; F83-V138 HydrophobicContact CZ-CB 4.32Å; F83-V138 HydrophobicContact CZ-CG1 3.8Å; F83-V138 HydrophobicContact CZ-CG2 4.17Å; F83-L148 HydrophobicContact CB-CD2 4.3Å; F83-L161 HydrophobicContact CB-CD2 4.48Å; F83-F163 HydrophobicContact CD1-CB 4.21Å; F83-F163 AromaticContact CD1-CD2 3.63Å; F83-F163 HydrophobicContact CD1-CD2 3.63Å; F83-F163 HydrophobicContact CD1-CE2 4.17Å; F83-F163 AromaticContact CD1-CG 3.95Å; F83-F163 HydrophobicContact CD1-CG 3.95Å; F83-F163 HydrophobicContact CE1-CB 3.92Å; F83-F163 HydrophobicContact CE1-CD1 4.13Å; F83-F163 AromaticContact CE1-CD2 3.82Å; F83-F163 HydrophobicContact CE1-CD2 3.82Å; F83-F163 HydrophobicContact CE1-CE2 4.37Å; F83-F163 AromaticContact CE1-CG 3.67Å; F83-F163 HydrophobicContact CE1-CG 3.67Å
84	C	97.3	Very high	95.1	Very high	6 Å²	6	41.1 Å²	41.1	4%	0.041	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	103.7	172.3	-52	0	0	0	0	108.1	K70 C71 F86 H87 N88	K70-C84 WeakPolarHBondContact O-CA 3.09Å; C71-C84 HydrophobicContact CB-CB 4.19Å; C71-C84 WeakPolarHBondContact CB-SG 3.43Å; C71-C84 WeakPolarHBondContact SG-CB 3.4Å; C71-C84 CovalentContact SG-SG 2.04Å; C71-C84 PolarHBondContact SG-SG 3.32Å; C84-F86 PolarHBondContact O-N 2.89Å; C84-H87 HydrophobicContact CB-CB 3.96Å; C84-H87 PolarHBondContact O-N 3.32Å; C84-N88 PolarHBondContact N-O 2.79Å; C84-N88 PolarHBondContact O-N 3.37Å
85	P	97.4	Very high	94.7	Very high	3 Å²	3	41 Å²	41	2%	0.019	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	135.7	179.8	-28.6	36.7	0	0	0	112.1	L67 K70 F72 F83 H87	L67-P85 HydrophobicContact CB-CB 4.02Å; L67-P85 HydrophobicContact CB-CG 3.94Å; K70-P85 VanDerWaalsContact O-CD 3.24Å; K70-P85 WeakPolarHBondContact O-CD 3.47Å; F72-P85 HydrophobicContact CD2-CG 4.45Å; F72-P85 HydrophobicContact CE2-CG 4.23Å; F83-P85 HydrophobicContact CD1-CG 4.2Å; F83-P85 HydrophobicContact CE1-CB 4.37Å; F83-P85 HydrophobicContact CE1-CG 3.6Å; F83-P85 HydrophobicContact CE2-CG 4.34Å; F83-P85 HydrophobicContact CZ-CB 3.97Å; F83-P85 HydrophobicContact CZ-CG 3.69Å; P85-H87 PolarHBondContact O-N 3.08Å
86	F	97	Very high	94	Very high	7 Å²	7	46.1 Å²	46.1	3%	0.031	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	11.1	-176.7	-46.2	-78.6	0	0	0	116.1	V58 S59 L64 L65 C84 W108 W111 M121	V58-F86 HydrophobicContact CG1-CB 3.98Å; V58-F86 HydrophobicContact CG1-CD1 3.7Å; V58-F86 HydrophobicContact CG1-CD2 4.03Å; V58-F86 HydrophobicContact CG1-CE1 4.12Å; V58-F86 HydrophobicContact CG1-CE2 4.44Å; V58-F86 HydrophobicContact CG1-CG 3.63Å; V58-F86 HydrophobicContact CG1-CZ 4.47Å; V58-F86 HydrophobicContact CG2-CB 4.04Å; S59-F86 WeakPolarHBondContact O-CE1 3.02Å; L64-F86 HydrophobicContact CB-CE2 4.42Å; L64-F86 HydrophobicContact CB-CZ 4.11Å; L64-F86 WeakPolarHBondContact O-CE2 3.5Å; L65-F86 HydrophobicContact CD2-CZ 4.41Å; C84-F86 PolarHBondContact O-N 2.89Å; F86-W108 VanDerWaalsContact C-CB 3.46Å; F86-W108 HydrophobicContact CB-CG 4.4Å; F86-W108 HydrophobicContact CD1-CD2 4.25Å; F86-W108 AromaticContact CD1-CE2 3.78Å; F86-W108 AromaticContact CD1-CZ2 3.95Å; F86-W108 HydrophobicContact CD1-CZ2 3.95Å; F86-W108 AromaticContact CD1-NE1 3.94Å; F86-W108 HydrophobicContact CE1-CZ2 4.2Å; F86-W111 HydrophobicContact CE1-CH2 4.36Å; F86-W111 AromaticContact CE1-CZ2 3.6Å; F86-W111 HydrophobicContact CE1-CZ2 3.6Å; F86-W111 HydrophobicContact CZ-CH2 4.42Å; F86-W111 AromaticContact CZ-CZ2 3.94Å; F86-W111 HydrophobicContact CZ-CZ2 3.94Å; F86-M121 HydrophobicContact CD1-CE 3.66Å; F86-M121 HydrophobicContact CE1-CE 3.65Å; F86-M121 HydrophobicContact CG-CE 4.17Å; F86-M121 HydrophobicContact CZ-CE 4.12Å
87	H	96.1	Very high	93.6	Very high	85 Å²	85	50.7 Å²	50.7	39%	0.394	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.8	-84.4	177.6	-164.3	50.2	0	0	0	111.3	C84 P85 W108	C84-H87 HydrophobicContact CB-CB 3.96Å; C84-H87 PolarHBondContact O-N 3.32Å; P85-H87 PolarHBondContact O-N 3.08Å; H87-W108 PolarHBondContact O-N 3.29Å
88	N	96.9	Very high	93.1	Very high	17 Å²	17	57.2 Å²	57.2	9%	0.091	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	169.6	-178	62.3	-4	0	0	0	112.2	C84 V104 G106	C84-N88 PolarHBondContact N-O 2.79Å; C84-N88 PolarHBondContact O-N 3.37Å; N88-V104 HydrophobicContact CB-CG1 4.37Å; N88-G106 CarbonylContact C-O 3.56Å; N88-G106 VanDerWaalsContact CA-O 3.28Å; N88-G106 WeakPolarHBondContact CA-O 3.22Å; N88-G106 WeakPolarHBondContact CB-O 3.39Å
89	V	97.5	Very high	92.6	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	130.6	168.2	179.9	0	0	0	0	107.6	E82 F83 L105 G106 M123 V138 L161	E82-V89 CarbonylContact O-C 3.55Å; E82-V89 WeakPolarHBondContact O-CA 3.47Å; F83-V89 HydrophobicContact CD2-CG2 3.67Å; F83-V89 HydrophobicContact CE2-CG2 4.36Å; F83-V89 HydrophobicContact CG-CG2 4.48Å; V89-L105 HydrophobicContact CB-CB 4.23Å; V89-L105 HydrophobicContact CG1-CB 3.93Å; V89-L105 HydrophobicContact CG1-CD1 4.06Å; V89-L105 HydrophobicContact CG1-CG 4.32Å; V89-L105 PolarHBondContact O-N 2.95Å; V89-G106 PolarHBondContact N-O 3.24Å; V89-M123 HydrophobicContact CG2-CB 4.36Å; V89-M123 HydrophobicContact CG2-CE 4.07Å; V89-M123 HydrophobicContact CG2-CG 3.89Å; V89-V138 HydrophobicContact CG2-CG2 4.33Å; V89-L161 HydrophobicContact CG1-CD2 3.68Å; V89-L161 HydrophobicContact CG2-CD2 4.2Å
90	T	96.3	Very high	92.3	Very high	7 Å²	7	57 Å²	57	4%	0.043	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	156.2	177.5	63.4	0	0	0	0	111.7	L49 Y81 E82 H92 G103 V104	L49-T90 HydrophobicContact CD1-CG2 3.81Å; Y81-T90 WeakPolarHBondContact CA-O 3.26Å; E82-T90 PolarHBondContact N-O 3.38Å; E82-T90 PolarHBondContact O-N 3.08Å; T90-H92 PolarHBondContact OG1-NE2 3.07Å; T90-G103 CarbonylContact C-O 3.28Å; T90-G103 WeakPolarHBondContact CA-O 3.37Å; T90-V104 HydrophobicContact CG2-CG2 4.42Å
91	Q	95.1	Very high	91.9	Very high	10 Å²	10	58.4 Å²	58.4	5%	0.047	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	132.8	174.1	-176.2	-176.7	34.1	0	0	108.9	Y79 Y81 S102 G103 L105	Y79-Q91 HydrophobicContact CD1-CG 3.76Å; Y79-Q91 HydrophobicContact CG-CG 4.22Å; Y81-Q91 HydrophobicContact CD1-CB 4.13Å; Y81-Q91 HydrophobicContact CD1-CG 4.02Å; Y81-Q91 HydrophobicContact CE1-CB 4.14Å; Y81-Q91 HydrophobicContact CE1-CG 3.66Å; Y81-Q91 PolarHBondContact OH-NE2 3.48Å; Y81-Q91 VanDerWaalsContact OH-NE2 3.09Å; Q91-S102 CarbonylContact O-C 3.36Å; Q91-S102 VanDerWaalsContact O-CA 3.26Å; Q91-S102 WeakPolarHBondContact O-CA 3.22Å; Q91-G103 PolarHBondContact N-O 3.48Å; Q91-G103 PolarHBondContact O-N 2.9Å; Q91-L105 HydrophobicContact CB-CD1 3.95Å; Q91-L105 HydrophobicContact CB-CD2 3.83Å; Q91-L105 HydrophobicContact CB-CG 3.89Å
92	H	93.4	Very high	91.7	Very high	45 Å²	45	59.8 Å²	59.8	21%	0.208	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	113.1	178.3	-63.7	-77.7	0	0	0	110.2	L49 K80 T90 Q94 S102	L49-H92 WeakPolarHBondContact CD1-CE1 3.33Å; K80-H92 HydrophobicContact CB-CB 4.42Å; K80-H92 PolarHBondContact N-O 2.04Å; K80-H92 PolarHBondContact O-N 3.4Å; T90-H92 PolarHBondContact OG1-NE2 3.07Å; H92-Q94 PolarHBondContact O-N 3.34Å; H92-Q94 PolarHBondContact O-NE2 2.85Å; H92-S102 WeakPolarHBondContact ND1-CB 3.43Å; H92-S102 PolarHBondContact ND1-OG 2.88Å
93	E	92.9	Very high	91.5	Very high	29 Å²	29	57 Å²	57	14%	0.136	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	128.2	170.7	-167.6	-178	165	0	0	109.9	Y79 T95 A100 Y101	Y79-E93 HydrophobicContact CD1-CB 3.88Å; Y79-E93 HydrophobicContact CD1-CG 4.21Å; Y79-E93 HydrophobicContact CE1-CB 3.69Å; Y79-E93 HydrophobicContact CE1-CG 3.79Å; E93-T95 VanDerWaalsContact CD-OG1 3.25Å; E93-T95 HydrophobicContact CG-CG2 3.99Å; E93-T95 WeakPolarHBondContact OE1-CG2 3.33Å; E93-T95 PolarHBondContact OE1-OG1 2.99Å; E93-A100 HydrophobicContact CB-CB 4.17Å; E93-Y101 VanDerWaalsContact CB-O 3.28Å; E93-Y101 WeakPolarHBondContact CB-O 3.29Å; E93-Y101 PolarHBondContact N-O 3.29Å; E93-Y101 PolarHBondContact OE2-N 3.23Å
94	Q	90.8	Very high	91.5	Very high	96 Å²	96	57 Å²	57	45%	0.449	26%	0.263	S	S	.	.			trans	-91.7	5	-176.5	-63	-59.4	-69.5	0	0	113.1	T78 K80 H92	T78-Q94 PolarHBondContact O-N 2.89Å; K80-Q94 HydrophobicContact CB-CG 3.86Å; K80-Q94 VanDerWaalsContact CB-NE2 3.32Å; H92-Q94 PolarHBondContact O-N 3.34Å; H92-Q94 PolarHBondContact O-NE2 2.85Å
95	T	86.4	Confident	91.4	Very high	39 Å²	39	56.8 Å²	56.8	24%	0.239	26%	0.261	C	S	.	.	S	Bend	trans	-72.1	145.2	179.9	65.5	0	0	0	0	110.5	T78 E93 R97	T78-T95 HydrophobicContact CG2-CG2 4.37Å; E93-T95 VanDerWaalsContact CD-OG1 3.25Å; E93-T95 HydrophobicContact CG-CG2 3.99Å; E93-T95 WeakPolarHBondContact OE1-CG2 3.33Å; E93-T95 PolarHBondContact OE1-OG1 2.99Å; T95-R97 PolarHBondContact O-N 2.78Å
96	F	82.2	Confident	91.4	Very high	195 Å²	195	56.6 Å²	56.6	86%	0.855	26%	0.26	S	S	*	.			trans	-77.7	49.5	176.5	-166	-102	0	0	0	111.6
97	R	83.4	Confident	91.4	Very high	164 Å²	164	56.4 Å²	56.4	62%	0.619	26%	0.259	S	S	*	.			trans	-99.1	140	175.9	-66.6	-179.8	178	-176.1	-0.3	108.6	T95 N99 A100	T95-R97 PolarHBondContact O-N 2.78Å; R97-N99 PolarHBondContact O-N 2.96Å; R97-N99 VanDerWaalsContact O-N 3.15Å; R97-A100 PolarHBondContact O-N 2.74Å
98	W	78.8	Confident	91.5	Very high	245 Å²	245	52.4 Å²	52.4	93%	0.928	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-20.1	176.4	68.7	-91.8	0	0	0	112.6
99	N	81.9	Confident	91.5	Very high	98 Å²	98	52.8 Å²	52.8	52%	0.524	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.7	33.1	178.8	67.8	-27.3	0	0	0	113.1	R97 Y101	R97-N99 PolarHBondContact O-N 2.96Å; R97-N99 VanDerWaalsContact O-N 3.15Å; N99-Y101 PolarHBondContact O-N 2.93Å
100	A	86.4	Confident	91.5	Very high	33 Å²	33	54.3 Å²	54.3	27%	0.273	25%	0.249	S	C	.	.			trans	-54.1	132.8	175.2	0	0	0	0	0	110.9	E93 R97 S102	E93-A100 HydrophobicContact CB-CB 4.17Å; R97-A100 PolarHBondContact O-N 2.74Å; A100-S102 PolarHBondContact O-N 3.5Å
101	Y	88.6	Confident	91.5	Very high	66 Å²	66	54 Å²	54	26%	0.259	25%	0.247	S	C	.	.			trans	-67.7	133	-178.7	177.6	-107	0	0	0	110.9	E93 N99 R134	E93-Y101 VanDerWaalsContact CB-O 3.28Å; E93-Y101 WeakPolarHBondContact CB-O 3.29Å; E93-Y101 PolarHBondContact N-O 3.29Å; E93-Y101 PolarHBondContact OE2-N 3.23Å; N99-Y101 PolarHBondContact O-N 2.93Å; Y101-R134 PolarHBondContact OH-NH1 3.17Å; Y101-R134 VanDerWaalsContact OH-NH1 3.1Å; Y101-R134 PolarHBondContact OH-NH2 3.47Å
102	S	91.8	Very high	91.6	Very high	52 Å²	52	55.8 Å²	55.8	36%	0.364	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	133.2	166.8	-72.1	0	0	0	0	108.5	L49 Q91 H92 A100	L49-S102 WeakPolarHBondContact CD2-O 3.46Å; Q91-S102 CarbonylContact O-C 3.36Å; Q91-S102 VanDerWaalsContact O-CA 3.26Å; Q91-S102 WeakPolarHBondContact O-CA 3.22Å; H92-S102 WeakPolarHBondContact ND1-CB 3.43Å; H92-S102 PolarHBondContact ND1-OG 2.88Å; A100-S102 PolarHBondContact O-N 3.5Å
103	G	93.8	Very high	91.7	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	164.9	-176.2	0	0	0	0	0	115.4	T90 Q91 D127	T90-G103 CarbonylContact C-O 3.28Å; T90-G103 WeakPolarHBondContact CA-O 3.37Å; Q91-G103 PolarHBondContact N-O 3.48Å; Q91-G103 PolarHBondContact O-N 2.9Å; G103-D127 WeakPolarHBondContact CA-OD2 3.25Å
104	V	96.8	Very high	91.8	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.006	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	122.6	177.3	-175.5	0	0	0	0	109.1	L49 N88 T90 I107 G126 D127	L49-V104 HydrophobicContact CB-CG2 4.06Å; L49-V104 HydrophobicContact CD1-CG2 4.41Å; N88-V104 HydrophobicContact CB-CG1 4.37Å; T90-V104 HydrophobicContact CG2-CG2 4.42Å; V104-I107 HydrophobicContact CG1-CG1 4.02Å; V104-G126 CarbonylContact O-C 3.53Å; V104-G126 WeakPolarHBondContact O-CA 3.3Å; V104-D127 PolarHBondContact N-OD2 3.34Å; V104-D127 PolarHBondContact O-N 2.97Å
105	L	96.8	Very high	91.9	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-15.3	177.8	-55.8	-170.6	0	0	0	113	Y81 V89 Q91 R134 Q135 S136 Y159	Y81-L105 HydrophobicContact CD1-CD1 3.78Å; Y81-L105 HydrophobicContact CE1-CD1 3.85Å; V89-L105 HydrophobicContact CB-CB 4.23Å; V89-L105 HydrophobicContact CG1-CB 3.93Å; V89-L105 HydrophobicContact CG1-CD1 4.06Å; V89-L105 HydrophobicContact CG1-CG 4.32Å; V89-L105 PolarHBondContact O-N 2.95Å; Q91-L105 HydrophobicContact CB-CD1 3.95Å; Q91-L105 HydrophobicContact CB-CD2 3.83Å; Q91-L105 HydrophobicContact CB-CG 3.89Å; L105-R134 CarbonylContact O-C 3.4Å; L105-R134 VanDerWaalsContact O-C 3.3Å; L105-Q135 CarbonylContact O-C 3.58Å; L105-Q135 VanDerWaalsContact O-CA 3.32Å; L105-Q135 WeakPolarHBondContact O-CA 3.33Å; L105-Q135 PolarHBondContact O-N 2.61Å; L105-S136 VanDerWaalsContact CB-OG 3.31Å; L105-S136 WeakPolarHBondContact CB-OG 3.48Å; L105-S136 PolarHBondContact O-OG 2.89Å; L105-Y159 HydrophobicContact CB-CD2 4.11Å; L105-Y159 HydrophobicContact CB-CE2 4.43Å; L105-Y159 HydrophobicContact CD1-CD1 4.01Å; L105-Y159 HydrophobicContact CD1-CD2 4.11Å; L105-Y159 HydrophobicContact CD1-CE1 4.25Å; L105-Y159 HydrophobicContact CD1-CE2 4.35Å; L105-Y159 HydrophobicContact CD1-CG 3.95Å; L105-Y159 HydrophobicContact CD2-CD2 4.16Å; L105-Y159 HydrophobicContact CD2-CE1 4.42Å; L105-Y159 HydrophobicContact CD2-CE2 3.69Å; L105-Y159 HydrophobicContact CG-CD2 4.37Å; L105-Y159 HydrophobicContact CG-CE2 4.38Å
106	G	97.1	Very high	92.2	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.7	157.7	174.6	0	0	0	0	0	112	N88 V89	N88-G106 CarbonylContact C-O 3.56Å; N88-G106 VanDerWaalsContact CA-O 3.28Å; N88-G106 WeakPolarHBondContact CA-O 3.22Å; N88-G106 WeakPolarHBondContact CB-O 3.39Å; V89-G106 PolarHBondContact N-O 3.24Å
107	I	97.4	Very high	92.9	Very high	2 Å²	2	53 Å²	53	1%	0.01	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	140.4	179.2	-56.1	162.2	0	0	0	107.2	A51 R53 P55 V104 H109 M123 R124 D125	A51-I107 HydrophobicContact CB-CD1 3.74Å; A51-I107 HydrophobicContact CB-CG1 4.09Å; R53-I107 HydrophobicContact CG-CD1 3.88Å; P55-I107 HydrophobicContact CB-CG2 4.01Å; V104-I107 HydrophobicContact CG1-CG1 4.02Å; I107-H109 PolarHBondContact O-N 3.49Å; I107-H109 VanDerWaalsContact O-N 3.15Å; I107-M123 CarbonylContact O-C 3.56Å; I107-M123 WeakPolarHBondContact O-CA 3.31Å; I107-R124 WeakPolarHBondContact CB-O 3.48Å; I107-R124 PolarHBondContact N-O 2.7Å; I107-R124 PolarHBondContact O-N 3.44Å; I107-D125 HydrophobicContact CD1-CB 4.41Å; I107-D125 VanDerWaalsContact CD1-O 3.29Å; I107-D125 WeakPolarHBondContact CD1-O 3.37Å
108	W	97.6	Very high	93.5	Very high	1 Å²	1	45.3 Å²	45.3	0%	0.004	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.2	122.8	179.8	170.5	-121.6	0	0	0	111.2	R53 P55 S56 P57 F86 H87 E110 W111 M121 M123	R53-W108 PolarHBondContact NH1-O 3.29Å; R53-W108 PolarHBondContact NH2-O 2.92Å; P55-W108 HydrophobicContact CB-CB 3.94Å; S56-W108 PolarHBondContact N-O 3.34Å; S56-W108 PolarHBondContact OG-O 3.06Å; P57-W108 PolarHBondContact O-NE1 3.04Å; F86-W108 VanDerWaalsContact C-CB 3.46Å; F86-W108 HydrophobicContact CB-CG 4.4Å; F86-W108 HydrophobicContact CD1-CD2 4.25Å; F86-W108 AromaticContact CD1-CE2 3.78Å; F86-W108 AromaticContact CD1-CZ2 3.95Å; F86-W108 HydrophobicContact CD1-CZ2 3.95Å; F86-W108 AromaticContact CD1-NE1 3.94Å; F86-W108 HydrophobicContact CE1-CZ2 4.2Å; H87-W108 PolarHBondContact O-N 3.29Å; W108-E110 VanDerWaalsContact CZ3-O 3.22Å; W108-E110 WeakPolarHBondContact CZ3-O 3.48Å; W108-W111 AromaticContact CH2-CD1 3.63Å; W108-W111 AromaticContact CH2-CD2 3.74Å; W108-W111 HydrophobicContact CH2-CD2 3.74Å; W108-W111 AromaticContact CH2-CE2 3.61Å; W108-W111 HydrophobicContact CH2-CE3 4.44Å; W108-W111 AromaticContact CH2-CG 3.78Å; W108-W111 HydrophobicContact CH2-CG 3.78Å; W108-W111 HydrophobicContact CH2-CZ2 4.22Å; W108-W111 AromaticContact CH2-NE1 3.53Å; W108-W111 AromaticContact CZ2-CD1 3.87Å; W108-W111 HydrophobicContact CZ2-CG 4.46Å; W108-W111 AromaticContact CZ2-NE1 3.61Å; W108-M121 HydrophobicContact CD2-CE 4.13Å; W108-M121 HydrophobicContact CE3-CB 4.15Å; W108-M121 HydrophobicContact CE3-CE 3.52Å; W108-M121 HydrophobicContact CH2-CE 3.8Å; W108-M121 HydrophobicContact CH2-CG 4.33Å; W108-M121 HydrophobicContact CZ2-CE 4.36Å; W108-M121 HydrophobicContact CZ3-CB 3.54Å; W108-M121 HydrophobicContact CZ3-CE 3.36Å; W108-M121 HydrophobicContact CZ3-CG 3.76Å; W108-M121 HydrophobicContact CZ3-SD 4.44Å; W108-M123 HydrophobicContact CB-CE 3.97Å; W108-M123 HydrophobicContact CB-SD 4.2Å; W108-M123 HydrophobicContact CE3-SD 3.89Å
109	H	96.4	Very high	94.3	Very high	25 Å²	25	35.9 Å²	35.9	12%	0.116	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	-64.1	-173.9	-170.8	-75.3	0	0	0	111.4	R53 S56 I107 W122 R124 D125 K220	R53-H109 PolarHBondContact NH2-CD2 3.23Å; S56-H109 VanDerWaalsContact CB-O 3.25Å; S56-H109 WeakPolarHBondContact CB-O 3.46Å; S56-H109 WeakPolarHBondContact OG-CA 3.43Å; S56-H109 PolarHBondContact OG-O 3.37Å; I107-H109 PolarHBondContact O-N 3.49Å; I107-H109 VanDerWaalsContact O-N 3.15Å; H109-W122 WeakPolarHBondContact CB-O 3.32Å; H109-W122 PolarHBondContact N-O 3.44Å; H109-R124 HydrophobicContact CB-CB 4.05Å; H109-R124 HydrophobicContact CB-CG 3.98Å; H109-D125 IonicContact CD2-OD2 2.97Å; H109-K220 VanDerWaalsContact CE1-CB 3.45Å; H109-K220 WeakPolarHBondContact CE1-CB 3.29Å; H109-K220 WeakPolarHBondContact CE1-CD 3.41Å; H109-K220 WeakPolarHBondContact NE2-CD 3.29Å
110	E	96.9	Very high	94.9	Very high	33 Å²	33	31.2 Å²	31.2	15%	0.154	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	164.7	-173.5	65	-166.7	173.4	0	0	111.6	W108 W122 R124 Y218 K220	W108-E110 VanDerWaalsContact CZ3-O 3.22Å; W108-E110 WeakPolarHBondContact CZ3-O 3.48Å; E110-W122 HydrophobicContact CG-CB 3.89Å; E110-W122 HydrophobicContact CG-CG 4.43Å; E110-W122 PolarHBondContact N-O 3.2Å; E110-W122 PolarHBondContact O-N 3.46Å; E110-R124 IonicContact OE1-CZ 3.64Å; E110-R124 IonicContact OE1-NE 3.75Å; E110-R124 PolarHBondContact OE1-NE 2.79Å; E110-R124 IonicContact OE1-NH2 3.77Å; E110-R124 PolarHBondContact OE1-NH2 2.96Å; E110-R124 VanDerWaalsContact OE1-NH2 3.08Å; E110-Y218 WeakPolarHBondContact CB-O 3.26Å; E110-K220 PolarHBondContact OE2-N 2.82Å
111	W	97.5	Very high	95.5	Very high	1 Å²	1	29.9 Å²	29.9	0%	0.004	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	148.7	169	-73.5	100.2	0	0	0	111.2	S59 L64 F86 W108 I113 F118 M121 L140 Y218 F219	S59-W111 PolarHBondContact O-NE1 3.28Å; L64-W111 HydrophobicContact CD1-CH2 3.66Å; L64-W111 HydrophobicContact CD1-CZ2 4.41Å; L64-W111 HydrophobicContact CD1-CZ3 4.45Å; F86-W111 HydrophobicContact CE1-CH2 4.36Å; F86-W111 AromaticContact CE1-CZ2 3.6Å; F86-W111 HydrophobicContact CE1-CZ2 3.6Å; F86-W111 HydrophobicContact CZ-CH2 4.42Å; F86-W111 AromaticContact CZ-CZ2 3.94Å; F86-W111 HydrophobicContact CZ-CZ2 3.94Å; W108-W111 AromaticContact CH2-CD1 3.63Å; W108-W111 AromaticContact CH2-CD2 3.74Å; W108-W111 HydrophobicContact CH2-CD2 3.74Å; W108-W111 AromaticContact CH2-CE2 3.61Å; W108-W111 HydrophobicContact CH2-CE3 4.44Å; W108-W111 AromaticContact CH2-CG 3.78Å; W108-W111 HydrophobicContact CH2-CG 3.78Å; W108-W111 HydrophobicContact CH2-CZ2 4.22Å; W108-W111 AromaticContact CH2-NE1 3.53Å; W108-W111 AromaticContact CZ2-CD1 3.87Å; W108-W111 HydrophobicContact CZ2-CG 4.46Å; W108-W111 AromaticContact CZ2-NE1 3.61Å; W111-I113 HydrophobicContact CB-CG1 4.34Å; W111-F118 HydrophobicContact CB-CD1 3.84Å; W111-F118 HydrophobicContact CB-CE1 4.05Å; W111-F118 AromaticContact CD2-CD1 3.59Å; W111-F118 HydrophobicContact CD2-CD1 3.59Å; W111-F118 AromaticContact CD2-CE1 3.99Å; W111-F118 HydrophobicContact CD2-CE1 3.99Å; W111-F118 HydrophobicContact CD2-CG 4.45Å; W111-F118 HydrophobicContact CE3-CB 4.1Å; W111-F118 AromaticContact CE3-CD1 3.7Å; W111-F118 HydrophobicContact CE3-CD1 3.7Å; W111-F118 HydrophobicContact CE3-CG 4.21Å; W111-F118 AromaticContact CG-CD1 3.66Å; W111-F118 HydrophobicContact CG-CD1 3.66Å; W111-F118 AromaticContact CG-CE1 3.74Å; W111-F118 HydrophobicContact CG-CE1 3.74Å; W111-F118 HydrophobicContact CZ3-CB 4.35Å; W111-M121 HydrophobicContact CE3-CG 3.81Å; W111-M121 HydrophobicContact CH2-CE 4.18Å; W111-M121 HydrophobicContact CH2-CG 3.74Å; W111-M121 HydrophobicContact CH2-SD 3.92Å; W111-M121 HydrophobicContact CZ2-CE 4.36Å; W111-M121 HydrophobicContact CZ3-CG 3.34Å; W111-M121 HydrophobicContact CZ3-SD 4.11Å; W111-L140 HydrophobicContact CH2-CD1 4.15Å; W111-L140 HydrophobicContact CZ3-CD1 3.84Å; W111-Y218 PolarHBondContact N-O 3.2Å; W111-F219 WeakPolarHBondContact O-CD1 3.45Å; W111-F219 VanDerWaalsContact O-CE1 3.25Å; W111-F219 WeakPolarHBondContact O-CE1 3.14Å
112	E	96.4	Very high	95.9	Very high	46 Å²	46	29 Å²	29	22%	0.215	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	125.2	160.5	-167	-171.8	-130.4	0	0	108.1	T119 G120 K137	E112-T119 WeakPolarHBondContact CG-OG1 3.24Å; E112-T119 PolarHBondContact O-N 3.04Å; E112-T119 PolarHBondContact O-OG1 2.84Å; E112-T119 PolarHBondContact OE2-OG1 2.95Å; E112-G120 PolarHBondContact N-O 3.35Å; E112-K137 WeakPolarHBondContact OE1-CE 3.36Å; E112-K137 IonicContact OE1-NZ 3.65Å; E112-K137 PolarHBondContact OE1-NZ 3.38Å; E112-K137 WeakPolarHBondContact OE2-CE 3.5Å; E112-K137 IonicContact OE2-NZ 3.43Å; E112-K137 PolarHBondContact OE2-NZ 3.34Å
113	I	96.1	Very high	96.2	Very high	31 Å²	31	26.5 Å²	26.5	16%	0.159	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	124.9	179.3	-62.9	170.9	0	0	0	108.2	W111 T117 F118 V176 F213 Y218 F219	W111-I113 HydrophobicContact CB-CG1 4.34Å; I113-T117 VanDerWaalsContact CA-O 3.29Å; I113-T117 WeakPolarHBondContact CA-O 3.41Å; I113-F118 HydrophobicContact CD1-CD1 4.23Å; I113-F118 HydrophobicContact CD1-CE1 3.92Å; I113-F118 HydrophobicContact CG1-CD1 3.86Å; I113-F118 HydrophobicContact CG1-CE1 4.09Å; I113-V176 HydrophobicContact CD1-CG1 4.33Å; I113-V176 HydrophobicContact CD1-CG2 4.01Å; I113-V176 HydrophobicContact CG1-CG2 4.12Å; I113-V176 HydrophobicContact CG2-CG2 3.8Å; I113-F213 HydrophobicContact CD1-CD1 4.41Å; I113-F213 HydrophobicContact CD1-CD2 3.93Å; I113-F213 HydrophobicContact CD1-CE2 4.15Å; I113-F213 HydrophobicContact CD1-CG 4.07Å; I113-F213 HydrophobicContact CG2-CE2 4.11Å; I113-Y218 HydrophobicContact CD1-CD2 3.99Å; I113-Y218 HydrophobicContact CD1-CG 4.46Å; I113-F219 HydrophobicContact CB-CE1 4.24Å; I113-F219 HydrophobicContact CB-CZ 4.08Å; I113-F219 HydrophobicContact CD1-CE1 3.93Å; I113-F219 HydrophobicContact CD1-CZ 4.11Å; I113-F219 HydrophobicContact CG1-CE1 4.08Å; I113-F219 HydrophobicContact CG1-CZ 4.34Å
114	A	94.2	Very high	96.3	Very high	42 Å²	42	29.3 Å²	29.3	35%	0.347	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	138.6	170.6	0	0	0	0	0	109.1	N116 T117 T119	A114-N116 VanDerWaalsContact C-N 3.25Å; A114-N116 PolarHBondContact O-N 3.1Å; A114-T117 PolarHBondContact N-O 2.69Å; A114-T117 PolarHBondContact O-N 2.97Å; A114-T117 PolarHBondContact O-OG1 2.93Å; A114-T119 HydrophobicContact CB-CG2 3.79Å
115	N	93.1	Very high	96.2	Very high	157 Å²	157	31.6 Å²	31.6	84%	0.84	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.7	42.7	179.7	-56.2	-33.4	0	0	0	113.4	T117	N115-T117 PolarHBondContact O-N 3.09Å
116	N	93.3	Very high	96.2	Very high	71 Å²	71	31.7 Å²	31.7	38%	0.38	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	23	-178.4	-52.4	-24.9	0	0	0	114.6	A114 V176 W188	A114-N116 VanDerWaalsContact C-N 3.25Å; A114-N116 PolarHBondContact O-N 3.1Å; N116-V176 WeakPolarHBondContact O-CB 3.4Å; N116-V176 VanDerWaalsContact O-CG2 3.3Å; N116-V176 WeakPolarHBondContact O-CG2 3.44Å; N116-V176 PolarHBondContact O-N 3.29Å; N116-W188 HydrophobicContact CB-CH2 3.96Å; N116-W188 HydrophobicContact CB-CZ2 4.27Å; N116-W188 WeakPolarHBondContact OD1-CH2 3.45Å; N116-W188 WeakPolarHBondContact OD1-CZ2 3.43Å
117	T	95.9	Very high	96.1	Very high	46 Å²	46	33.4 Å²	33.4	28%	0.282	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	143.4	176.5	65.9	0	0	0	0	111.5	I113 A114 N115 T119 L174 L175	I113-T117 VanDerWaalsContact CA-O 3.29Å; I113-T117 WeakPolarHBondContact CA-O 3.41Å; A114-T117 PolarHBondContact N-O 2.69Å; A114-T117 PolarHBondContact O-N 2.97Å; A114-T117 PolarHBondContact O-OG1 2.93Å; N115-T117 PolarHBondContact O-N 3.09Å; T117-T119 PolarHBondContact O-N 3.07Å; T117-L174 CarbonylContact C-O 3.51Å; T117-L174 WeakPolarHBondContact CA-O 3.32Å; T117-L175 HydrophobicContact CG2-CD2 3.84Å
118	F	96.6	Very high	95.9	Very high	1 Å²	1	36.8 Å²	36.8	0%	0.004	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	115.1	170.7	-62.5	-77.7	0	0	0	109.3	P61 W111 I113 L174 V176 T179 Y218	P61-F118 HydrophobicContact CG-CD2 3.64Å; P61-F118 HydrophobicContact CG-CE2 3.65Å; P61-F118 HydrophobicContact CG-CG 4.33Å; P61-F118 HydrophobicContact CG-CZ 4.35Å; W111-F118 HydrophobicContact CB-CD1 3.84Å; W111-F118 HydrophobicContact CB-CE1 4.05Å; W111-F118 AromaticContact CD2-CD1 3.59Å; W111-F118 HydrophobicContact CD2-CD1 3.59Å; W111-F118 AromaticContact CD2-CE1 3.99Å; W111-F118 HydrophobicContact CD2-CE1 3.99Å; W111-F118 HydrophobicContact CD2-CG 4.45Å; W111-F118 HydrophobicContact CE3-CB 4.1Å; W111-F118 AromaticContact CE3-CD1 3.7Å; W111-F118 HydrophobicContact CE3-CD1 3.7Å; W111-F118 HydrophobicContact CE3-CG 4.21Å; W111-F118 AromaticContact CG-CD1 3.66Å; W111-F118 HydrophobicContact CG-CD1 3.66Å; W111-F118 AromaticContact CG-CE1 3.74Å; W111-F118 HydrophobicContact CG-CE1 3.74Å; W111-F118 HydrophobicContact CZ3-CB 4.35Å; I113-F118 HydrophobicContact CD1-CD1 4.23Å; I113-F118 HydrophobicContact CD1-CE1 3.92Å; I113-F118 HydrophobicContact CG1-CD1 3.86Å; I113-F118 HydrophobicContact CG1-CE1 4.09Å; F118-L174 HydrophobicContact CB-CB 4.35Å; F118-L174 HydrophobicContact CB-CD2 4.18Å; F118-L174 WeakPolarHBondContact CD2-O 3.02Å; F118-L174 PolarHBondContact N-O 3.33Å; F118-V176 HydrophobicContact CD1-CG2 4.31Å; F118-V176 HydrophobicContact CD2-CG2 3.87Å; F118-V176 HydrophobicContact CE1-CG2 4.17Å; F118-V176 HydrophobicContact CE2-CB 4.17Å; F118-V176 HydrophobicContact CE2-CG2 3.7Å; F118-V176 HydrophobicContact CG-CG2 4.18Å; F118-V176 HydrophobicContact CZ-CB 4.33Å; F118-V176 HydrophobicContact CZ-CG1 4.2Å; F118-V176 HydrophobicContact CZ-CG2 3.86Å; F118-T179 HydrophobicContact CE2-CG2 4.06Å; F118-T179 VanDerWaalsContact CE2-OG1 3.31Å; F118-T179 WeakPolarHBondContact CE2-OG1 3.45Å; F118-Y218 HydrophobicContact CE1-CD1 4.39Å; F118-Y218 AromaticContact CE1-CD2 3.94Å; F118-Y218 HydrophobicContact CE1-CD2 3.94Å; F118-Y218 HydrophobicContact CE1-CE2 4.15Å; F118-Y218 HydrophobicContact CE1-CG 4.07Å; F118-Y218 AromaticContact CZ-CD2 3.93Å; F118-Y218 HydrophobicContact CZ-CD2 3.93Å; F118-Y218 HydrophobicContact CZ-CE1 4.28Å; F118-Y218 AromaticContact CZ-CE2 3.65Å; F118-Y218 HydrophobicContact CZ-CE2 3.65Å; F118-Y218 HydrophobicContact CZ-CG 4.36Å; F118-Y218 AromaticContact CZ-CZ 3.83Å
119	T	95	Very high	95.7	Very high	48 Å²	48	37.4 Å²	37.4	29%	0.294	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	-29.3	-179.2	52.8	0	0	0	0	112.7	E112 A114 T117	E112-T119 WeakPolarHBondContact CG-OG1 3.24Å; E112-T119 PolarHBondContact O-N 3.04Å; E112-T119 PolarHBondContact O-OG1 2.84Å; E112-T119 PolarHBondContact OE2-OG1 2.95Å; A114-T119 HydrophobicContact CB-CG2 3.79Å; T117-T119 PolarHBondContact O-N 3.07Å
120	G	95.8	Very high	95.3	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.4	175.2	-177.7	0	0	0	0	0	114	E112 V138	E112-G120 PolarHBondContact N-O 3.35Å; G120-V138 CarbonylContact C-O 3.6Å; G120-V138 WeakPolarHBondContact CA-O 3.32Å
121	M	97.7	Very high	95	Very high	4 Å²	4	51.4 Å²	51.4	2%	0.02	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	122	178.3	-62.8	178.7	80.1	0	0	108.7	F83 F86 W108 W111 V138 L140	F83-M121 HydrophobicContact CZ-SD 4.16Å; F86-M121 HydrophobicContact CD1-CE 3.66Å; F86-M121 HydrophobicContact CE1-CE 3.65Å; F86-M121 HydrophobicContact CG-CE 4.17Å; F86-M121 HydrophobicContact CZ-CE 4.12Å; W108-M121 HydrophobicContact CD2-CE 4.13Å; W108-M121 HydrophobicContact CE3-CB 4.15Å; W108-M121 HydrophobicContact CE3-CE 3.52Å; W108-M121 HydrophobicContact CH2-CE 3.8Å; W108-M121 HydrophobicContact CH2-CG 4.33Å; W108-M121 HydrophobicContact CZ2-CE 4.36Å; W108-M121 HydrophobicContact CZ3-CB 3.54Å; W108-M121 HydrophobicContact CZ3-CE 3.36Å; W108-M121 HydrophobicContact CZ3-CG 3.76Å; W108-M121 HydrophobicContact CZ3-SD 4.44Å; W111-M121 HydrophobicContact CE3-CG 3.81Å; W111-M121 HydrophobicContact CH2-CE 4.18Å; W111-M121 HydrophobicContact CH2-CG 3.74Å; W111-M121 HydrophobicContact CH2-SD 3.92Å; W111-M121 HydrophobicContact CZ2-CE 4.36Å; W111-M121 HydrophobicContact CZ3-CG 3.34Å; W111-M121 HydrophobicContact CZ3-SD 4.11Å; M121-V138 HydrophobicContact CB-CB 4.19Å; M121-V138 PolarHBondContact N-O 2.87Å; M121-V138 PolarHBondContact O-N 2.93Å; M121-L140 HydrophobicContact SD-CD2 4.44Å
122	W	97.9	Very high	94.8	Very high	47 Å²	47	58 Å²	58	18%	0.178	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	123.1	172.2	-80	110.3	0	0	0	110.2	H109 E110 K137	H109-W122 WeakPolarHBondContact CB-O 3.32Å; H109-W122 PolarHBondContact N-O 3.44Å; E110-W122 HydrophobicContact CG-CB 3.89Å; E110-W122 HydrophobicContact CG-CG 4.43Å; E110-W122 PolarHBondContact N-O 3.2Å; E110-W122 PolarHBondContact O-N 3.46Å; W122-K137 HydrophobicContact CE3-CB 4.08Å; W122-K137 HydrophobicContact CH2-CB 4.02Å; W122-K137 HydrophobicContact CH2-CD 4.02Å; W122-K137 HydrophobicContact CH2-CG 4.35Å; W122-K137 HydrophobicContact CZ2-CD 3.93Å; W122-K137 HydrophobicContact CZ2-CG 4.39Å; W122-K137 HydrophobicContact CZ3-CB 3.77Å; W122-K137 HydrophobicContact CZ3-CG 4.46Å
123	M	97.5	Very high	94.7	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	108.2	174.3	-45.6	-64.8	-72.1	0	0	107.5	F83 V89 I107 W108 Q135 S136 V138	F83-M123 HydrophobicContact CE2-CE 4.33Å; F83-M123 HydrophobicContact CE2-SD 4.49Å; V89-M123 HydrophobicContact CG2-CB 4.36Å; V89-M123 HydrophobicContact CG2-CE 4.07Å; V89-M123 HydrophobicContact CG2-CG 3.89Å; I107-M123 CarbonylContact O-C 3.56Å; I107-M123 WeakPolarHBondContact O-CA 3.31Å; W108-M123 HydrophobicContact CB-CE 3.97Å; W108-M123 HydrophobicContact CB-SD 4.2Å; W108-M123 HydrophobicContact CE3-SD 3.89Å; M123-Q135 CarbonylContact O-C 3.55Å; M123-Q135 VanDerWaalsContact O-CA 3.31Å; M123-Q135 WeakPolarHBondContact O-CA 3.3Å; M123-S136 WeakPolarHBondContact CA-O 3.42Å; M123-S136 WeakPolarHBondContact CB-O 2.97Å; M123-S136 PolarHBondContact N-O 2.71Å; M123-S136 PolarHBondContact O-N 3Å; M123-V138 HydrophobicContact CG-CG2 3.85Å
124	R	96.7	Very high	94.7	Very high	59 Å²	59	58 Å²	58	22%	0.223	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	175.4	-174.4	-58.7	-170.5	-169.4	-79.4	1.7	111.5	I107 H109 E110 G126	I107-R124 WeakPolarHBondContact CB-O 3.48Å; I107-R124 PolarHBondContact N-O 2.7Å; I107-R124 PolarHBondContact O-N 3.44Å; H109-R124 HydrophobicContact CB-CB 4.05Å; H109-R124 HydrophobicContact CB-CG 3.98Å; E110-R124 IonicContact OE1-CZ 3.64Å; E110-R124 IonicContact OE1-NE 3.75Å; E110-R124 PolarHBondContact OE1-NE 2.79Å; E110-R124 IonicContact OE1-NH2 3.77Å; E110-R124 PolarHBondContact OE1-NH2 2.96Å; E110-R124 VanDerWaalsContact OE1-NH2 3.08Å; R124-G126 VanDerWaalsContact C-N 3.28Å; R124-G126 PolarHBondContact O-N 3.14Å
125	D	95.3	Very high	94.8	Very high	50 Å²	50	58.3 Å²	58.3	27%	0.267	30%	0.299	S	S	.	.			trans	60.3	34.8	172.7	-43.7	-49.5	0	0	0	114.5	R53 I107 H109	R53-D125 IonicContact CZ-OD2 2.62Å; R53-D125 IonicContact NE-OD2 2.67Å; R53-D125 PolarHBondContact NE-OD2 3.36Å; R53-D125 IonicContact NH2-OD2 3.19Å; R53-D125 PolarHBondContact NH2-OD2 3.27Å; R53-D125 VanDerWaalsContact NH2-OD2 3.14Å; I107-D125 HydrophobicContact CD1-CB 4.41Å; I107-D125 VanDerWaalsContact CD1-O 3.29Å; I107-D125 WeakPolarHBondContact CD1-O 3.37Å; H109-D125 IonicContact CD2-OD2 2.97Å
126	G	95.5	Very high	95	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.01	26%	0.259	C	S	.	.			trans	-67.5	-168.9	167.8	0	0	0	0	0	112.3	K52 V104 R124 S133 R134	K52-G126 VanDerWaalsContact CE-O 3.26Å; K52-G126 WeakPolarHBondContact CE-O 3.47Å; K52-G126 PolarHBondContact NZ-O 3.49Å; V104-G126 CarbonylContact O-C 3.53Å; V104-G126 WeakPolarHBondContact O-CA 3.3Å; R124-G126 VanDerWaalsContact C-N 3.28Å; R124-G126 PolarHBondContact O-N 3.14Å; G126-S133 WeakPolarHBondContact O-CB 3.12Å; G126-R134 WeakPolarHBondContact CA-O 3.16Å; G126-R134 PolarHBondContact N-O 3.19Å
127	D	94.6	Very high	95.3	Very high	36 Å²	36	49.5 Å²	49.5	19%	0.193	25%	0.249	C	C	.	.	S	Bend	trans	-58.6	151.7	-178.5	-70.7	-12	0	0	0	112.2	G103 V104 C129 R134	G103-D127 WeakPolarHBondContact CA-OD2 3.25Å; V104-D127 PolarHBondContact N-OD2 3.34Å; V104-D127 PolarHBondContact O-N 2.97Å; D127-C129 PolarHBondContact O-N 2.66Å; D127-R134 PolarHBondContact O-N 2.72Å
128	A	94	Very high	95.4	Very high	73 Å²	73	47.3 Å²	47.3	60%	0.603	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-60	135.1	178.1	0	0	0	0	0	110.8	R134	A128-R134 PolarHBondContact O-NH1 3.28Å; A128-R134 VanDerWaalsContact O-NH1 3.14Å
129	C	92.8	Very high	95.5	Very high	14 Å²	14	51.3 Å²	51.3	10%	0.095	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	91.7	-177.4	-168.1	0	0	0	0	109.4	D127 S131 R132 R134 C157	D127-C129 PolarHBondContact O-N 2.66Å; C129-S131 PolarHBondContact O-N 2.74Å; C129-S131 VanDerWaalsContact O-N 3.13Å; C129-R132 CarbonylContact C-O 3.56Å; C129-R132 VanDerWaalsContact C-O 3.28Å; C129-R132 WeakPolarHBondContact CA-O 3.46Å; C129-R132 WeakPolarHBondContact CB-O 3.4Å; C129-R132 PolarHBondContact N-O 2.93Å; C129-R132 PolarHBondContact O-N 3.06Å; C129-R132 VanDerWaalsContact O-N 3.17Å; C129-R134 HydrophobicContact CB-CG 3.71Å; C129-C157 HydrophobicContact CB-CB 3.57Å; C129-C157 WeakPolarHBondContact CB-SG 3.46Å; C129-C157 PolarHBondContact O-SG 3.43Å; C129-C157 WeakPolarHBondContact SG-CB 3.42Å; C129-C157 CovalentContact SG-SG 2.01Å; C129-C157 PolarHBondContact SG-SG 3.25Å
130	R	89.4	Confident	95.5	Very high	236 Å²	236	50.1 Å²	50.1	89%	0.891	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	57	-111.8	-171.6	-56.8	176	179	-121.4	1.2	110.8
131	S	89.6	Confident	95.6	Very high	116 Å²	116	51.7 Å²	51.7	81%	0.811	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-2.3	-177.1	57.1	0	0	0	0	114.5	C129	C129-S131 PolarHBondContact O-N 2.74Å; C129-S131 VanDerWaalsContact O-N 3.13Å
132	R	92.4	Very high	95.6	Very high	139 Å²	139	55.3 Å²	55.3	53%	0.525	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	157.8	-179.3	62.2	-176.6	68.3	-179.7	-0.9	111.2	C129 C157	C129-R132 CarbonylContact C-O 3.56Å; C129-R132 VanDerWaalsContact C-O 3.28Å; C129-R132 WeakPolarHBondContact CA-O 3.46Å; C129-R132 WeakPolarHBondContact CB-O 3.4Å; C129-R132 PolarHBondContact N-O 2.93Å; C129-R132 PolarHBondContact O-N 3.06Å; C129-R132 VanDerWaalsContact O-N 3.17Å; R132-C157 HydrophobicContact CG-CB 4.26Å
133	S	94.7	Very high	95.5	Very high	42 Å²	42	53.5 Å²	53.5	29%	0.294	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	147.2	166.2	-67.3	0	0	0	0	109.6	K52 G126	K52-S133 PolarHBondContact NZ-OG 3.37Å; G126-S133 WeakPolarHBondContact O-CB 3.12Å
134	R	96.4	Very high	95.5	Very high	36 Å²	36	63.2 Å²	63.2	14%	0.136	32%	0.322	C	S	.	.			trans	-58.5	142.2	169	-68.5	-177	175	82.5	-5.5	109.7	Y101 L105 G126 D127 A128 C129 C157 Y159	Y101-R134 PolarHBondContact OH-NH1 3.17Å; Y101-R134 VanDerWaalsContact OH-NH1 3.1Å; Y101-R134 PolarHBondContact OH-NH2 3.47Å; L105-R134 CarbonylContact O-C 3.4Å; L105-R134 VanDerWaalsContact O-C 3.3Å; G126-R134 WeakPolarHBondContact CA-O 3.16Å; G126-R134 PolarHBondContact N-O 3.19Å; D127-R134 PolarHBondContact O-N 2.72Å; A128-R134 PolarHBondContact O-NH1 3.28Å; A128-R134 VanDerWaalsContact O-NH1 3.14Å; C129-R134 HydrophobicContact CB-CG 3.71Å; R134-C157 WeakPolarHBondContact CA-O 3.33Å; R134-C157 HydrophobicContact CG-CB 4.21Å; R134-Y159 HydrophobicContact CB-CE2 4.25Å; R134-Y159 HydrophobicContact CG-CE2 4.12Å
135	Q	97	Very high	95.5	Very high	48 Å²	48	63 Å²	63	22%	0.224	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	149.5	174.9	61.4	-178.6	-3.8	0	0	110	L105 M123 C157 V158 Y159	L105-Q135 CarbonylContact O-C 3.58Å; L105-Q135 VanDerWaalsContact O-CA 3.32Å; L105-Q135 WeakPolarHBondContact O-CA 3.33Å; L105-Q135 PolarHBondContact O-N 2.61Å; M123-Q135 CarbonylContact O-C 3.55Å; M123-Q135 VanDerWaalsContact O-CA 3.31Å; M123-Q135 WeakPolarHBondContact O-CA 3.3Å; Q135-C157 PolarHBondContact N-O 3.29Å; Q135-C157 VanDerWaalsContact N-O 3.07Å; Q135-V158 HydrophobicContact CG-CB 4.49Å; Q135-V158 HydrophobicContact CG-CG1 4.31Å; Q135-V158 HydrophobicContact CG-CG2 4.04Å; Q135-V158 WeakPolarHBondContact O-CA 3.27Å; Q135-Y159 PolarHBondContact O-N 2.8Å
136	S	97.9	Very high	95.6	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	136.9	-178.9	-50.3	0	0	0	0	110.2	L105 M123 Y159	L105-S136 VanDerWaalsContact CB-OG 3.31Å; L105-S136 WeakPolarHBondContact CB-OG 3.48Å; L105-S136 PolarHBondContact O-OG 2.89Å; M123-S136 WeakPolarHBondContact CA-O 3.42Å; M123-S136 WeakPolarHBondContact CB-O 2.97Å; M123-S136 PolarHBondContact N-O 2.71Å; M123-S136 PolarHBondContact O-N 3Å; S136-Y159 CarbonylContact C-O 3.51Å; S136-Y159 VanDerWaalsContact CA-O 3.3Å; S136-Y159 WeakPolarHBondContact CA-O 3.46Å
137	K	98.2	Very high	95.7	Very high	43 Å²	43	68.1 Å²	68.1	19%	0.187	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	124.7	168.1	-179.1	176.9	169.6	167.8	0	108.4	E112 W122 E139 Y159 A160 L161	E112-K137 WeakPolarHBondContact OE1-CE 3.36Å; E112-K137 IonicContact OE1-NZ 3.65Å; E112-K137 PolarHBondContact OE1-NZ 3.38Å; E112-K137 WeakPolarHBondContact OE2-CE 3.5Å; E112-K137 IonicContact OE2-NZ 3.43Å; E112-K137 PolarHBondContact OE2-NZ 3.34Å; W122-K137 HydrophobicContact CE3-CB 4.08Å; W122-K137 HydrophobicContact CH2-CB 4.02Å; W122-K137 HydrophobicContact CH2-CD 4.02Å; W122-K137 HydrophobicContact CH2-CG 4.35Å; W122-K137 HydrophobicContact CZ2-CD 3.93Å; W122-K137 HydrophobicContact CZ2-CG 4.39Å; W122-K137 HydrophobicContact CZ3-CB 3.77Å; W122-K137 HydrophobicContact CZ3-CG 4.46Å; K137-E139 HydrophobicContact CG-CG 4.5Å; K137-E139 IonicContact NZ-OE1 3.08Å; K137-Y159 PolarHBondContact N-O 2.84Å; K137-A160 WeakPolarHBondContact O-CA 3.18Å; K137-L161 PolarHBondContact O-N 3.45Å
138	V	98.4	Very high	95.8	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	115.1	175.8	-171.4	0	0	0	0	109.2	F83 V89 G120 M121 M123 L161 F163	F83-V138 HydrophobicContact CD1-CG1 4.34Å; F83-V138 HydrophobicContact CD2-CG2 4.29Å; F83-V138 HydrophobicContact CE1-CG1 3.78Å; F83-V138 HydrophobicContact CE2-CG1 4.38Å; F83-V138 HydrophobicContact CE2-CG2 3.93Å; F83-V138 HydrophobicContact CZ-CB 4.32Å; F83-V138 HydrophobicContact CZ-CG1 3.8Å; F83-V138 HydrophobicContact CZ-CG2 4.17Å; V89-V138 HydrophobicContact CG2-CG2 4.33Å; G120-V138 CarbonylContact C-O 3.6Å; G120-V138 WeakPolarHBondContact CA-O 3.32Å; M121-V138 HydrophobicContact CB-CB 4.19Å; M121-V138 PolarHBondContact N-O 2.87Å; M121-V138 PolarHBondContact O-N 2.93Å; M123-V138 HydrophobicContact CG-CG2 3.85Å; V138-L161 CarbonylContact C-O 3.58Å; V138-L161 WeakPolarHBondContact CA-O 3.39Å; V138-L161 HydrophobicContact CB-CB 4.48Å; V138-L161 HydrophobicContact CG1-CB 4.29Å; V138-L161 HydrophobicContact CG2-CB 4.19Å; V138-F163 HydrophobicContact CG1-CB 3.79Å
139	E	97.9	Very high	95.9	Very high	86 Å²	86	64.7 Å²	64.7	40%	0.402	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	132.5	175.2	-64	-178.5	166.9	0	0	109.7	K137 L161 F163	K137-E139 HydrophobicContact CG-CG 4.5Å; K137-E139 IonicContact NZ-OE1 3.08Å; E139-L161 PolarHBondContact N-O 3.36Å; E139-F163 PolarHBondContact O-N 3.35Å
140	L	96.6	Very high	96.1	Very high	23 Å²	23	68 Å²	68	12%	0.12	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	120.8	179.8	-60.2	176.6	0	0	0	109.5	L64 W111 M121 F163 V168 L174	L64-L140 HydrophobicContact CD1-CD1 3.73Å; W111-L140 HydrophobicContact CH2-CD1 4.15Å; W111-L140 HydrophobicContact CZ3-CD1 3.84Å; M121-L140 HydrophobicContact SD-CD2 4.44Å; L140-F163 HydrophobicContact CD2-CB 4.33Å; L140-F163 HydrophobicContact CD2-CD1 3.91Å; L140-V168 HydrophobicContact CB-CG1 4.23Å; L140-V168 HydrophobicContact CB-CG2 4.45Å; L140-V168 HydrophobicContact CD1-CG1 4.3Å; L140-L174 HydrophobicContact CD1-CD2 4.16Å
141	A	96.9	Very high	96.5	Very high	32 Å²	32	57.1 Å²	57.1	26%	0.264	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	146.7	179	0	0	0	0	0	111.4	G143 T162 F163 E164 T165 V168	A141-G143 PolarHBondContact O-N 2.96Å; A141-T162 HydrophobicContact CB-CG2 3.84Å; A141-F163 PolarHBondContact N-O 3.43Å; A141-E164 HydrophobicContact CB-CG 4.16Å; A141-E164 CarbonylContact O-C 3.6Å; A141-E164 WeakPolarHBondContact O-CA 3.26Å; A141-T165 PolarHBondContact O-N 3.49Å; A141-V168 VanDerWaalsContact C-CG2 3.42Å; A141-V168 VanDerWaalsContact O-CG2 3.32Å; A141-V168 WeakPolarHBondContact O-CG2 3.39Å
142	C	97.4	Very high	96.8	Very high	81 Å²	81	53.7 Å²	53.7	55%	0.547	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	127.3	171	170.1	0	0	0	0	109.9	C169	C142-C169 WeakPolarHBondContact CA-SG 3.3Å; C142-C169 HydrophobicContact CB-CB 3.94Å; C142-C169 WeakPolarHBondContact CB-SG 3.31Å; C142-C169 VanDerWaalsContact SG-CA 3.53Å; C142-C169 WeakPolarHBondContact SG-CB 3.34Å; C142-C169 CovalentContact SG-SG 2.04Å; C142-C169 PolarHBondContact SG-SG 3.39Å
143	G	96.6	Very high	97	Very high	8 Å²	8	51.5 Å²	51.5	8%	0.082	27%	0.271	C	S	.	.			trans	-147.6	165.7	177.8	0	0	0	0	0	112.7	A141 S145 E164 T165 P166	A141-G143 PolarHBondContact O-N 2.96Å; G143-S145 VanDerWaalsContact C-N 3.32Å; G143-S145 PolarHBondContact O-N 2.93Å; G143-E164 WeakPolarHBondContact CA-OE2 3.32Å; G143-T165 PolarHBondContact N-O 2.86Å; G143-T165 CarbonylContact O-C 3.43Å; G143-P166 WeakPolarHBondContact O-CA 3.42Å; G143-P166 WeakPolarHBondContact O-CB 3.5Å; G143-P166 WeakPolarHBondContact O-CD 3.22Å
144	K	96.5	Very high	97	Very high	205 Å²	205	53.9 Å²	53.9	89%	0.891	29%	0.285	S	S	*	.	S	Bend	trans	-73.5	-24.9	-179	-63.9	180	-177.6	176.5	0	113.1
145	S	96.6	Very high	96.9	Very high	54 Å²	54	54.9 Å²	54.9	38%	0.378	30%	0.298	S	S	.	.	S	Bend	trans	-141.2	156.6	-176.4	58.2	0	0	0	0	110.2	G143 R147 E164	G143-S145 VanDerWaalsContact C-N 3.32Å; G143-S145 PolarHBondContact O-N 2.93Å; S145-R147 PolarHBondContact O-N 3.44Å; S145-R147 PolarHBondContact OG-NH1 2.67Å; S145-E164 CarbonylContact O-C 3.46Å
146	N	97.6	Very high	96.8	Very high	59 Å²	59	56.9 Å²	56.9	32%	0.316	31%	0.313	S	S	.	.			trans	-74	107.4	172.4	-59.6	-48.7	0	0	0	109	F72 F163 E164 T165 P166	F72-N146 HydrophobicContact CD1-CB 4.23Å; F72-N146 WeakPolarHBondContact CD1-O 3.45Å; F72-N146 HydrophobicContact CE1-CB 3.42Å; F72-N146 VanDerWaalsContact CE1-CB 3.42Å; F72-N146 WeakPolarHBondContact CE1-O 3.39Å; F72-N146 HydrophobicContact CZ-CB 3.67Å; N146-F163 HydrophobicContact CB-CZ 4.11Å; N146-E164 CarbonylContact C-O 3.52Å; N146-E164 VanDerWaalsContact CA-O 3.27Å; N146-E164 WeakPolarHBondContact CA-O 3.36Å; N146-T165 VanDerWaalsContact OD1-CB 3.3Å; N146-T165 WeakPolarHBondContact OD1-CB 3.21Å; N146-T165 PolarHBondContact OD1-OG1 3.14Å; N146-P166 WeakPolarHBondContact OD1-CD 3.41Å
147	R	97.1	Very high	96.6	Very high	99 Å²	99	57 Å²	57	37%	0.374	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	150.9	177.1	68.6	-175.7	-170.3	-67.6	-8.2	112.2	S145 A149 F163 E164	S145-R147 PolarHBondContact O-N 3.44Å; S145-R147 PolarHBondContact OG-NH1 2.67Å; R147-A149 PolarHBondContact O-N 2.89Å; R147-F163 WeakPolarHBondContact O-CD2 3.38Å; R147-E164 HydrophobicContact CG-CB 4.28Å; R147-E164 IonicContact CZ-OE1 3.98Å; R147-E164 IonicContact CZ-OE2 3.83Å; R147-E164 PolarHBondContact N-O 2.85Å; R147-E164 IonicContact NH1-OE2 3.86Å; R147-E164 PolarHBondContact NH1-OE2 3.47Å; R147-E164 IonicContact NH2-OE1 2.72Å; R147-E164 PolarHBondContact NH2-OE1 3.2Å; R147-E164 IonicContact NH2-OE2 3.73Å; R147-E164 PolarHBondContact NH2-OE2 3.1Å; R147-E164 PolarHBondContact O-N 3.27Å
148	L	97.6	Very high	96.6	Very high	4 Å²	4	56 Å²	56	2%	0.021	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	114	165.8	-177.4	58.5	0	0	0	107.9	F72 L74 F83 V151 L161	F72-L148 HydrophobicContact CB-CB 4.5Å; L74-L148 HydrophobicContact CB-CB 4.07Å; L74-L148 HydrophobicContact CB-CD2 3.82Å; L74-L148 HydrophobicContact CB-CG 3.88Å; L74-L148 HydrophobicContact CD2-CG 4.33Å; F83-L148 HydrophobicContact CB-CD2 4.3Å; L148-V151 HydrophobicContact CD1-CG2 4.1Å; L148-V151 HydrophobicContact CD2-CG2 3.75Å; L148-V151 HydrophobicContact CG-CG2 3.98Å; L148-L161 HydrophobicContact CD1-CB 3.98Å; L148-L161 HydrophobicContact CD1-CD2 3.88Å; L148-L161 HydrophobicContact CD1-CG 4.3Å; L148-L161 HydrophobicContact CD2-CD2 4.26Å
149	A	97.1	Very high	96.5	Very high	34 Å²	34	56.4 Å²	56.4	28%	0.281	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-38	-169.7	0	0	0	0	0	112.7	R147 T162 E164	R147-A149 PolarHBondContact O-N 2.89Å; A149-T162 WeakPolarHBondContact CB-O 3.46Å; A149-T162 PolarHBondContact N-O 2.87Å; A149-E164 HydrophobicContact CB-CB 4.33Å; A149-E164 HydrophobicContact CB-CG 3.84Å
150	H	96.8	Very high	96.5	Very high	83 Å²	83	53.5 Å²	53.5	38%	0.384	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	146.5	-178.6	-176.6	53.8	0	0	0	111.3	E76 L161 T162	E76-H150 IonicContact OE1-ND1 3.81Å; H150-L161 WeakPolarHBondContact O-CA 3.24Å; H150-T162 PolarHBondContact N-O 3.08Å; H150-T162 PolarHBondContact O-N 2.85Å
151	V	97.3	Very high	96.6	Very high	8 Å²	8	52.5 Å²	52.5	5%	0.048	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	135.1	172.5	-176.9	0	0	0	0	109.2	L74 E76 Y81 L148 L161	L74-V151 HydrophobicContact CD2-CG2 4.11Å; E76-V151 PolarHBondContact OE2-N 2.84Å; Y81-V151 HydrophobicContact CD1-CG1 3.83Å; Y81-V151 HydrophobicContact CD2-CB 4.06Å; Y81-V151 HydrophobicContact CD2-CG1 4.09Å; Y81-V151 HydrophobicContact CD2-CG2 4.03Å; Y81-V151 HydrophobicContact CE1-CG1 3.79Å; Y81-V151 HydrophobicContact CE2-CB 4.25Å; Y81-V151 HydrophobicContact CE2-CG1 4.08Å; Y81-V151 HydrophobicContact CG-CB 4.24Å; Y81-V151 HydrophobicContact CG-CG1 3.96Å; Y81-V151 HydrophobicContact CG-CG2 3.94Å; L148-V151 HydrophobicContact CD1-CG2 4.1Å; L148-V151 HydrophobicContact CD2-CG2 3.75Å; L148-V151 HydrophobicContact CG-CG2 3.98Å; V151-L161 HydrophobicContact CG1-CG 4.17Å; V151-L161 HydrophobicContact CG2-CD2 4.24Å; V151-L161 HydrophobicContact CG2-CG 4.02Å
152	S	96.4	Very high	96.6	Very high	44 Å²	44	52.7 Å²	52.7	31%	0.308	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	155.1	174.8	61.3	0	0	0	0	111.6	P154 Y159 A160	S152-P154 VanDerWaalsContact C-CD 3.42Å; S152-P154 VanDerWaalsContact O-CD 3.23Å; S152-P154 WeakPolarHBondContact O-CD 3.23Å; S152-Y159 CarbonylContact O-C 3.56Å; S152-Y159 VanDerWaalsContact O-CA 3.3Å; S152-Y159 WeakPolarHBondContact O-CA 3.46Å; S152-A160 PolarHBondContact N-O 2.86Å; S152-A160 PolarHBondContact O-N 2.88Å; S152-A160 PolarHBondContact OG-O 2.89Å
153	E	95.8	Very high	96.7	Very high	92 Å²	92	48.9 Å²	48.9	43%	0.43	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	80.2	170.9	-172.1	172.9	175.8	0	0	108.8	S155 T156 C157 Y159	E153-S155 VanDerWaalsContact CG-O 3.27Å; E153-S155 WeakPolarHBondContact CG-O 3.3Å; E153-S155 PolarHBondContact O-N 3.24Å; E153-T156 WeakPolarHBondContact OE1-CA 3.42Å; E153-C157 PolarHBondContact OE1-N 2.92Å; E153-Y159 HydrophobicContact CB-CD1 3.91Å; E153-Y159 HydrophobicContact CB-CE1 3.82Å; E153-Y159 HydrophobicContact CG-CD1 4.09Å; E153-Y159 HydrophobicContact CG-CE1 3.75Å; E153-Y159 WeakPolarHBondContact OE2-CE1 3.1Å; E153-Y159 PolarHBondContact OE2-OH 2.81Å
154	P	95.4	Very high	96.7	Very high	92 Å²	92	50.4 Å²	50.4	60%	0.597	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.5	-26.7	-178	23.5	-36	0	0	0	113.5	S152 V158 A160	S152-P154 VanDerWaalsContact C-CD 3.42Å; S152-P154 VanDerWaalsContact O-CD 3.23Å; S152-P154 WeakPolarHBondContact O-CD 3.23Å; P154-V158 VanDerWaalsContact CD-O 3.22Å; P154-V158 WeakPolarHBondContact CD-O 3.22Å; P154-A160 HydrophobicContact CG-CB 4.15Å
155	S	94.3	Very high	96.8	Very high	58 Å²	58	40.6 Å²	40.6	41%	0.406	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	155.9	171.3	66.1	0	0	0	0	109.8	E153 C157 V158	E153-S155 VanDerWaalsContact CG-O 3.27Å; E153-S155 WeakPolarHBondContact CG-O 3.3Å; E153-S155 PolarHBondContact O-N 3.24Å; S155-C157 PolarHBondContact O-N 3.4Å; S155-V158 PolarHBondContact O-N 2.86Å; S155-V158 VanDerWaalsContact OG-CB 3.27Å; S155-V158 WeakPolarHBondContact OG-CB 3.38Å; S155-V158 WeakPolarHBondContact OG-CG2 3.27Å
156	T	93.9	Very high	96.8	Very high	89 Å²	89	40.9 Å²	40.9	55%	0.546	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	126.8	-175.9	-47.1	0	0	0	0	111.6	E153 V158	E153-T156 WeakPolarHBondContact OE1-CA 3.42Å; T156-V158 PolarHBondContact O-N 3.44Å
157	C	94.8	Very high	96.8	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.02	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.1	7.9	-177.4	-36.5	0	0	0	0	115.6	C129 R132 R134 Q135 E153 S155	C129-C157 HydrophobicContact CB-CB 3.57Å; C129-C157 WeakPolarHBondContact CB-SG 3.46Å; C129-C157 PolarHBondContact O-SG 3.43Å; C129-C157 WeakPolarHBondContact SG-CB 3.42Å; C129-C157 CovalentContact SG-SG 2.01Å; C129-C157 PolarHBondContact SG-SG 3.25Å; R132-C157 HydrophobicContact CG-CB 4.26Å; R134-C157 WeakPolarHBondContact CA-O 3.33Å; R134-C157 HydrophobicContact CG-CB 4.21Å; Q135-C157 PolarHBondContact N-O 3.29Å; Q135-C157 VanDerWaalsContact N-O 3.07Å; E153-C157 PolarHBondContact OE1-N 2.92Å; S155-C157 PolarHBondContact O-N 3.4Å
158	V	96.6	Very high	96.8	Very high	22 Å²	22	35.6 Å²	35.6	13%	0.133	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	119.6	177.4	-177.3	0	0	0	0	108.9	Q135 P154 S155 T156	Q135-V158 HydrophobicContact CG-CB 4.49Å; Q135-V158 HydrophobicContact CG-CG1 4.31Å; Q135-V158 HydrophobicContact CG-CG2 4.04Å; Q135-V158 WeakPolarHBondContact O-CA 3.27Å; P154-V158 VanDerWaalsContact CD-O 3.22Å; P154-V158 WeakPolarHBondContact CD-O 3.22Å; S155-V158 PolarHBondContact O-N 2.86Å; S155-V158 VanDerWaalsContact OG-CB 3.27Å; S155-V158 WeakPolarHBondContact OG-CB 3.38Å; S155-V158 WeakPolarHBondContact OG-CG2 3.27Å; T156-V158 PolarHBondContact O-N 3.44Å
159	Y	97.2	Very high	96.7	Very high	8 Å²	8	38.1 Å²	38.1	3%	0.031	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	145.7	-175.8	-57.7	-88.5	0	0	0	110.7	L105 R134 Q135 S136 K137 S152 E153	L105-Y159 HydrophobicContact CB-CD2 4.11Å; L105-Y159 HydrophobicContact CB-CE2 4.43Å; L105-Y159 HydrophobicContact CD1-CD1 4.01Å; L105-Y159 HydrophobicContact CD1-CD2 4.11Å; L105-Y159 HydrophobicContact CD1-CE1 4.25Å; L105-Y159 HydrophobicContact CD1-CE2 4.35Å; L105-Y159 HydrophobicContact CD1-CG 3.95Å; L105-Y159 HydrophobicContact CD2-CD2 4.16Å; L105-Y159 HydrophobicContact CD2-CE1 4.42Å; L105-Y159 HydrophobicContact CD2-CE2 3.69Å; L105-Y159 HydrophobicContact CG-CD2 4.37Å; L105-Y159 HydrophobicContact CG-CE2 4.38Å; R134-Y159 HydrophobicContact CB-CE2 4.25Å; R134-Y159 HydrophobicContact CG-CE2 4.12Å; Q135-Y159 PolarHBondContact O-N 2.8Å; S136-Y159 CarbonylContact C-O 3.51Å; S136-Y159 VanDerWaalsContact CA-O 3.3Å; S136-Y159 WeakPolarHBondContact CA-O 3.46Å; K137-Y159 PolarHBondContact N-O 2.84Å; S152-Y159 CarbonylContact O-C 3.56Å; S152-Y159 VanDerWaalsContact O-CA 3.3Å; S152-Y159 WeakPolarHBondContact O-CA 3.46Å; E153-Y159 HydrophobicContact CB-CD1 3.91Å; E153-Y159 HydrophobicContact CB-CE1 3.82Å; E153-Y159 HydrophobicContact CG-CD1 4.09Å; E153-Y159 HydrophobicContact CG-CE1 3.75Å; E153-Y159 WeakPolarHBondContact OE2-CE1 3.1Å; E153-Y159 PolarHBondContact OE2-OH 2.81Å
160	A	98.1	Very high	96.6	Very high	26 Å²	26	42.1 Å²	42.1	22%	0.215	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	123.9	170.9	0	0	0	0	0	108.5	K137 S152 P154	K137-A160 WeakPolarHBondContact O-CA 3.18Å; S152-A160 PolarHBondContact N-O 2.86Å; S152-A160 PolarHBondContact O-N 2.88Å; S152-A160 PolarHBondContact OG-O 2.89Å; P154-A160 HydrophobicContact CG-CB 4.15Å
161	L	98.1	Very high	96.5	Very high	1 Å²	1	43 Å²	43	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	139.9	-178.5	-68.3	79	0	0	0	108.8	F83 V89 K137 V138 E139 L148 H150 V151	F83-L161 HydrophobicContact CB-CD2 4.48Å; V89-L161 HydrophobicContact CG1-CD2 3.68Å; V89-L161 HydrophobicContact CG2-CD2 4.2Å; K137-L161 PolarHBondContact O-N 3.45Å; V138-L161 CarbonylContact C-O 3.58Å; V138-L161 WeakPolarHBondContact CA-O 3.39Å; V138-L161 HydrophobicContact CB-CB 4.48Å; V138-L161 HydrophobicContact CG1-CB 4.29Å; V138-L161 HydrophobicContact CG2-CB 4.19Å; E139-L161 PolarHBondContact N-O 3.36Å; L148-L161 HydrophobicContact CD1-CB 3.98Å; L148-L161 HydrophobicContact CD1-CD2 3.88Å; L148-L161 HydrophobicContact CD1-CG 4.3Å; L148-L161 HydrophobicContact CD2-CD2 4.26Å; H150-L161 WeakPolarHBondContact O-CA 3.24Å; V151-L161 HydrophobicContact CG1-CG 4.17Å; V151-L161 HydrophobicContact CG2-CD2 4.24Å; V151-L161 HydrophobicContact CG2-CG 4.02Å
162	T	98.2	Very high	96.3	Very high	37 Å²	37	48.1 Å²	48.1	23%	0.227	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	114.9	170.7	-51.5	0	0	0	0	108.8	A141 A149 H150	A141-T162 HydrophobicContact CB-CG2 3.84Å; A149-T162 WeakPolarHBondContact CB-O 3.46Å; A149-T162 PolarHBondContact N-O 2.87Å; H150-T162 PolarHBondContact N-O 3.08Å; H150-T162 PolarHBondContact O-N 2.85Å
163	F	98.3	Very high	96.3	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	118	176.4	-177.4	-105.8	0	0	0	110.3	L67 F72 F83 V138 E139 L140 A141 N146 R147 T165	L67-F163 HydrophobicContact CD1-CE1 3.78Å; L67-F163 HydrophobicContact CD1-CZ 4.36Å; F72-F163 HydrophobicContact CB-CE2 4Å; F72-F163 HydrophobicContact CD1-CE2 4.22Å; F72-F163 AromaticContact CD2-CE2 3.42Å; F72-F163 HydrophobicContact CD2-CE2 3.42Å; F72-F163 VanDerWaalsContact CD2-CE2 3.42Å; F72-F163 AromaticContact CD2-CZ 3.68Å; F72-F163 HydrophobicContact CD2-CZ 3.68Å; F72-F163 AromaticContact CE2-CE2 3.9Å; F72-F163 HydrophobicContact CE2-CE2 3.9Å; F72-F163 AromaticContact CE2-CZ 3.63Å; F72-F163 HydrophobicContact CE2-CZ 3.63Å; F72-F163 AromaticContact CG-CE2 3.6Å; F72-F163 HydrophobicContact CG-CE2 3.6Å; F72-F163 HydrophobicContact CG-CZ 4.15Å; F72-F163 HydrophobicContact CZ-CE2 4.47Å; F72-F163 HydrophobicContact CZ-CZ 4.07Å; F83-F163 HydrophobicContact CD1-CB 4.21Å; F83-F163 AromaticContact CD1-CD2 3.63Å; F83-F163 HydrophobicContact CD1-CD2 3.63Å; F83-F163 HydrophobicContact CD1-CE2 4.17Å; F83-F163 AromaticContact CD1-CG 3.95Å; F83-F163 HydrophobicContact CD1-CG 3.95Å; F83-F163 HydrophobicContact CE1-CB 3.92Å; F83-F163 HydrophobicContact CE1-CD1 4.13Å; F83-F163 AromaticContact CE1-CD2 3.82Å; F83-F163 HydrophobicContact CE1-CD2 3.82Å; F83-F163 HydrophobicContact CE1-CE2 4.37Å; F83-F163 AromaticContact CE1-CG 3.67Å; F83-F163 HydrophobicContact CE1-CG 3.67Å; V138-F163 HydrophobicContact CG1-CB 3.79Å; E139-F163 PolarHBondContact O-N 3.35Å; L140-F163 HydrophobicContact CD2-CB 4.33Å; L140-F163 HydrophobicContact CD2-CD1 3.91Å; A141-F163 PolarHBondContact N-O 3.43Å; N146-F163 HydrophobicContact CB-CZ 4.11Å; R147-F163 WeakPolarHBondContact O-CD2 3.38Å; F163-T165 HydrophobicContact CD1-CG2 4.21Å; F163-T165 HydrophobicContact CE1-CG2 4.06Å
164	E	98.1	Very high	96.3	Very high	40 Å²	40	43.9 Å²	43.9	19%	0.187	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	133.7	176.5	-86	-172.6	-136.2	0	0	111	A141 G143 S145 N146 R147 A149	A141-E164 HydrophobicContact CB-CG 4.16Å; A141-E164 CarbonylContact O-C 3.6Å; A141-E164 WeakPolarHBondContact O-CA 3.26Å; G143-E164 WeakPolarHBondContact CA-OE2 3.32Å; S145-E164 CarbonylContact O-C 3.46Å; N146-E164 CarbonylContact C-O 3.52Å; N146-E164 VanDerWaalsContact CA-O 3.27Å; N146-E164 WeakPolarHBondContact CA-O 3.36Å; R147-E164 HydrophobicContact CG-CB 4.28Å; R147-E164 IonicContact CZ-OE1 3.98Å; R147-E164 IonicContact CZ-OE2 3.83Å; R147-E164 PolarHBondContact N-O 2.85Å; R147-E164 IonicContact NH1-OE2 3.86Å; R147-E164 PolarHBondContact NH1-OE2 3.47Å; R147-E164 IonicContact NH2-OE1 2.72Å; R147-E164 PolarHBondContact NH2-OE1 3.2Å; R147-E164 IonicContact NH2-OE2 3.73Å; R147-E164 PolarHBondContact NH2-OE2 3.1Å; R147-E164 PolarHBondContact O-N 3.27Å; A149-E164 HydrophobicContact CB-CB 4.33Å; A149-E164 HydrophobicContact CB-CG 3.84Å
165	T	97.6	Very high	96.3	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	142	173.6	177.5	0	0	0	0	111.9	A141 G143 N146 F163 L167 V168	A141-T165 PolarHBondContact O-N 3.49Å; G143-T165 PolarHBondContact N-O 2.86Å; G143-T165 CarbonylContact O-C 3.43Å; N146-T165 VanDerWaalsContact OD1-CB 3.3Å; N146-T165 WeakPolarHBondContact OD1-CB 3.21Å; N146-T165 PolarHBondContact OD1-OG1 3.14Å; F163-T165 HydrophobicContact CD1-CG2 4.21Å; F163-T165 HydrophobicContact CE1-CG2 4.06Å; T165-L167 HydrophobicContact CG2-CB 4.26Å; T165-L167 PolarHBondContact O-N 3.25Å; T165-L167 WeakPolarHBondContact OG1-CB 3.25Å; T165-L167 WeakPolarHBondContact OG1-CG 3.38Å; T165-L167 PolarHBondContact OG1-N 3.23Å; T165-V168 HydrophobicContact CG2-CB 4.3Å; T165-V168 HydrophobicContact CG2-CG1 3.77Å; T165-V168 HydrophobicContact CG2-CG2 3.77Å
166	P	97.4	Very high	96.5	Very high	60 Å²	60	39.3 Å²	39.3	39%	0.39	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-65.6	-15.8	172.2	26.4	-35.6	0	0	0	112.8	G143 N146 V168 C169	G143-P166 WeakPolarHBondContact O-CA 3.42Å; G143-P166 WeakPolarHBondContact O-CB 3.5Å; G143-P166 WeakPolarHBondContact O-CD 3.22Å; N146-P166 WeakPolarHBondContact OD1-CD 3.41Å; P166-V168 PolarHBondContact O-N 2.95Å; P166-C169 PolarHBondContact O-N 3.41Å
167	L	96.4	Very high	96.6	Very high	34 Å²	34	39.1 Å²	39.1	18%	0.178	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-71	-20.4	-175	-59	174.2	0	0	0	113.2	L64 R66 L67 T165	L64-L167 HydrophobicContact CD2-CB 3.98Å; L64-L167 HydrophobicContact CD2-CD1 4.3Å; R66-L167 HydrophobicContact CG-CD1 3.9Å; L67-L167 HydrophobicContact CD1-CD1 3.98Å; L67-L167 HydrophobicContact CD2-CD1 3.93Å; L67-L167 HydrophobicContact CG-CD1 3.85Å; T165-L167 HydrophobicContact CG2-CB 4.26Å; T165-L167 PolarHBondContact O-N 3.25Å; T165-L167 WeakPolarHBondContact OG1-CB 3.25Å; T165-L167 WeakPolarHBondContact OG1-CG 3.38Å; T165-L167 PolarHBondContact OG1-N 3.23Å
168	V	96.8	Very high	96.7	Very high	13 Å²	13	42.8 Å²	42.8	8%	0.079	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-105.7	8.3	-179.8	-55.8	0	0	0	0	113.4	L64 L140 A141 T165 P166 H170 L174	L64-V168 HydrophobicContact CD2-CG1 3.89Å; L140-V168 HydrophobicContact CB-CG1 4.23Å; L140-V168 HydrophobicContact CB-CG2 4.45Å; L140-V168 HydrophobicContact CD1-CG1 4.3Å; A141-V168 VanDerWaalsContact C-CG2 3.42Å; A141-V168 VanDerWaalsContact O-CG2 3.32Å; A141-V168 WeakPolarHBondContact O-CG2 3.39Å; T165-V168 HydrophobicContact CG2-CB 4.3Å; T165-V168 HydrophobicContact CG2-CG1 3.77Å; T165-V168 HydrophobicContact CG2-CG2 3.77Å; P166-V168 PolarHBondContact O-N 2.95Å; V168-H170 VanDerWaalsContact C-N 3.33Å; V168-H170 PolarHBondContact O-N 3.44Å; V168-L174 HydrophobicContact CB-CD1 4.09Å; V168-L174 HydrophobicContact CB-CD2 4.32Å; V168-L174 HydrophobicContact CB-CG 4.22Å; V168-L174 HydrophobicContact CG1-CD1 4.32Å; V168-L174 HydrophobicContact CG1-CD2 3.76Å; V168-L174 HydrophobicContact CG1-CG 4.21Å
169	C	96.3	Very high	96.6	Very high	57 Å²	57	43.5 Å²	43.5	39%	0.385	24%	0.242	S	C	.	.			trans	-75	-20.6	-177.3	-70.4	0	0	0	0	114.2	C142 P166	C142-C169 WeakPolarHBondContact CA-SG 3.3Å; C142-C169 HydrophobicContact CB-CB 3.94Å; C142-C169 WeakPolarHBondContact CB-SG 3.31Å; C142-C169 VanDerWaalsContact SG-CA 3.53Å; C142-C169 WeakPolarHBondContact SG-CB 3.34Å; C142-C169 CovalentContact SG-SG 2.04Å; C142-C169 PolarHBondContact SG-SG 3.39Å; P166-C169 PolarHBondContact O-N 3.41Å
170	H	95.9	Very high	96.5	Very high	118 Å²	118	43.4 Å²	43.4	55%	0.546	24%	0.242	S	C	.	.	S	Bend	trans	-78.4	134.5	177.2	-169.6	63.1	0	0	0	109.7	V168 H172 A173	V168-H170 VanDerWaalsContact C-N 3.33Å; V168-H170 PolarHBondContact O-N 3.44Å; H170-H172 AromaticContact NE2-CD2 3.54Å; H170-H172 PolarHBondContact O-N 3.02Å; H170-A173 HydrophobicContact CB-CB 4.27Å; H170-A173 WeakPolarHBondContact O-CB 3.31Å; H170-A173 PolarHBondContact O-N 2.81Å
171	P	92.9	Very high	96.4	Very high	100 Å²	100	45.8 Å²	45.8	65%	0.649	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-26.6	-176.8	20.5	-35.7	0	0	0	114.1
172	H	94.4	Very high	96.4	Very high	116 Å²	116	52 Å²	52	54%	0.537	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	2.6	-180	-54.1	-51.7	0	0	0	114.1	H170 L174 L175	H170-H172 AromaticContact NE2-CD2 3.54Å; H170-H172 PolarHBondContact O-N 3.02Å; H172-L174 VanDerWaalsContact C-N 3.3Å; H172-L174 PolarHBondContact O-N 3.15Å; H172-L175 HydrophobicContact CB-CD1 3.88Å; H172-L175 HydrophobicContact CB-CG 4.37Å; H172-L175 WeakPolarHBondContact ND1-CD1 3.38Å
173	A	95	Very high	96.3	Very high	12 Å²	12	53.9 Å²	53.9	10%	0.099	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-35.2	-176.8	0	0	0	0	0	112.3	H63 H170	H63-A173 PolarHBondContact CE1-O 2.87Å; H170-A173 HydrophobicContact CB-CB 4.27Å; H170-A173 WeakPolarHBondContact O-CB 3.31Å; H170-A173 PolarHBondContact O-N 2.81Å
174	L	96.2	Very high	96.3	Very high	35 Å²	35	55 Å²	55	18%	0.183	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	12.2	-174.3	-63	174.9	0	0	0	113.4	L64 T117 F118 L140 V168 H172	L64-L174 HydrophobicContact CD1-CD2 4.39Å; T117-L174 CarbonylContact C-O 3.51Å; T117-L174 WeakPolarHBondContact CA-O 3.32Å; F118-L174 HydrophobicContact CB-CB 4.35Å; F118-L174 HydrophobicContact CB-CD2 4.18Å; F118-L174 WeakPolarHBondContact CD2-O 3.02Å; F118-L174 PolarHBondContact N-O 3.33Å; L140-L174 HydrophobicContact CD1-CD2 4.16Å; V168-L174 HydrophobicContact CB-CD1 4.09Å; V168-L174 HydrophobicContact CB-CD2 4.32Å; V168-L174 HydrophobicContact CB-CG 4.22Å; V168-L174 HydrophobicContact CG1-CD1 4.32Å; V168-L174 HydrophobicContact CG1-CD2 3.76Å; V168-L174 HydrophobicContact CG1-CG 4.21Å; H172-L174 VanDerWaalsContact C-N 3.3Å; H172-L174 PolarHBondContact O-N 3.15Å
175	L	96.9	Very high	96.3	Very high	54 Å²	54	55.1 Å²	55.1	28%	0.283	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	-69.8	134.9	175.1	-65	-178	0	0	0	110.5	T117 H172 P178 T179	T117-L175 HydrophobicContact CG2-CD2 3.84Å; H172-L175 HydrophobicContact CB-CD1 3.88Å; H172-L175 HydrophobicContact CB-CG 4.37Å; H172-L175 WeakPolarHBondContact ND1-CD1 3.38Å; L175-P178 HydrophobicContact CB-CG 3.95Å; L175-P178 HydrophobicContact CD1-CG 4.34Å; L175-T179 WeakPolarHBondContact O-CG2 3.24Å
176	V	96.9	Very high	96.3	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	34%	0.341	C	S	.	.	S	Bend	trans	-78.2	-40.7	-178.7	179.4	0	0	0	0	111.9	I113 N116 F118 T179 L180 W188 F213 Y218	I113-V176 HydrophobicContact CD1-CG1 4.33Å; I113-V176 HydrophobicContact CD1-CG2 4.01Å; I113-V176 HydrophobicContact CG1-CG2 4.12Å; I113-V176 HydrophobicContact CG2-CG2 3.8Å; N116-V176 WeakPolarHBondContact O-CB 3.4Å; N116-V176 VanDerWaalsContact O-CG2 3.3Å; N116-V176 WeakPolarHBondContact O-CG2 3.44Å; N116-V176 PolarHBondContact O-N 3.29Å; F118-V176 HydrophobicContact CD1-CG2 4.31Å; F118-V176 HydrophobicContact CD2-CG2 3.87Å; F118-V176 HydrophobicContact CE1-CG2 4.17Å; F118-V176 HydrophobicContact CE2-CB 4.17Å; F118-V176 HydrophobicContact CE2-CG2 3.7Å; F118-V176 HydrophobicContact CG-CG2 4.18Å; F118-V176 HydrophobicContact CZ-CB 4.33Å; F118-V176 HydrophobicContact CZ-CG1 4.2Å; F118-V176 HydrophobicContact CZ-CG2 3.86Å; V176-T179 PolarHBondContact O-N 2.7Å; V176-T179 VanDerWaalsContact O-N 3.08Å; V176-T179 PolarHBondContact O-OG1 3.01Å; V176-L180 HydrophobicContact CG1-CD1 4.38Å; V176-L180 HydrophobicContact CG1-CG 4.42Å; V176-L180 PolarHBondContact O-N 3.44Å; V176-W188 HydrophobicContact CB-CZ3 4.47Å; V176-W188 HydrophobicContact CG1-CZ3 4.02Å; V176-F213 HydrophobicContact CG1-CD1 4.22Å; V176-F213 HydrophobicContact CG1-CE1 3.58Å; V176-F213 HydrophobicContact CG1-CZ 4.03Å; V176-Y218 HydrophobicContact CG1-CD2 4.14Å; V176-Y218 HydrophobicContact CG1-CE2 3.78Å
177	Y	96.8	Very high	96.3	Very high	86 Å²	86	65.2 Å²	65.2	34%	0.337	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-56	-48.9	-175.9	-179.1	-87.9	0	0	0	113.3	T179 L180 Q185 W188 D189	Y177-T179 PolarHBondContact O-N 3.48Å; Y177-L180 PolarHBondContact O-N 2.93Å; Y177-Q185 HydrophobicContact CE1-CG 4.45Å; Y177-Q185 HydrophobicContact CE2-CB 4.23Å; Y177-Q185 HydrophobicContact CE2-CG 4.37Å; Y177-Q185 PolarHBondContact O-NE2 2.95Å; Y177-W188 HydrophobicContact CD2-CB 4.38Å; Y177-W188 HydrophobicContact CD2-CD2 4.17Å; Y177-W188 HydrophobicContact CD2-CE3 4.45Å; Y177-W188 HydrophobicContact CD2-CG 4.07Å; Y177-W188 HydrophobicContact CE2-CB 4.29Å; Y177-W188 HydrophobicContact CE2-CG 4.31Å; Y177-D189 WeakPolarHBondContact CE2-OD1 3.39Å; Y177-D189 VanDerWaalsContact OH-CG 3.31Å; Y177-D189 PolarHBondContact OH-OD1 3.34Å; Y177-D189 PolarHBondContact OH-OD2 2.86Å
178	P	96	Very high	96.4	Very high	79 Å²	79	64 Å²	64	51%	0.513	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-68.8	-17.9	179.1	-19.8	34.6	0	0	0	114.4	L175	L175-P178 HydrophobicContact CB-CG 3.95Å; L175-P178 HydrophobicContact CD1-CG 4.34Å
179	T	95.2	Very high	96.5	Very high	37 Å²	37	66.8 Å²	66.8	23%	0.227	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-87.3	-14.4	179.7	61.7	0	0	0	0	113	P61 F118 L175 V176 Y177 Y218	P61-T179 HydrophobicContact CB-CG2 3.9Å; P61-T179 HydrophobicContact CG-CG2 4.07Å; F118-T179 HydrophobicContact CE2-CG2 4.06Å; F118-T179 VanDerWaalsContact CE2-OG1 3.31Å; F118-T179 WeakPolarHBondContact CE2-OG1 3.45Å; L175-T179 WeakPolarHBondContact O-CG2 3.24Å; V176-T179 PolarHBondContact O-N 2.7Å; V176-T179 VanDerWaalsContact O-N 3.08Å; V176-T179 PolarHBondContact O-OG1 3.01Å; Y177-T179 PolarHBondContact O-N 3.48Å; T179-Y218 VanDerWaalsContact C-OH 3.31Å; T179-Y218 PolarHBondContact O-OH 3.46Å; T179-Y218 VanDerWaalsContact O-OH 3.07Å; T179-Y218 PolarHBondContact OG1-OH 3.14Å; T179-Y218 VanDerWaalsContact OG1-OH 3.04Å
180	L	96.1	Very high	96.5	Very high	7 Å²	7	69.1 Å²	69.1	4%	0.037	35%	0.353	C	S	.	.	S	Bend	trans	-72.6	146.2	177.5	-71.9	167.2	0	0	0	111.4	V176 Y177 L184 Q185 W188 L212 A216 Y218	V176-L180 HydrophobicContact CG1-CD1 4.38Å; V176-L180 HydrophobicContact CG1-CG 4.42Å; V176-L180 PolarHBondContact O-N 3.44Å; Y177-L180 PolarHBondContact O-N 2.93Å; L180-L184 HydrophobicContact CB-CB 4.28Å; L180-L184 HydrophobicContact CD2-CB 4.18Å; L180-L184 HydrophobicContact CD2-CD1 4.07Å; L180-Q185 HydrophobicContact CB-CG 3.83Å; L180-Q185 PolarHBondContact O-NE2 3.41Å; L180-Q185 VanDerWaalsContact O-NE2 3.08Å; L180-W188 HydrophobicContact CD1-CE3 3.46Å; L180-W188 VanDerWaalsContact CD1-CE3 3.46Å; L180-W188 HydrophobicContact CD1-CZ3 3.87Å; L180-L212 HydrophobicContact CD1-CD2 3.62Å; L180-L212 HydrophobicContact CD2-CD2 3.77Å; L180-L212 HydrophobicContact CG-CD2 4.37Å; L180-A216 HydrophobicContact CD2-CB 3.58Å; L180-Y218 HydrophobicContact CD2-CD2 4.43Å; L180-Y218 HydrophobicContact CD2-CE2 3.56Å; L180-Y218 HydrophobicContact CG-CE2 4.2Å
181	P	95.8	Very high	96.6	Very high	76 Å²	76	64 Å²	64	49%	0.494	33%	0.329	S	S	.	.			trans	-59.4	151.3	167	-20.7	32	0	0	0	111.8	A183 L184 Q185	P181-A183 PolarHBondContact O-N 3.32Å; P181-A183 VanDerWaalsContact O-N 3.07Å; P181-L184 HydrophobicContact CG-CD1 4.49Å; P181-L184 PolarHBondContact O-N 3.1Å; P181-Q185 PolarHBondContact O-N 2.95Å
182	E	96.8	Very high	96.8	Very high	132 Å²	132	62.3 Å²	62.3	62%	0.617	31%	0.313	S	S	*	.	H	α-helix	trans	-52.1	-37.7	-177.8	-66.3	-176.2	-172.6	0	0	113.6	L184 Q185 R186	E182-L184 VanDerWaalsContact C-N 3.34Å; E182-L184 PolarHBondContact O-N 2.9Å; E182-Q185 PolarHBondContact O-N 2.79Å; E182-R186 WeakPolarHBondContact O-CG 3.36Å; E182-R186 PolarHBondContact O-N 2.99Å; E182-R186 IonicContact OE2-NH2 3.97Å
183	A	97	Very high	97	Very high	75 Å²	75	61.4 Å²	61.4	62%	0.62	31%	0.309	S	S	*	.	H	α-helix	trans	-63.4	-40.1	178.1	0	0	0	0	0	112.3	P181 R187	P181-A183 PolarHBondContact O-N 3.32Å; P181-A183 VanDerWaalsContact O-N 3.07Å; A183-R187 PolarHBondContact O-N 3.24Å
184	L	97.3	Very high	97.1	Very high	25 Å²	25	62.6 Å²	62.6	13%	0.131	31%	0.313	C	S	.	.	H	α-helix	trans	-77.2	-32.3	177.5	-64.3	-173.2	0	0	0	111.6	L180 P181 E182 R187 W188 L212 D215 A216	L180-L184 HydrophobicContact CB-CB 4.28Å; L180-L184 HydrophobicContact CD2-CB 4.18Å; L180-L184 HydrophobicContact CD2-CD1 4.07Å; P181-L184 HydrophobicContact CG-CD1 4.49Å; P181-L184 PolarHBondContact O-N 3.1Å; E182-L184 VanDerWaalsContact C-N 3.34Å; E182-L184 PolarHBondContact O-N 2.9Å; L184-R187 PolarHBondContact O-N 2.88Å; L184-W188 PolarHBondContact O-N 3.33Å; L184-L212 HydrophobicContact CB-CD2 4.32Å; L184-L212 HydrophobicContact CB-CG 4.43Å; L184-D215 HydrophobicContact CD2-CB 4.35Å; L184-A216 HydrophobicContact CD1-CB 3.68Å
185	Q	98.1	Very high	97.2	Very high	42 Å²	42	63.5 Å²	63.5	20%	0.196	32%	0.318	C	S	.	.	H	α-helix	trans	-59.6	-48.6	171.6	-71.5	177.3	-12.8	0	0	111.6	Y177 L180 P181 E182 R187 W188 D189	Y177-Q185 HydrophobicContact CE1-CG 4.45Å; Y177-Q185 HydrophobicContact CE2-CB 4.23Å; Y177-Q185 HydrophobicContact CE2-CG 4.37Å; Y177-Q185 PolarHBondContact O-NE2 2.95Å; L180-Q185 HydrophobicContact CB-CG 3.83Å; L180-Q185 PolarHBondContact O-NE2 3.41Å; L180-Q185 VanDerWaalsContact O-NE2 3.08Å; P181-Q185 PolarHBondContact O-N 2.95Å; E182-Q185 PolarHBondContact O-N 2.79Å; Q185-R187 VanDerWaalsContact C-N 3.25Å; Q185-R187 PolarHBondContact O-N 3.3Å; Q185-W188 WeakPolarHBondContact O-CA 3.27Å; Q185-W188 VanDerWaalsContact O-CB 3.3Å; Q185-W188 WeakPolarHBondContact O-CB 3.35Å; Q185-W188 PolarHBondContact O-N 3.07Å; Q185-D189 VanDerWaalsContact O-CG 3.26Å; Q185-D189 PolarHBondContact O-N 3.17Å
186	R	98.1	Very high	97.2	Very high	175 Å²	175	64.3 Å²	64.3	66%	0.66	33%	0.333	S	S	*	.	H	α-helix	trans	-59.9	-37.2	176.6	-68.4	176.1	-167.2	176.8	7.5	112.6	E182 D189 Q190	E182-R186 WeakPolarHBondContact O-CG 3.36Å; E182-R186 PolarHBondContact O-N 2.99Å; E182-R186 IonicContact OE2-NH2 3.97Å; R186-D189 PolarHBondContact O-N 2.86Å; R186-Q190 PolarHBondContact O-N 2.89Å; R186-Q190 VanDerWaalsContact O-N 3.09Å
187	R	98	Very high	97.3	Very high	96 Å²	96	68.7 Å²	68.7	36%	0.362	36%	0.356	S	S	.	.	H	α-helix	trans	-68.5	-38.2	175.8	-172.1	175.2	165.6	-161.1	-8.3	111.4	A183 L184 Q185 Q190 V191 T211 L212 D215	A183-R187 PolarHBondContact O-N 3.24Å; L184-R187 PolarHBondContact O-N 2.88Å; Q185-R187 VanDerWaalsContact C-N 3.25Å; Q185-R187 PolarHBondContact O-N 3.3Å; R187-Q190 PolarHBondContact O-N 2.82Å; R187-V191 VanDerWaalsContact O-CG2 3.31Å; R187-V191 WeakPolarHBondContact O-CG2 3.4Å; R187-V191 PolarHBondContact O-N 3.21Å; R187-V191 VanDerWaalsContact O-N 3.15Å; R187-T211 PolarHBondContact NH2-OG1 2.86Å; R187-L212 HydrophobicContact CB-CD1 4.32Å; R187-L212 HydrophobicContact CG-CD1 4.37Å; R187-D215 IonicContact CZ-OD2 3.68Å; R187-D215 IonicContact NH1-OD2 3.73Å; R187-D215 PolarHBondContact NH1-OD2 3.1Å; R187-D215 IonicContact NH2-OD2 2.8Å
188	W	97.9	Very high	97.3	Very high	9 Å²	9	73.5 Å²	73.5	3%	0.034	38%	0.379	C	S	.	.	H	α-helix	trans	-59.8	-51.1	170.9	-170.2	-52.4	0	0	0	110.4	N116 V176 Y177 L180 L184 Q185 Q190 V191 E192 L209 L212 F213	N116-W188 HydrophobicContact CB-CH2 3.96Å; N116-W188 HydrophobicContact CB-CZ2 4.27Å; N116-W188 WeakPolarHBondContact OD1-CH2 3.45Å; N116-W188 WeakPolarHBondContact OD1-CZ2 3.43Å; V176-W188 HydrophobicContact CB-CZ3 4.47Å; V176-W188 HydrophobicContact CG1-CZ3 4.02Å; Y177-W188 HydrophobicContact CD2-CB 4.38Å; Y177-W188 HydrophobicContact CD2-CD2 4.17Å; Y177-W188 HydrophobicContact CD2-CE3 4.45Å; Y177-W188 HydrophobicContact CD2-CG 4.07Å; Y177-W188 HydrophobicContact CE2-CB 4.29Å; Y177-W188 HydrophobicContact CE2-CG 4.31Å; L180-W188 HydrophobicContact CD1-CE3 3.46Å; L180-W188 VanDerWaalsContact CD1-CE3 3.46Å; L180-W188 HydrophobicContact CD1-CZ3 3.87Å; L184-W188 PolarHBondContact O-N 3.33Å; Q185-W188 WeakPolarHBondContact O-CA 3.27Å; Q185-W188 VanDerWaalsContact O-CB 3.3Å; Q185-W188 WeakPolarHBondContact O-CB 3.35Å; Q185-W188 PolarHBondContact O-N 3.07Å; W188-Q190 PolarHBondContact O-N 2.94Å; W188-V191 WeakPolarHBondContact O-CA 3.39Å; W188-V191 WeakPolarHBondContact O-CB 3.13Å; W188-V191 PolarHBondContact O-N 3.07Å; W188-E192 VanDerWaalsContact NE1-CG 3.3Å; W188-E192 PolarHBondContact NE1-OE1 3.39Å; W188-E192 PolarHBondContact O-N 2.78Å; W188-L209 HydrophobicContact CD2-CD2 3.65Å; W188-L209 HydrophobicContact CE3-CD2 4.01Å; W188-L209 HydrophobicContact CG-CD2 4.16Å; W188-L209 HydrophobicContact CH2-CD1 4.44Å; W188-L209 HydrophobicContact CH2-CD2 4.24Å; W188-L209 HydrophobicContact CZ2-CD1 3.96Å; W188-L209 HydrophobicContact CZ2-CD2 3.83Å; W188-L209 HydrophobicContact CZ3-CD2 4.36Å; W188-L212 HydrophobicContact CB-CD1 3.87Å; W188-L212 HydrophobicContact CE3-CD2 4.13Å; W188-F213 AromaticContact CE3-CE1 3.96Å; W188-F213 HydrophobicContact CE3-CE1 3.96Å; W188-F213 HydrophobicContact CE3-CZ 4.32Å; W188-F213 AromaticContact CH2-CE1 3.97Å; W188-F213 HydrophobicContact CH2-CE1 3.97Å; W188-F213 AromaticContact CH2-CZ 3.54Å; W188-F213 HydrophobicContact CH2-CZ 3.54Å; W188-F213 AromaticContact CZ3-CE1 3.28Å; W188-F213 HydrophobicContact CZ3-CE1 3.28Å; W188-F213 AromaticContact CZ3-CZ 3.38Å; W188-F213 HydrophobicContact CZ3-CZ 3.38Å
189	D	98.2	Very high	97.3	Very high	72 Å²	72	75.7 Å²	75.7	39%	0.385	39%	0.386	S	S	.	.	H	α-helix	trans	-55.3	-41.3	-178.8	-62	-28.1	0	0	0	111.5	Y177 Q185 R186 E192 Q193	Y177-D189 WeakPolarHBondContact CE2-OD1 3.39Å; Y177-D189 VanDerWaalsContact OH-CG 3.31Å; Y177-D189 PolarHBondContact OH-OD1 3.34Å; Y177-D189 PolarHBondContact OH-OD2 2.86Å; Q185-D189 VanDerWaalsContact O-CG 3.26Å; Q185-D189 PolarHBondContact O-N 3.17Å; R186-D189 PolarHBondContact O-N 2.86Å; D189-E192 PolarHBondContact O-N 2.87Å; D189-Q193 WeakPolarHBondContact O-CB 3.14Å; D189-Q193 PolarHBondContact O-N 2.04Å
190	Q	97.8	Very high	97.4	Very high	106 Å²	106	75.8 Å²	75.8	50%	0.495	39%	0.385	S	S	.	.	H	α-helix	trans	-62.5	-43.7	174.8	-173.2	63.5	46.3	0	0	112.2	R186 R187 W188 E192 Q193 D194	R186-Q190 PolarHBondContact O-N 2.89Å; R186-Q190 VanDerWaalsContact O-N 3.09Å; R187-Q190 PolarHBondContact O-N 2.82Å; W188-Q190 PolarHBondContact O-N 2.94Å; Q190-E192 VanDerWaalsContact C-N 3.33Å; Q190-E192 PolarHBondContact O-N 2.98Å; Q190-Q193 PolarHBondContact O-N 3.31Å; Q190-D194 PolarHBondContact NE2-OD1 2.91Å; Q190-D194 WeakPolarHBondContact O-CB 3.06Å; Q190-D194 PolarHBondContact O-N 3.13Å
191	V	97.6	Very high	97.4	Very high	9 Å²	9	79.9 Å²	79.9	6%	0.055	41%	0.41	C	S	.	.	H	α-helix	trans	-63.9	-38.9	179	170.6	0	0	0	0	111.4	R187 W188 L195 I200 L208	R187-V191 VanDerWaalsContact O-CG2 3.31Å; R187-V191 WeakPolarHBondContact O-CG2 3.4Å; R187-V191 PolarHBondContact O-N 3.21Å; R187-V191 VanDerWaalsContact O-N 3.15Å; W188-V191 WeakPolarHBondContact O-CA 3.39Å; W188-V191 WeakPolarHBondContact O-CB 3.13Å; W188-V191 PolarHBondContact O-N 3.07Å; V191-L195 PolarHBondContact O-N 2.79Å; V191-I200 HydrophobicContact CG1-CD1 4.05Å; V191-L208 HydrophobicContact CG1-CB 4.04Å; V191-L208 HydrophobicContact CG1-CD1 4.25Å; V191-L208 HydrophobicContact CG2-CB 4.02Å; V191-L208 HydrophobicContact CG2-CD1 4.12Å
192	E	97.4	Very high	97.4	Very high	66 Å²	66	79.4 Å²	79.4	31%	0.308	41%	0.412	S	S	.	.	H	α-helix	trans	-66.8	-42.1	174.4	-66.5	-64.5	153.9	0	0	111.7	W188 D189 Q190 L195 A196 H205	W188-E192 VanDerWaalsContact NE1-CG 3.3Å; W188-E192 PolarHBondContact NE1-OE1 3.39Å; W188-E192 PolarHBondContact O-N 2.78Å; D189-E192 PolarHBondContact O-N 2.87Å; Q190-E192 VanDerWaalsContact C-N 3.33Å; Q190-E192 PolarHBondContact O-N 2.98Å; E192-L195 PolarHBondContact O-N 2.81Å; E192-A196 WeakPolarHBondContact O-CB 3.49Å; E192-A196 PolarHBondContact O-N 2.79Å; E192-H205 IonicContact OE1-CD2 3.06Å; E192-H205 IonicContact OE1-CE1 2.74Å; E192-H205 IonicContact OE1-NE2 2.66Å; E192-H205 PolarHBondContact OE1-NE2 2.85Å; E192-H205 IonicContact OE2-NE2 2.71Å
193	Q	98.1	Very high	97.4	Very high	97 Å²	97	80.5 Å²	80.5	45%	0.453	42%	0.417	S	S	.	.	H	α-helix	trans	-62	-46.2	175.7	-175.6	61.7	35.9	0	0	111.2	D189 Q190 L195 A196 D197	D189-Q193 WeakPolarHBondContact O-CB 3.14Å; D189-Q193 PolarHBondContact O-N 2.04Å; Q190-Q193 PolarHBondContact O-N 3.31Å; Q193-L195 VanDerWaalsContact C-N 3.26Å; Q193-L195 PolarHBondContact O-N 3Å; Q193-A196 WeakPolarHBondContact O-CB 3.49Å; Q193-A196 PolarHBondContact O-N 2.75Å; Q193-A196 VanDerWaalsContact O-N 3.12Å; Q193-D197 VanDerWaalsContact NE2-CG 3.29Å; Q193-D197 PolarHBondContact NE2-OD1 2.9Å; Q193-D197 PolarHBondContact NE2-OD2 3.17Å; Q193-D197 WeakPolarHBondContact O-CB 3.47Å; Q193-D197 PolarHBondContact O-N 3.42Å
194	D	97.8	Very high	97.3	Very high	36 Å²	36	78 Å²	78	19%	0.193	40%	0.399	C	S	.	.	H	α-helix	trans	-61.7	-35.7	178.1	-68.7	-15.8	0	0	0	111.7	Q190 K198 L199 I200	Q190-D194 PolarHBondContact NE2-OD1 2.91Å; Q190-D194 WeakPolarHBondContact O-CB 3.06Å; Q190-D194 PolarHBondContact O-N 3.13Å; D194-K198 PolarHBondContact O-N 3.32Å; D194-L199 HydrophobicContact CB-CB 4.33Å; D194-L199 WeakPolarHBondContact O-CB 3.39Å; D194-L199 PolarHBondContact O-N 2.93Å; D194-I200 HydrophobicContact CB-CD1 4.14Å; D194-I200 HydrophobicContact CB-CG1 4.15Å; D194-I200 HydrophobicContact CB-CG2 4.29Å; D194-I200 PolarHBondContact O-N 3.14Å
195	L	97.4	Very high	97.3	Very high	55 Å²	55	78 Å²	78	29%	0.288	40%	0.398	S	S	.	.	H	α-helix	trans	-68	-44.7	173.7	-178.6	66.3	0	0	0	111.2	V191 E192 Q193 D197 K198 I200 H205	V191-L195 PolarHBondContact O-N 2.79Å; E192-L195 PolarHBondContact O-N 2.81Å; Q193-L195 VanDerWaalsContact C-N 3.26Å; Q193-L195 PolarHBondContact O-N 3Å; L195-D197 VanDerWaalsContact C-N 3.31Å; L195-D197 PolarHBondContact O-N 3.09Å; L195-K198 WeakPolarHBondContact O-CA 3.44Å; L195-K198 PolarHBondContact O-N 2.83Å; L195-I200 HydrophobicContact CB-CD1 4.12Å; L195-I200 HydrophobicContact CB-CG1 4.01Å; L195-I200 HydrophobicContact CD1-CG1 4.24Å; L195-H205 HydrophobicContact CD1-CB 4.24Å; L195-H205 HydrophobicContact CD2-CB 4.24Å
196	A	97.4	Very high	97.1	Very high	71 Å²	71	82.4 Å²	82.4	59%	0.587	42%	0.419	S	S	*	.	H	α-helix	trans	-62.1	-39.8	178	0	0	0	0	0	111.9	E192 Q193 K198	E192-A196 WeakPolarHBondContact O-CB 3.49Å; E192-A196 PolarHBondContact O-N 2.79Å; Q193-A196 WeakPolarHBondContact O-CB 3.49Å; Q193-A196 PolarHBondContact O-N 2.75Å; Q193-A196 VanDerWaalsContact O-N 3.12Å; A196-K198 PolarHBondContact O-N 2.85Å
197	D	97.9	Very high	97	Very high	92 Å²	92	81.3 Å²	81.3	49%	0.492	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-0.9	175.5	-67.1	-24.2	0	0	0	112.8	Q193 L195 L199	Q193-D197 VanDerWaalsContact NE2-CG 3.29Å; Q193-D197 PolarHBondContact NE2-OD1 2.9Å; Q193-D197 PolarHBondContact NE2-OD2 3.17Å; Q193-D197 WeakPolarHBondContact O-CB 3.47Å; Q193-D197 PolarHBondContact O-N 3.42Å; L195-D197 VanDerWaalsContact C-N 3.31Å; L195-D197 PolarHBondContact O-N 3.09Å; D197-L199 HydrophobicContact CB-CD1 4.23Å; D197-L199 HydrophobicContact CB-CG 3.95Å; D197-L199 PolarHBondContact O-N 3.26Å
198	K	96.7	Very high	96.9	Very high	186 Å²	186	79.5 Å²	79.5	81%	0.809	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	28.5	180	-53	176.3	-176.1	173.5	0	113.5	D194 L195 A196 I200	D194-K198 PolarHBondContact O-N 3.32Å; L195-K198 WeakPolarHBondContact O-CA 3.44Å; L195-K198 PolarHBondContact O-N 2.83Å; A196-K198 PolarHBondContact O-N 2.85Å; K198-I200 VanDerWaalsContact C-N 3.33Å
199	L	96.8	Very high	96.8	Very high	126 Å²	126	79.6 Å²	79.6	66%	0.66	42%	0.417	S	S	*	.	S	Bend	trans	-77	-25.5	174	-58.8	-179.6	0	0	0	111.5	D194 D197	D194-L199 HydrophobicContact CB-CB 4.33Å; D194-L199 WeakPolarHBondContact O-CB 3.39Å; D194-L199 PolarHBondContact O-N 2.93Å; D197-L199 HydrophobicContact CB-CD1 4.23Å; D197-L199 HydrophobicContact CB-CG 3.95Å; D197-L199 PolarHBondContact O-N 3.26Å
200	I	96.9	Very high	96.7	Very high	39 Å²	39	82.6 Å²	82.6	20%	0.2	42%	0.423	C	S	.	.	S	Bend	trans	-122.8	155.5	176.3	63.9	174.5	0	0	0	111.7	V191 D194 L195 K198 H205 L208	V191-I200 HydrophobicContact CG1-CD1 4.05Å; D194-I200 HydrophobicContact CB-CD1 4.14Å; D194-I200 HydrophobicContact CB-CG1 4.15Å; D194-I200 HydrophobicContact CB-CG2 4.29Å; D194-I200 PolarHBondContact O-N 3.14Å; L195-I200 HydrophobicContact CB-CD1 4.12Å; L195-I200 HydrophobicContact CB-CG1 4.01Å; L195-I200 HydrophobicContact CD1-CG1 4.24Å; K198-I200 VanDerWaalsContact C-N 3.33Å; I200-H205 HydrophobicContact CD1-CB 3.92Å; I200-L208 HydrophobicContact CD1-CD1 3.95Å; I200-L208 HydrophobicContact CG2-CD1 4.46Å
201	T	97.2	Very high	96.6	Very high	93 Å²	93	79.4 Å²	79.4	57%	0.571	41%	0.411	S	S	*	.			trans	-84.7	163.6	172.6	63.7	0	0	0	0	110.8	Q203 G204 H205	T201-Q203 VanDerWaalsContact C-N 3.26Å; T201-Q203 PolarHBondContact O-N 2.77Å; T201-G204 WeakPolarHBondContact O-CA 3.34Å; T201-G204 PolarHBondContact O-N 3.19Å; T201-G204 PolarHBondContact OG1-N 3.32Å; T201-H205 PolarHBondContact O-N 2.62Å
202	A	95.6	Very high	96.5	Very high	65 Å²	65	79 Å²	79	54%	0.537	41%	0.408	S	S	.	.	H	α-helix	trans	-55.9	-40.1	174.1	0	0	0	0	0	112.6	G204 H205 E206	A202-G204 VanDerWaalsContact C-N 3.33Å; A202-G204 PolarHBondContact O-N 2.9Å; A202-H205 WeakPolarHBondContact O-CB 3.39Å; A202-H205 PolarHBondContact O-N 3.25Å; A202-E206 WeakPolarHBondContact O-CG 3.44Å; A202-E206 PolarHBondContact O-N 3.14Å
203	Q	95.9	Very high	96.5	Very high	156 Å²	156	76.4 Å²	76.4	73%	0.729	40%	0.396	S	S	*	.	H	α-helix	trans	-64.7	-37.5	174.2	-67.5	179.2	-15.3	0	0	112.3	T201 K207	T201-Q203 VanDerWaalsContact C-N 3.26Å; T201-Q203 PolarHBondContact O-N 2.77Å; Q203-K207 WeakPolarHBondContact O-CB 3.28Å; Q203-K207 PolarHBondContact O-N 2.91Å
204	G	95.6	Very high	96.3	Very high	22 Å²	22	74.2 Å²	74.2	23%	0.227	39%	0.386	C	S	.	.	H	α-helix	trans	-64	-43.5	174.7	0	0	0	0	0	111.9	T201 A202 K207 L208	T201-G204 WeakPolarHBondContact O-CA 3.34Å; T201-G204 PolarHBondContact O-N 3.19Å; T201-G204 PolarHBondContact OG1-N 3.32Å; A202-G204 VanDerWaalsContact C-N 3.33Å; A202-G204 PolarHBondContact O-N 2.9Å; G204-K207 PolarHBondContact O-N 3.04Å; G204-L208 WeakPolarHBondContact O-CB 3.34Å; G204-L208 VanDerWaalsContact O-CG 3.26Å; G204-L208 WeakPolarHBondContact O-CG 3.41Å; G204-L208 PolarHBondContact O-N 2.87Å
205	H	96.3	Very high	96.2	Very high	25 Å²	25	77.4 Å²	77.4	12%	0.116	40%	0.403	C	S	.	.	H	α-helix	trans	-58.5	-51.2	174.5	171.4	-90	0	0	0	111.8	E192 L195 I200 T201 A202 K207 L208 L209	E192-H205 IonicContact OE1-CD2 3.06Å; E192-H205 IonicContact OE1-CE1 2.74Å; E192-H205 IonicContact OE1-NE2 2.66Å; E192-H205 PolarHBondContact OE1-NE2 2.85Å; E192-H205 IonicContact OE2-NE2 2.71Å; L195-H205 HydrophobicContact CD1-CB 4.24Å; L195-H205 HydrophobicContact CD2-CB 4.24Å; I200-H205 HydrophobicContact CD1-CB 3.92Å; T201-H205 PolarHBondContact O-N 2.62Å; A202-H205 WeakPolarHBondContact O-CB 3.39Å; A202-H205 PolarHBondContact O-N 3.25Å; H205-K207 VanDerWaalsContact C-N 3.31Å; H205-K207 PolarHBondContact O-N 2.96Å; H205-L208 PolarHBondContact O-N 3.43Å; H205-L208 VanDerWaalsContact O-N 3.14Å; H205-L209 WeakPolarHBondContact CE1-CD1 3.43Å; H205-L209 PolarHBondContact O-N 2.92Å
206	E	95.2	Very high	96.1	Very high	135 Å²	135	75.7 Å²	75.7	63%	0.631	40%	0.397	S	S	*	.	H	α-helix	trans	-58.2	-42.3	177.4	-72.9	175.9	-176.7	0	0	112.3	A202 L209 R210	A202-E206 WeakPolarHBondContact O-CG 3.44Å; A202-E206 PolarHBondContact O-N 3.14Å; E206-L209 PolarHBondContact O-N 3.17Å; E206-R210 WeakPolarHBondContact O-CB 3.35Å; E206-R210 PolarHBondContact O-N 2.86Å
207	K	95.6	Very high	96	Very high	151 Å²	151	74.2 Å²	74.2	66%	0.657	39%	0.389	S	S	*	.	H	α-helix	trans	-64.2	-43.6	177.1	-174	179.1	178.2	-178.3	0	111.6	Q203 G204 H205 R210 T211	Q203-K207 WeakPolarHBondContact O-CB 3.28Å; Q203-K207 PolarHBondContact O-N 2.91Å; G204-K207 PolarHBondContact O-N 3.04Å; H205-K207 VanDerWaalsContact C-N 3.31Å; H205-K207 PolarHBondContact O-N 2.96Å; K207-R210 WeakPolarHBondContact O-CB 3.05Å; K207-R210 PolarHBondContact O-N 2.67Å; K207-T211 WeakPolarHBondContact O-CG2 3.35Å; K207-T211 PolarHBondContact O-N 2.78Å
208	L	96.4	Very high	95.8	Very high	58 Å²	58	70.2 Å²	70.2	30%	0.304	37%	0.366	S	S	.	.	H	α-helix	trans	-65.1	-44.2	178.5	-72.3	167.3	0	0	0	111.3	V191 I200 G204 H205 R210 T211 L212	V191-L208 HydrophobicContact CG1-CB 4.04Å; V191-L208 HydrophobicContact CG1-CD1 4.25Å; V191-L208 HydrophobicContact CG2-CB 4.02Å; V191-L208 HydrophobicContact CG2-CD1 4.12Å; I200-L208 HydrophobicContact CD1-CD1 3.95Å; I200-L208 HydrophobicContact CG2-CD1 4.46Å; G204-L208 WeakPolarHBondContact O-CB 3.34Å; G204-L208 VanDerWaalsContact O-CG 3.26Å; G204-L208 WeakPolarHBondContact O-CG 3.41Å; G204-L208 PolarHBondContact O-N 2.87Å; H205-L208 PolarHBondContact O-N 3.43Å; H205-L208 VanDerWaalsContact O-N 3.14Å; L208-R210 VanDerWaalsContact C-N 3.31Å; L208-R210 PolarHBondContact O-N 3.39Å; L208-T211 PolarHBondContact O-N 3.35Å; L208-T211 PolarHBondContact O-OG1 3.17Å; L208-L212 WeakPolarHBondContact O-CB 3.5Å; L208-L212 PolarHBondContact O-N 2.01Å
209	L	95.8	Very high	95.8	Very high	12 Å²	12	63.5 Å²	63.5	6%	0.063	34%	0.338	C	S	.	.	H	α-helix	trans	-61	-40.9	174.2	-72.9	-171.2	0	0	0	112.1	W188 H205 E206 T211 L212 F213	W188-L209 HydrophobicContact CD2-CD2 3.65Å; W188-L209 HydrophobicContact CE3-CD2 4.01Å; W188-L209 HydrophobicContact CG-CD2 4.16Å; W188-L209 HydrophobicContact CH2-CD1 4.44Å; W188-L209 HydrophobicContact CH2-CD2 4.24Å; W188-L209 HydrophobicContact CZ2-CD1 3.96Å; W188-L209 HydrophobicContact CZ2-CD2 3.83Å; W188-L209 HydrophobicContact CZ3-CD2 4.36Å; H205-L209 WeakPolarHBondContact CE1-CD1 3.43Å; H205-L209 PolarHBondContact O-N 2.92Å; E206-L209 PolarHBondContact O-N 3.17Å; L209-T211 PolarHBondContact O-N 3.5Å; L209-L212 WeakPolarHBondContact O-CB 3.32Å; L209-L212 PolarHBondContact O-N 3.17Å; L209-L212 VanDerWaalsContact O-N 3.17Å; L209-F213 HydrophobicContact CB-CE2 4.35Å; L209-F213 HydrophobicContact CB-CZ 4.48Å; L209-F213 WeakPolarHBondContact O-CD2 3.39Å; L209-F213 VanDerWaalsContact O-CG 3.3Å; L209-F213 WeakPolarHBondContact O-CG 3.48Å; L209-F213 PolarHBondContact O-N 3.13Å
210	R	95	Very high	95.4	Very high	134 Å²	134	59.6 Å²	59.6	51%	0.506	32%	0.315	S	S	.	.	H	α-helix	trans	-58.2	-48.4	174.3	-178.7	177.8	175.6	154.9	5.5	111.8	E206 K207 L208 L212 F213 E214 F219	E206-R210 WeakPolarHBondContact O-CB 3.35Å; E206-R210 PolarHBondContact O-N 2.86Å; K207-R210 WeakPolarHBondContact O-CB 3.05Å; K207-R210 PolarHBondContact O-N 2.67Å; L208-R210 VanDerWaalsContact C-N 3.31Å; L208-R210 PolarHBondContact O-N 3.39Å; R210-L212 VanDerWaalsContact C-N 3.25Å; R210-L212 PolarHBondContact O-N 3.2Å; R210-F213 PolarHBondContact O-N 3.36Å; R210-F213 VanDerWaalsContact O-N 3.14Å; R210-E214 WeakPolarHBondContact CG-OE1 3.37Å; R210-E214 IonicContact CZ-OE1 3.39Å; R210-E214 IonicContact NE-OE1 3.14Å; R210-E214 PolarHBondContact NE-OE1 2.85Å; R210-E214 IonicContact NH2-OE1 2.77Å; R210-E214 WeakPolarHBondContact O-CG 2.95Å; R210-E214 PolarHBondContact O-N 2.81Å; R210-F219 HydrophobicContact CG-CD2 4.17Å; R210-F219 HydrophobicContact CG-CE2 4.45Å
211	T	95.9	Very high	94.6	Very high	40 Å²	40	60.6 Å²	60.6	25%	0.245	33%	0.329	C	S	.	.	H	α-helix	trans	-61.3	-36.4	176.9	62.5	0	0	0	0	112.1	R187 K207 L208 L209 F213 E214 D215	R187-T211 PolarHBondContact NH2-OG1 2.86Å; K207-T211 WeakPolarHBondContact O-CG2 3.35Å; K207-T211 PolarHBondContact O-N 2.78Å; L208-T211 PolarHBondContact O-N 3.35Å; L208-T211 PolarHBondContact O-OG1 3.17Å; L209-T211 PolarHBondContact O-N 3.5Å; T211-F213 VanDerWaalsContact C-N 3.34Å; T211-F213 PolarHBondContact O-N 3.41Å; T211-E214 PolarHBondContact O-N 2.92Å; T211-D215 VanDerWaalsContact O-CG 3.25Å; T211-D215 PolarHBondContact O-N 2.89Å
212	L	96.5	Very high	93.5	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-64.6	-38.9	176.5	-172.2	156.2	0	0	0	111.6	L180 L184 R187 W188 L208 L209 R210 D215 A216	L180-L212 HydrophobicContact CD1-CD2 3.62Å; L180-L212 HydrophobicContact CD2-CD2 3.77Å; L180-L212 HydrophobicContact CG-CD2 4.37Å; L184-L212 HydrophobicContact CB-CD2 4.32Å; L184-L212 HydrophobicContact CB-CG 4.43Å; R187-L212 HydrophobicContact CB-CD1 4.32Å; R187-L212 HydrophobicContact CG-CD1 4.37Å; W188-L212 HydrophobicContact CB-CD1 3.87Å; W188-L212 HydrophobicContact CE3-CD2 4.13Å; L208-L212 WeakPolarHBondContact O-CB 3.5Å; L208-L212 PolarHBondContact O-N 2.01Å; L209-L212 WeakPolarHBondContact O-CB 3.32Å; L209-L212 PolarHBondContact O-N 3.17Å; L209-L212 VanDerWaalsContact O-N 3.17Å; R210-L212 VanDerWaalsContact C-N 3.25Å; R210-L212 PolarHBondContact O-N 3.2Å; L212-D215 PolarHBondContact O-N 3.3Å; L212-A216 WeakPolarHBondContact O-CB 3.34Å; L212-A216 PolarHBondContact O-N 3.25Å
213	F	95.9	Very high	91.8	Very high	11 Å²	11	62.1 Å²	62.1	5%	0.048	33%	0.326	C	S	.	.	H	α-helix	trans	-72.9	-32.1	176	-62.6	-22.3	0	0	0	113.6	I113 V176 W188 L209 R210 T211 A216 G217 Y218 F219	I113-F213 HydrophobicContact CD1-CD1 4.41Å; I113-F213 HydrophobicContact CD1-CD2 3.93Å; I113-F213 HydrophobicContact CD1-CE2 4.15Å; I113-F213 HydrophobicContact CD1-CG 4.07Å; I113-F213 HydrophobicContact CG2-CE2 4.11Å; V176-F213 HydrophobicContact CG1-CD1 4.22Å; V176-F213 HydrophobicContact CG1-CE1 3.58Å; V176-F213 HydrophobicContact CG1-CZ 4.03Å; W188-F213 AromaticContact CE3-CE1 3.96Å; W188-F213 HydrophobicContact CE3-CE1 3.96Å; W188-F213 HydrophobicContact CE3-CZ 4.32Å; W188-F213 AromaticContact CH2-CE1 3.97Å; W188-F213 HydrophobicContact CH2-CE1 3.97Å; W188-F213 AromaticContact CH2-CZ 3.54Å; W188-F213 HydrophobicContact CH2-CZ 3.54Å; W188-F213 AromaticContact CZ3-CE1 3.28Å; W188-F213 HydrophobicContact CZ3-CE1 3.28Å; W188-F213 AromaticContact CZ3-CZ 3.38Å; W188-F213 HydrophobicContact CZ3-CZ 3.38Å; L209-F213 HydrophobicContact CB-CE2 4.35Å; L209-F213 HydrophobicContact CB-CZ 4.48Å; L209-F213 WeakPolarHBondContact O-CD2 3.39Å; L209-F213 VanDerWaalsContact O-CG 3.3Å; L209-F213 WeakPolarHBondContact O-CG 3.48Å; L209-F213 PolarHBondContact O-N 3.13Å; R210-F213 PolarHBondContact O-N 3.36Å; R210-F213 VanDerWaalsContact O-N 3.14Å; T211-F213 VanDerWaalsContact C-N 3.34Å; T211-F213 PolarHBondContact O-N 3.41Å; F213-A216 PolarHBondContact O-N 2.79Å; F213-G217 PolarHBondContact O-N 3.33Å; F213-Y218 HydrophobicContact CD1-CD2 4.11Å; F213-Y218 PolarHBondContact O-N 3.14Å; F213-F219 HydrophobicContact CB-CD2 3.63Å; F213-F219 HydrophobicContact CB-CE2 3.88Å; F213-F219 HydrophobicContact CB-CG 4.05Å; F213-F219 HydrophobicContact CB-CZ 4.44Å; F213-F219 HydrophobicContact CD2-CD2 4.22Å; F213-F219 AromaticContact CD2-CE2 3.56Å; F213-F219 HydrophobicContact CD2-CE2 3.56Å; F213-F219 AromaticContact CD2-CZ 3.83Å; F213-F219 HydrophobicContact CD2-CZ 3.83Å; F213-F219 HydrophobicContact CG-CD2 4.45Å; F213-F219 HydrophobicContact CG-CE2 4.21Å; F213-F219 PolarHBondContact O-N 2.83Å
214	E	95.3	Very high	89.2	Confident	51 Å²	51	63.6 Å²	63.6	24%	0.238	33%	0.333	C	S	.	.	H	α-helix	trans	-64.2	-46.3	169.6	-69.8	166.7	-177.2	0	0	110.1	R210 T211 A216 G217 F219	R210-E214 WeakPolarHBondContact CG-OE1 3.37Å; R210-E214 IonicContact CZ-OE1 3.39Å; R210-E214 IonicContact NE-OE1 3.14Å; R210-E214 PolarHBondContact NE-OE1 2.85Å; R210-E214 IonicContact NH2-OE1 2.77Å; R210-E214 WeakPolarHBondContact O-CG 2.95Å; R210-E214 PolarHBondContact O-N 2.81Å; T211-E214 PolarHBondContact O-N 2.92Å; E214-A216 VanDerWaalsContact C-N 3.29Å; E214-A216 PolarHBondContact O-N 3.26Å; E214-G217 WeakPolarHBondContact O-CA 3.35Å; E214-G217 PolarHBondContact O-N 3.14Å; E214-F219 HydrophobicContact CG-CB 3.85Å
215	D	95.3	Very high	86.4	Confident	103 Å²	103	69.5 Å²	69.5	55%	0.551	36%	0.36	S	S	*	.	H	α-helix	trans	-63.6	-32.5	176.2	-69.2	-22.3	0	0	0	112.7	L184 R187 T211 L212 G217	L184-D215 HydrophobicContact CD2-CB 4.35Å; R187-D215 IonicContact CZ-OD2 3.68Å; R187-D215 IonicContact NH1-OD2 3.73Å; R187-D215 PolarHBondContact NH1-OD2 3.1Å; R187-D215 IonicContact NH2-OD2 2.8Å; T211-D215 VanDerWaalsContact O-CG 3.25Å; T211-D215 PolarHBondContact O-N 2.89Å; L212-D215 PolarHBondContact O-N 3.3Å; D215-G217 PolarHBondContact O-N 2.99Å
216	A	95.3	Very high	83.3	Confident	20 Å²	20	74.9 Å²	74.9	17%	0.165	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-8.9	173	0	0	0	0	0	113.4	L180 L184 L212 F213 E214 Y218	L180-A216 HydrophobicContact CD2-CB 3.58Å; L184-A216 HydrophobicContact CD1-CB 3.68Å; L212-A216 WeakPolarHBondContact O-CB 3.34Å; L212-A216 PolarHBondContact O-N 3.25Å; F213-A216 PolarHBondContact O-N 2.79Å; E214-A216 VanDerWaalsContact C-N 3.29Å; E214-A216 PolarHBondContact O-N 3.26Å; A216-Y218 VanDerWaalsContact C-N 3.27Å; A216-Y218 HydrophobicContact CB-CD1 4.12Å; A216-Y218 HydrophobicContact CB-CD2 3.85Å; A216-Y218 HydrophobicContact CB-CE1 4.09Å; A216-Y218 HydrophobicContact CB-CE2 3.84Å; A216-Y218 HydrophobicContact CB-CG 3.99Å; A216-Y218 PolarHBondContact O-N 3.46Å
217	G	94.1	Very high	80.4	Confident	40 Å²	40	73.4 Å²	73.4	41%	0.412	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.4	20.3	-174.4	0	0	0	0	0	113.7	S59 F213 E214 D215	S59-G217 WeakPolarHBondContact CB-O 3.39Å; S59-G217 PolarHBondContact OG-O 2.99Å; F213-G217 PolarHBondContact O-N 3.33Å; E214-G217 WeakPolarHBondContact O-CA 3.35Å; E214-G217 PolarHBondContact O-N 3.14Å; D215-G217 PolarHBondContact O-N 2.99Å
218	Y	95.3	Very high	77.2	Confident	7 Å²	7	71.5 Å²	71.5	3%	0.027	39%	0.388	C	S	.	.	S	Bend	trans	-82.3	-36.2	176.4	-60.3	-17.6	0	0	0	111.8	E110 W111 I113 F118 V176 T179 L180 F213 A216	E110-Y218 WeakPolarHBondContact CB-O 3.26Å; W111-Y218 PolarHBondContact N-O 3.2Å; I113-Y218 HydrophobicContact CD1-CD2 3.99Å; I113-Y218 HydrophobicContact CD1-CG 4.46Å; F118-Y218 HydrophobicContact CE1-CD1 4.39Å; F118-Y218 AromaticContact CE1-CD2 3.94Å; F118-Y218 HydrophobicContact CE1-CD2 3.94Å; F118-Y218 HydrophobicContact CE1-CE2 4.15Å; F118-Y218 HydrophobicContact CE1-CG 4.07Å; F118-Y218 AromaticContact CZ-CD2 3.93Å; F118-Y218 HydrophobicContact CZ-CD2 3.93Å; F118-Y218 HydrophobicContact CZ-CE1 4.28Å; F118-Y218 AromaticContact CZ-CE2 3.65Å; F118-Y218 HydrophobicContact CZ-CE2 3.65Å; F118-Y218 HydrophobicContact CZ-CG 4.36Å; F118-Y218 AromaticContact CZ-CZ 3.83Å; V176-Y218 HydrophobicContact CG1-CD2 4.14Å; V176-Y218 HydrophobicContact CG1-CE2 3.78Å; T179-Y218 VanDerWaalsContact C-OH 3.31Å; T179-Y218 PolarHBondContact O-OH 3.46Å; T179-Y218 VanDerWaalsContact O-OH 3.07Å; T179-Y218 PolarHBondContact OG1-OH 3.14Å; T179-Y218 VanDerWaalsContact OG1-OH 3.04Å; L180-Y218 HydrophobicContact CD2-CD2 4.43Å; L180-Y218 HydrophobicContact CD2-CE2 3.56Å; L180-Y218 HydrophobicContact CG-CE2 4.2Å; F213-Y218 HydrophobicContact CD1-CD2 4.11Å; F213-Y218 PolarHBondContact O-N 3.14Å; A216-Y218 VanDerWaalsContact C-N 3.27Å; A216-Y218 HydrophobicContact CB-CD1 4.12Å; A216-Y218 HydrophobicContact CB-CD2 3.85Å; A216-Y218 HydrophobicContact CB-CE1 4.09Å; A216-Y218 HydrophobicContact CB-CE2 3.84Å; A216-Y218 HydrophobicContact CB-CG 3.99Å; A216-Y218 PolarHBondContact O-N 3.46Å
219	F	94.9	Very high	74.4	Confident	46 Å²	46	78.4 Å²	78.4	20%	0.202	42%	0.419	C	S	.	.	S	Bend	trans	-107.2	146.4	172.2	-65.1	-18.6	0	0	0	110.3	W111 I113 R210 F213 E214	W111-F219 WeakPolarHBondContact O-CD1 3.45Å; W111-F219 VanDerWaalsContact O-CE1 3.25Å; W111-F219 WeakPolarHBondContact O-CE1 3.14Å; I113-F219 HydrophobicContact CB-CE1 4.24Å; I113-F219 HydrophobicContact CB-CZ 4.08Å; I113-F219 HydrophobicContact CD1-CE1 3.93Å; I113-F219 HydrophobicContact CD1-CZ 4.11Å; I113-F219 HydrophobicContact CG1-CE1 4.08Å; I113-F219 HydrophobicContact CG1-CZ 4.34Å; R210-F219 HydrophobicContact CG-CD2 4.17Å; R210-F219 HydrophobicContact CG-CE2 4.45Å; F213-F219 HydrophobicContact CB-CD2 3.63Å; F213-F219 HydrophobicContact CB-CE2 3.88Å; F213-F219 HydrophobicContact CB-CG 4.05Å; F213-F219 HydrophobicContact CB-CZ 4.44Å; F213-F219 HydrophobicContact CD2-CD2 4.22Å; F213-F219 AromaticContact CD2-CE2 3.56Å; F213-F219 HydrophobicContact CD2-CE2 3.56Å; F213-F219 AromaticContact CD2-CZ 3.83Å; F213-F219 HydrophobicContact CD2-CZ 3.83Å; F213-F219 HydrophobicContact CG-CD2 4.45Å; F213-F219 HydrophobicContact CG-CE2 4.21Å; F213-F219 PolarHBondContact O-N 2.83Å; E214-F219 HydrophobicContact CG-CB 3.85Å
220	K	89.3	Confident	71.5	Confident	43 Å²	43	84.7 Å²	84.7	19%	0.187	45%	0.452	C	S	.	.			trans	-80.7	133.5	169.2	-160.2	-177.4	180	-171.1	0	107.7	H109 E110 E223	H109-K220 VanDerWaalsContact CE1-CB 3.45Å; H109-K220 WeakPolarHBondContact CE1-CB 3.29Å; H109-K220 WeakPolarHBondContact CE1-CD 3.41Å; H109-K220 WeakPolarHBondContact NE2-CD 3.29Å; E110-K220 PolarHBondContact OE2-N 2.82Å; K220-E223 WeakPolarHBondContact CE-OE1 3.3Å; K220-E223 IonicContact NZ-OE1 2.69Å; K220-E223 PolarHBondContact NZ-OE1 3.41Å; K220-E223 IonicContact NZ-OE2 2.99Å; K220-E223 PolarHBondContact NZ-OE2 2.9Å
221	A	80.1	Confident	68.8	Low	60 Å²	60	87.5 Å²	87.5	50%	0.496	47%	0.471	S	S	.	.			trans	-54.7	140.7	167.9	0	0	0	0	0	108.5	E223	A221-E223 PolarHBondContact O-N 2.87Å
222	P	74.4	Confident	66.1	Low	89 Å²	89	89.8 Å²	89.8	58%	0.578	50%	0.502	S	S	*	.			trans	-55.5	115.9	172.1	22.6	-29.7	0	0	0	107.1	E224	P222-E224 PolarHBondContact O-N 2.94Å
223	E	60	Low	63	Low	101 Å²	101	92.3 Å²	92.3	47%	0.472	53%	0.529	S	S	.	.			trans	-57.7	120.6	178.4	-67.9	-165.3	140.4	0	0	107.6	K220 A221 N225 E226	K220-E223 WeakPolarHBondContact CE-OE1 3.3Å; K220-E223 IonicContact NZ-OE1 2.69Å; K220-E223 PolarHBondContact NZ-OE1 3.41Å; K220-E223 IonicContact NZ-OE2 2.99Å; K220-E223 PolarHBondContact NZ-OE2 2.9Å; A221-E223 PolarHBondContact O-N 2.87Å; E223-N225 PolarHBondContact O-N 3.11Å; E223-E226 WeakPolarHBondContact OE2-CG 2.9Å
224	E	41.1	Very low	60.7	Low	188 Å²	188	98 Å²	98	88%	0.879	57%	0.566	S	S	*	*	S	Bend	trans	-62.3	91.3	167.5	-74.7	-174.3	162	0	0	107	P222	P222-E224 PolarHBondContact O-N 2.94Å
225	N	35.8	Very low	58.2	Low	146 Å²	146	103.4 Å²	103.4	78%	0.781	60%	0.597	S	S	*	*			trans	59.5	84.8	173.3	-47.3	-56.1	0	0	0	115.1	E223 P227	E223-N225 PolarHBondContact O-N 3.11Å; N225-P227 WeakPolarHBondContact O-CD 3.28Å
226	E	31.5	Very low	55.9	Low	138 Å²	138	103.8 Å²	103.8	65%	0.645	61%	0.608	S	S	*	*			trans	-62.3	117.8	138	-84.1	-70.1	136.1	0	0	106.5	E223 T228	E223-E226 WeakPolarHBondContact OE2-CG 2.9Å; E226-T228 PolarHBondContact O-N 2.96Å
227	P	34	Very low	53.6	Low	103 Å²	103	109.8 Å²	109.8	67%	0.669	64%	0.636	S	S	*	*			trans	-65.8	105.9	178.3	26.8	-30.9	0	0	0	107.1	N225 Q229	N225-P227 WeakPolarHBondContact O-CD 3.28Å; P227-Q229 PolarHBondContact O-N 2.99Å
228	T	30.1	Very low	51.5	Low	111 Å²	111	110.3 Å²	110.3	68%	0.681	64%	0.641	S	S	*	*			trans	-37.7	116.3	154	-26.1	0	0	0	0	106.6	E226 L230	E226-T228 PolarHBondContact O-N 2.96Å; T228-L230 HydrophobicContact CG2-CD1 4.01Å; T228-L230 HydrophobicContact CG2-CG 4.29Å; T228-L230 PolarHBondContact O-N 2.89Å
229	Q	36.8	Very low	49.6	Very low	203 Å²	203	115 Å²	115	95%	0.949	67%	0.667	S	S	*	*			trans	-64	82.5	167.8	-70.4	-175.6	7.9	0	0	107	P227	P227-Q229 PolarHBondContact O-N 2.99Å
230	L	35.5	Very low	48.1	Very low	144 Å²	144	120.3 Å²	120.3	75%	0.754	69%	0.692	S	S	*	*			trans	-108.6	130.7	164.5	-87.2	160.1	0	0	0	105.8	T228	T228-L230 HydrophobicContact CG2-CD1 4.01Å; T228-L230 HydrophobicContact CG2-CG 4.29Å; T228-L230 PolarHBondContact O-N 2.89Å
231	E	36.8	Very low	47.6	Very low	193 Å²	193	121.4 Å²	121.4	90%	0.902	70%	0.703	S	S	*	*			trans	-50.2	141.7	-167.2	-58.6	-170.3	141.1	0	0	114.6
232	G	40.8	Very low	47.4	Very low	88 Å²	88	126.1 Å²	126.1	91%	0.907	72%	0.719	S	S	*	*			trans	9.3	107.4	157.7	0	0	0	0	0	119.1
233	G	29.8	Very low	47.8	Very low	54 Å²	54	129.3 Å²	129.3	56%	0.557	73%	0.726	S	S	*	*			trans	-135	134.3	153.5	0	0	0	0	0	109.3	D235	G233-D235 PolarHBondContact O-N 2.69Å
234	P	47.7	Very low	48.9	Very low	130 Å²	130	128.5 Å²	128.5	84%	0.844	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	80.8	-167.1	35.2	-32.2	0	0	0	110.2
235	D	44.7	Very low	50.9	Low	165 Å²	165	122.8 Å²	122.8	88%	0.882	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-149.3	12.1	164.8	-101.9	-22.5	0	0	0	114.2	G233	G233-D235 PolarHBondContact O-N 2.69Å
236	S	46.2	Very low	53.4	Low	110 Å²	110	125.2 Å²	125.2	77%	0.769	70%	0.703	S	S	*	*			trans	-103.7	58.3	169.5	65.3	0	0	0	0	111.1	G238	S236-G238 PolarHBondContact O-N 2.89Å
237	L	46.1	Very low	56.2	Low	146 Å²	146	125.6 Å²	125.6	76%	0.764	70%	0.702	S	S	*	*			trans	-77.4	83.5	161.3	-79.5	167.3	0	0	0	107.9
238	G	49.9	Very low	58.7	Low	51 Å²	51	122.6 Å²	122.6	53%	0.526	69%	0.686	S	S	.	*			trans	-52.3	155.5	158.2	0	0	0	0	0	109.5	S236 E240	S236-G238 PolarHBondContact O-N 2.89Å; G238-E240 VanDerWaalsContact C-N 3.26Å; G238-E240 WeakPolarHBondContact O-CG 3.26Å; G238-E240 PolarHBondContact O-N 2.97Å
239	L	57.1	Low	61.5	Low	106 Å²	106	123.6 Å²	123.6	56%	0.555	68%	0.683	S	S	*	*			trans	-63.5	82.4	-176.6	-67.7	112.2	0	0	0	111.7	T241 N244 A248	L239-T241 PolarHBondContact O-N 3.18Å; L239-N244 HydrophobicContact CB-CB 4.46Å; L239-N244 HydrophobicContact CD2-CB 3.92Å; L239-N244 VanDerWaalsContact CD2-O 3.27Å; L239-N244 WeakPolarHBondContact CD2-O 3.33Å; L239-A248 HydrophobicContact CD2-CB 3.6Å
240	E	62.3	Low	64.2	Low	157 Å²	157	120.3 Å²	120.3	73%	0.734	67%	0.666	S	S	*	*			trans	-73.6	-10.5	-173.6	-79.2	177	176.6	0	0	113.4	G238	G238-E240 VanDerWaalsContact C-N 3.26Å; G238-E240 WeakPolarHBondContact O-CG 3.26Å; G238-E240 PolarHBondContact O-N 2.97Å
241	T	78.1	Confident	67	Low	67 Å²	67	119.7 Å²	119.7	41%	0.411	66%	0.659	S	S	.	*	S	Bend	trans	-123.4	141.2	179.9	67.8	0	0	0	0	111.9	L239 E243 N244 C245	L239-T241 PolarHBondContact O-N 3.18Å; T241-E243 PolarHBondContact O-N 2.72Å; T241-E243 VanDerWaalsContact O-N 3.07Å; T241-N244 PolarHBondContact O-N 3.17Å; T241-N244 VanDerWaalsContact O-N 3.1Å; T241-N244 WeakPolarHBondContact OG1-CB 3.42Å; T241-N244 PolarHBondContact OG1-N 3.02Å; T241-N244 PolarHBondContact OG1-ND2 2.84Å; T241-C245 PolarHBondContact O-N 2.71Å
242	L	76.6	Confident	69.6	Low	159 Å²	159	115.4 Å²	115.4	83%	0.832	64%	0.641	S	S	*	*	H	α-helix	trans	-51.9	-30.1	172.9	-97.7	162.3	0	0	0	112.4	R246	L242-R246 WeakPolarHBondContact O-CB 3.31Å; L242-R246 PolarHBondContact O-N 2.67Å
243	E	82.3	Confident	71.9	Confident	155 Å²	155	113.4 Å²	113.4	72%	0.724	61%	0.614	S	S	*	*	H	α-helix	trans	-75.6	-41.3	-178.5	-151	145.1	-141.8	0	0	112.1	T241 C245 R246 K247	T241-E243 PolarHBondContact O-N 2.72Å; T241-E243 VanDerWaalsContact O-N 3.07Å; E243-C245 VanDerWaalsContact C-N 3.33Å; E243-R246 PolarHBondContact O-N 3.39Å; E243-K247 WeakPolarHBondContact O-CB 3.14Å; E243-K247 PolarHBondContact O-N 3.45Å
244	N	82.7	Confident	75.1	Confident	85 Å²	85	117.2 Å²	117.2	46%	0.455	62%	0.615	S	S	.	*	H	α-helix	trans	-62.8	-42.6	171.2	-72.3	-9.7	0	0	0	110.4	L239 T241 R246 K247 A248	L239-N244 HydrophobicContact CB-CB 4.46Å; L239-N244 HydrophobicContact CD2-CB 3.92Å; L239-N244 VanDerWaalsContact CD2-O 3.27Å; L239-N244 WeakPolarHBondContact CD2-O 3.33Å; T241-N244 PolarHBondContact O-N 3.17Å; T241-N244 VanDerWaalsContact O-N 3.1Å; T241-N244 WeakPolarHBondContact OG1-CB 3.42Å; T241-N244 PolarHBondContact OG1-N 3.02Å; T241-N244 PolarHBondContact OG1-ND2 2.84Å; N244-R246 PolarHBondContact O-N 2.95Å; N244-K247 PolarHBondContact O-N 2.84Å; N244-A248 WeakPolarHBondContact O-CB 3.49Å; N244-A248 PolarHBondContact O-N 2.96Å
245	C	83.9	Confident	77.2	Confident	67 Å²	67	114.5 Å²	114.5	45%	0.453	59%	0.591	S	S	.	*	H	α-helix	trans	-59.9	-45.8	176.3	-174.2	0	0	0	0	112	T241 E243 K247 A248 H249	T241-C245 PolarHBondContact O-N 2.71Å; E243-C245 VanDerWaalsContact C-N 3.33Å; C245-K247 VanDerWaalsContact C-N 3.33Å; C245-K247 PolarHBondContact O-N 3.18Å; C245-A248 PolarHBondContact O-N 2.99Å; C245-H249 WeakPolarHBondContact O-CB 3.42Å; C245-H249 PolarHBondContact O-N 3.35Å
246	R	88.3	Confident	79.5	Confident	197 Å²	197	110.1 Å²	110.1	74%	0.743	57%	0.567	S	S	*	*	H	α-helix	trans	-62.8	-38.7	176.3	-177.8	178.8	-90.2	169.6	-6.7	112.1	L242 E243 N244 K250	L242-R246 WeakPolarHBondContact O-CB 3.31Å; L242-R246 PolarHBondContact O-N 2.67Å; E243-R246 PolarHBondContact O-N 3.39Å; N244-R246 PolarHBondContact O-N 2.95Å; R246-K250 WeakPolarHBondContact O-CB 3.12Å; R246-K250 PolarHBondContact O-N 3.33Å
247	K	91.3	Very high	81.7	Confident	147 Å²	147	112.6 Å²	112.6	64%	0.639	56%	0.563	S	S	*	*	H	α-helix	trans	-66.3	-48.5	177.2	-171.1	-179.7	176	-172.9	0	111.3	E243 N244 C245 H249 K250 E251	E243-K247 WeakPolarHBondContact O-CB 3.14Å; E243-K247 PolarHBondContact O-N 3.45Å; N244-K247 PolarHBondContact O-N 2.84Å; C245-K247 VanDerWaalsContact C-N 3.33Å; C245-K247 PolarHBondContact O-N 3.18Å; K247-H249 VanDerWaalsContact C-N 3.34Å; K247-H249 PolarHBondContact O-N 3.05Å; K247-K250 WeakPolarHBondContact O-CB 3.43Å; K247-K250 PolarHBondContact O-N 3.1Å; K247-K250 VanDerWaalsContact O-N 3.15Å; K247-E251 PolarHBondContact O-N 3.34Å
248	A	86.1	Confident	84	Confident	40 Å²	40	112.2 Å²	112.2	33%	0.331	55%	0.552	S	S	.	*	H	α-helix	trans	-60.9	-42.3	176.7	0	0	0	0	0	111.8	L239 N244 C245 K250 E251 L252	L239-A248 HydrophobicContact CD2-CB 3.6Å; N244-A248 WeakPolarHBondContact O-CB 3.49Å; N244-A248 PolarHBondContact O-N 2.96Å; C245-A248 PolarHBondContact O-N 2.99Å; A248-K250 VanDerWaalsContact C-N 3.32Å; A248-K250 PolarHBondContact O-N 3.23Å; A248-E251 PolarHBondContact O-N 3.22Å; A248-L252 VanDerWaalsContact O-CB 3.29Å; A248-L252 WeakPolarHBondContact O-CB 3.44Å; A248-L252 PolarHBondContact O-N 3.46Å
249	H	89.1	Confident	85.9	Confident	131 Å²	131	113.5 Å²	113.5	61%	0.606	55%	0.546	S	S	*	.	H	α-helix	trans	-61.7	-40.1	175.2	-175.4	-91	0	0	0	112.1	C245 K247 S253	C245-H249 WeakPolarHBondContact O-CB 3.42Å; C245-H249 PolarHBondContact O-N 3.35Å; K247-H249 VanDerWaalsContact C-N 3.34Å; K247-H249 PolarHBondContact O-N 3.05Å; H249-S253 VanDerWaalsContact O-CB 3.31Å; H249-S253 WeakPolarHBondContact O-CB 3.37Å; H249-S253 PolarHBondContact O-N 2.92Å
250	K	94	Very high	87.4	Confident	135 Å²	135	111.3 Å²	111.3	59%	0.587	53%	0.532	S	S	*	.	H	α-helix	trans	-64.9	-41.1	176	-171	176.7	-177.3	177.3	0	111.4	R246 K247 A248 S253 K254	R246-K250 WeakPolarHBondContact O-CB 3.12Å; R246-K250 PolarHBondContact O-N 3.33Å; K247-K250 WeakPolarHBondContact O-CB 3.43Å; K247-K250 PolarHBondContact O-N 3.1Å; K247-K250 VanDerWaalsContact O-N 3.15Å; A248-K250 VanDerWaalsContact C-N 3.32Å; A248-K250 PolarHBondContact O-N 3.23Å; K250-S253 PolarHBondContact O-N 3.03Å; K250-S253 PolarHBondContact O-OG 3.08Å; K250-K254 WeakPolarHBondContact O-CG 3.29Å; K250-K254 PolarHBondContact O-N 3.14Å
251	E	94.1	Very high	88.7	Confident	131 Å²	131	105.4 Å²	105.4	61%	0.612	51%	0.514	S	S	*	.	H	α-helix	trans	-68.1	-46.9	179.1	-161.1	151.4	-142.3	0	0	111.6	K247 A248 S253 K254 E255	K247-E251 PolarHBondContact O-N 3.34Å; A248-E251 PolarHBondContact O-N 3.22Å; E251-S253 VanDerWaalsContact C-N 3.3Å; E251-S253 PolarHBondContact O-N 3.01Å; E251-K254 WeakPolarHBondContact O-CB 3.44Å; E251-K254 PolarHBondContact O-N 2.82Å; E251-K254 VanDerWaalsContact O-N 3.1Å; E251-E255 PolarHBondContact O-N 2.95Å
252	L	90.3	Very high	89.2	Confident	103 Å²	103	105.3 Å²	105.3	54%	0.539	51%	0.51	S	S	.	.	H	α-helix	trans	-56.7	-43	172.5	-175.6	67	0	0	0	111.8	A248 K254 E255 I256	A248-L252 VanDerWaalsContact O-CB 3.29Å; A248-L252 WeakPolarHBondContact O-CB 3.44Å; A248-L252 PolarHBondContact O-N 3.46Å; L252-K254 VanDerWaalsContact C-N 3.28Å; L252-K254 PolarHBondContact O-N 2.99Å; L252-E255 PolarHBondContact O-N 3.44Å; L252-I256 HydrophobicContact CD1-CD1 4.43Å; L252-I256 HydrophobicContact CG-CD1 3.99Å; L252-I256 VanDerWaalsContact O-CG1 3.31Å; L252-I256 WeakPolarHBondContact O-CG1 3.32Å; L252-I256 PolarHBondContact O-N 3.41Å
253	S	90.4	Very high	89.7	Confident	46 Å²	46	100.4 Å²	100.4	32%	0.322	49%	0.485	S	S	.	.	H	α-helix	trans	-63.7	-32.6	178.9	79.2	0	0	0	0	113.3	H249 K250 E251 K257	H249-S253 VanDerWaalsContact O-CB 3.31Å; H249-S253 WeakPolarHBondContact O-CB 3.37Å; H249-S253 PolarHBondContact O-N 2.92Å; K250-S253 PolarHBondContact O-N 3.03Å; K250-S253 PolarHBondContact O-OG 3.08Å; E251-S253 VanDerWaalsContact C-N 3.3Å; E251-S253 PolarHBondContact O-N 3.01Å; S253-K257 WeakPolarHBondContact O-CG 3.46Å; S253-K257 PolarHBondContact O-N 3.24Å
254	K	95	Very high	89.9	Confident	134 Å²	134	97.6 Å²	97.6	58%	0.583	48%	0.479	S	S	*	.	H	α-helix	trans	-71.7	-43.1	175.3	-71.5	174	177	-177	0	110.5	K250 E251 L252 K257 R258	K250-K254 WeakPolarHBondContact O-CG 3.29Å; K250-K254 PolarHBondContact O-N 3.14Å; E251-K254 WeakPolarHBondContact O-CB 3.44Å; E251-K254 PolarHBondContact O-N 2.82Å; E251-K254 VanDerWaalsContact O-N 3.1Å; L252-K254 VanDerWaalsContact C-N 3.28Å; L252-K254 PolarHBondContact O-N 2.99Å; K254-K257 WeakPolarHBondContact O-CB 3.44Å; K254-K257 PolarHBondContact O-N 3.15Å; K254-K257 VanDerWaalsContact O-N 3.14Å; K254-R258 PolarHBondContact O-N 3.39Å
255	E	93.6	Very high	90.1	Very high	73 Å²	73	100.7 Å²	100.7	34%	0.341	49%	0.49	S	S	.	.	H	α-helix	trans	-66	-40.9	-179.9	-170.8	55.8	-158.5	0	0	111.7	E251 L252 K257 R258 L259	E251-E255 PolarHBondContact O-N 2.95Å; L252-E255 PolarHBondContact O-N 3.44Å; E255-K257 VanDerWaalsContact C-N 3.28Å; E255-K257 PolarHBondContact O-N 3.41Å; E255-R258 VanDerWaalsContact CD-NE 3.31Å; E255-R258 WeakPolarHBondContact O-CB 3.43Å; E255-R258 PolarHBondContact O-N 2.79Å; E255-R258 VanDerWaalsContact O-N 3.11Å; E255-R258 IonicContact OE1-CZ 3.2Å; E255-R258 IonicContact OE1-NE 2.89Å; E255-R258 PolarHBondContact OE1-NE 2.9Å; E255-R258 IonicContact OE1-NH2 3.85Å; E255-R258 PolarHBondContact OE1-NH2 2.88Å; E255-R258 IonicContact OE2-CZ 3.92Å; E255-R258 IonicContact OE2-NE 2.96Å; E255-R258 PolarHBondContact OE2-NE 3.32Å; E255-L259 HydrophobicContact CG-CD1 4.2Å; E255-L259 HydrophobicContact CG-CG 4.49Å; E255-L259 WeakPolarHBondContact O-CG 3.46Å; E255-L259 PolarHBondContact O-N 3.08Å
256	I	91.5	Very high	90.3	Very high	73 Å²	73	103.8 Å²	103.8	37%	0.374	50%	0.498	S	S	.	.	H	α-helix	trans	-57.9	-41.4	171.8	-70.6	170	0	0	0	111.1	L252 K260	L252-I256 HydrophobicContact CD1-CD1 4.43Å; L252-I256 HydrophobicContact CG-CD1 3.99Å; L252-I256 VanDerWaalsContact O-CG1 3.31Å; L252-I256 WeakPolarHBondContact O-CG1 3.32Å; L252-I256 PolarHBondContact O-N 3.41Å; I256-K260 HydrophobicContact CG2-CD 3.95Å; I256-K260 HydrophobicContact CG2-CG 4.47Å; I256-K260 WeakPolarHBondContact O-CB 3.41Å; I256-K260 WeakPolarHBondContact O-CG 3.31Å; I256-K260 PolarHBondContact O-N 3.02Å
257	K	92.1	Very high	89.9	Confident	161 Å²	161	97.3 Å²	97.3	70%	0.7	49%	0.493	S	S	*	.	H	α-helix	trans	-65.7	-40.7	175.7	-77	179.2	179.8	-178.3	0	112.2	S253 K254 E255 K260 G261	S253-K257 WeakPolarHBondContact O-CG 3.46Å; S253-K257 PolarHBondContact O-N 3.24Å; K254-K257 WeakPolarHBondContact O-CB 3.44Å; K254-K257 PolarHBondContact O-N 3.15Å; K254-K257 VanDerWaalsContact O-N 3.14Å; E255-K257 VanDerWaalsContact C-N 3.28Å; E255-K257 PolarHBondContact O-N 3.41Å; K257-K260 PolarHBondContact O-N 3.04Å; K257-G261 PolarHBondContact O-N 2.72Å
258	R	94.7	Very high	89.4	Confident	138 Å²	138	94.7 Å²	94.7	52%	0.521	49%	0.485	S	S	.	.	H	α-helix	trans	-61.1	-50.6	177	-170.1	-173	78.9	92.7	1.4	111.3	K254 E255 K260 G261 L262	K254-R258 PolarHBondContact O-N 3.39Å; E255-R258 VanDerWaalsContact CD-NE 3.31Å; E255-R258 WeakPolarHBondContact O-CB 3.43Å; E255-R258 PolarHBondContact O-N 2.79Å; E255-R258 VanDerWaalsContact O-N 3.11Å; E255-R258 IonicContact OE1-CZ 3.2Å; E255-R258 IonicContact OE1-NE 2.89Å; E255-R258 PolarHBondContact OE1-NE 2.9Å; E255-R258 IonicContact OE1-NH2 3.85Å; E255-R258 PolarHBondContact OE1-NH2 2.88Å; E255-R258 IonicContact OE2-CZ 3.92Å; E255-R258 IonicContact OE2-NE 2.96Å; E255-R258 PolarHBondContact OE2-NE 3.32Å; R258-K260 VanDerWaalsContact C-N 3.34Å; R258-K260 PolarHBondContact O-N 3.15Å; R258-G261 PolarHBondContact O-N 2.98Å; R258-G261 VanDerWaalsContact O-N 3.14Å; R258-L262 PolarHBondContact O-N 3.25Å
259	L	91.3	Very high	88.8	Confident	79 Å²	79	98.7 Å²	98.7	41%	0.414	51%	0.507	S	S	.	.	H	α-helix	trans	-62.5	-41.3	179	-69	172.2	0	0	0	111.6	E255 G261 L262 L263	E255-L259 HydrophobicContact CG-CD1 4.2Å; E255-L259 HydrophobicContact CG-CG 4.49Å; E255-L259 WeakPolarHBondContact O-CG 3.46Å; E255-L259 PolarHBondContact O-N 3.08Å; L259-G261 VanDerWaalsContact C-N 3.31Å; L259-G261 PolarHBondContact O-N 3.4Å; L259-L262 PolarHBondContact O-N 2.69Å; L259-L263 VanDerWaalsContact O-CG 3.32Å; L259-L263 WeakPolarHBondContact O-CG 3.49Å; L259-L263 PolarHBondContact O-N 3.19Å
260	K	87.2	Confident	88.2	Confident	59 Å²	59	97.2 Å²	97.2	26%	0.257	50%	0.497	S	S	.	.	H	α-helix	trans	-60	-42.1	173.4	-75.7	176.5	174.4	179.1	0	112.3	I256 K257 R258 L263 T264 Y270	I256-K260 HydrophobicContact CG2-CD 3.95Å; I256-K260 HydrophobicContact CG2-CG 4.47Å; I256-K260 WeakPolarHBondContact O-CB 3.41Å; I256-K260 WeakPolarHBondContact O-CG 3.31Å; I256-K260 PolarHBondContact O-N 3.02Å; K257-K260 PolarHBondContact O-N 3.04Å; R258-K260 VanDerWaalsContact C-N 3.34Å; R258-K260 PolarHBondContact O-N 3.15Å; K260-L263 PolarHBondContact O-N 3.27Å; K260-T264 PolarHBondContact O-N 3.45Å; K260-T264 PolarHBondContact O-OG1 3.22Å; K260-Y270 HydrophobicContact CB-CE1 4.29Å; K260-Y270 HydrophobicContact CD-CE2 4Å; K260-Y270 VanDerWaalsContact CD-OH 3.29Å; K260-Y270 WeakPolarHBondContact CD-OH 3.44Å; K260-Y270 HydrophobicContact CG-CE1 4.08Å; K260-Y270 HydrophobicContact CG-CE2 3.89Å; K260-Y270 VanDerWaalsContact CG-OH 3.3Å; K260-Y270 WeakPolarHBondContact CG-OH 3.48Å
261	G	89.6	Confident	87.1	Confident	34 Å²	34	97.4 Å²	97.4	35%	0.351	51%	0.509	S	S	.	.	H	α-helix	trans	-58	-46.8	174.8	0	0	0	0	0	112.2	K257 R258 L259 T264 Q265	K257-G261 PolarHBondContact O-N 2.72Å; R258-G261 PolarHBondContact O-N 2.98Å; R258-G261 VanDerWaalsContact O-N 3.14Å; L259-G261 VanDerWaalsContact C-N 3.31Å; L259-G261 PolarHBondContact O-N 3.4Å; G261-T264 WeakPolarHBondContact CA-OG1 3.44Å; G261-T264 PolarHBondContact O-N 3.42Å; G261-T264 PolarHBondContact O-OG1 2.96Å; G261-Q265 WeakPolarHBondContact O-CB 3.27Å; G261-Q265 PolarHBondContact O-N 3.36Å
262	L	89.9	Confident	85.4	Confident	64 Å²	64	99.8 Å²	99.8	34%	0.335	51%	0.512	S	S	.	.	H	α-helix	trans	-61.9	-45.5	175.7	-71	172.1	0	0	0	112	R258 L259 T264 Q265 H266	R258-L262 PolarHBondContact O-N 3.25Å; L259-L262 PolarHBondContact O-N 2.69Å; L262-T264 VanDerWaalsContact C-N 3.32Å; L262-T264 PolarHBondContact O-N 3.03Å; L262-Q265 WeakPolarHBondContact O-CB 3.41Å; L262-Q265 PolarHBondContact O-N 3.48Å; L262-Q265 VanDerWaalsContact O-N 3.14Å; L262-H266 PolarHBondContact O-CD2 2.89Å; L262-H266 PolarHBondContact O-N 2.97Å
263	L	86.9	Confident	83.1	Confident	56 Å²	56	100.9 Å²	100.9	29%	0.293	53%	0.526	S	S	.	.	H	α-helix	trans	-60.6	-41.5	177.8	-69.5	170.1	0	0	0	111.8	L259 K260 H266 G267 I268 Y270	L259-L263 VanDerWaalsContact O-CG 3.32Å; L259-L263 WeakPolarHBondContact O-CG 3.49Å; L259-L263 PolarHBondContact O-N 3.19Å; K260-L263 PolarHBondContact O-N 3.27Å; L263-H266 CarbonylContact O-C 3.55Å; L263-H266 PolarHBondContact O-N 3.28Å; L263-G267 PolarHBondContact O-N 3.22Å; L263-G267 VanDerWaalsContact O-N 3.1Å; L263-I268 HydrophobicContact CD2-CB 3.95Å; L263-I268 HydrophobicContact CD2-CD1 4.03Å; L263-I268 HydrophobicContact CD2-CG2 3.97Å; L263-I268 PolarHBondContact O-N 3.29Å; L263-Y270 HydrophobicContact CB-CD1 3.98Å; L263-Y270 HydrophobicContact CB-CE1 4.31Å; L263-Y270 HydrophobicContact CD1-CD1 3.85Å; L263-Y270 HydrophobicContact CD1-CE1 4.48Å; L263-Y270 HydrophobicContact CD1-CG 4.18Å
264	T	85.8	Confident	80.5	Confident	97 Å²	97	105.1 Å²	105.1	60%	0.595	55%	0.55	S	S	*	*	H	α-helix	trans	-66.7	-37.2	173.5	35.9	0	0	0	0	113.2	K260 G261 L262 H266 G267	K260-T264 PolarHBondContact O-N 3.45Å; K260-T264 PolarHBondContact O-OG1 3.22Å; G261-T264 WeakPolarHBondContact CA-OG1 3.44Å; G261-T264 PolarHBondContact O-N 3.42Å; G261-T264 PolarHBondContact O-OG1 2.96Å; L262-T264 VanDerWaalsContact C-N 3.32Å; L262-T264 PolarHBondContact O-N 3.03Å; T264-H266 VanDerWaalsContact C-N 3.27Å; T264-H266 PolarHBondContact O-N 2.75Å; T264-G267 PolarHBondContact O-N 3.33Å
265	Q	87.6	Confident	77.6	Confident	149 Å²	149	107.4 Å²	107.4	70%	0.696	56%	0.563	S	S	*	*	H	α-helix	trans	-65	-33.6	177.4	-173.4	176.8	3.8	0	0	111.9	G261 L262	G261-Q265 WeakPolarHBondContact O-CB 3.27Å; G261-Q265 PolarHBondContact O-N 3.36Å; L262-Q265 WeakPolarHBondContact O-CB 3.41Å; L262-Q265 PolarHBondContact O-N 3.48Å; L262-Q265 VanDerWaalsContact O-N 3.14Å
266	H	87.3	Confident	74.9	Confident	132 Å²	132	110.7 Å²	110.7	61%	0.611	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.3	5.4	177.7	-68.8	-70.8	0	0	0	114	L262 L263 T264 I268	L262-H266 PolarHBondContact O-CD2 2.89Å; L262-H266 PolarHBondContact O-N 2.97Å; L263-H266 CarbonylContact O-C 3.55Å; L263-H266 PolarHBondContact O-N 3.28Å; T264-H266 VanDerWaalsContact C-N 3.27Å; T264-H266 PolarHBondContact O-N 2.75Å; H266-I268 VanDerWaalsContact C-N 3.26Å; H266-I268 HydrophobicContact CB-CD1 4.04Å; H266-I268 HydrophobicContact CB-CG1 4.14Å; H266-I268 PolarHBondContact O-N 3.06Å
267	G	80.9	Confident	72	Confident	62 Å²	62	112.3 Å²	112.3	64%	0.639	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	66.4	23	177	0	0	0	0	0	114.7	L263 T264 P269	L263-G267 PolarHBondContact O-N 3.22Å; L263-G267 VanDerWaalsContact O-N 3.1Å; T264-G267 PolarHBondContact O-N 3.33Å; G267-P269 WeakPolarHBondContact O-CD 3.43Å
268	I	80.3	Confident	69.2	Low	92 Å²	92	109.3 Å²	109.3	47%	0.472	61%	0.605	S	S	.	*			trans	-88.5	114.8	-177	-58.7	172	0	0	0	109.1	L263 H266 Y270	L263-I268 HydrophobicContact CD2-CB 3.95Å; L263-I268 HydrophobicContact CD2-CD1 4.03Å; L263-I268 HydrophobicContact CD2-CG2 3.97Å; L263-I268 PolarHBondContact O-N 3.29Å; H266-I268 VanDerWaalsContact C-N 3.26Å; H266-I268 HydrophobicContact CB-CD1 4.04Å; H266-I268 HydrophobicContact CB-CG1 4.14Å; H266-I268 PolarHBondContact O-N 3.06Å; I268-Y270 PolarHBondContact O-N 3.1Å
269	P	73.6	Confident	66.4	Low	124 Å²	124	110.5 Å²	110.5	81%	0.805	62%	0.621	S	S	*	*			trans	-69.9	130.6	178.4	27.5	-32	0	0	0	110.8	G267	G267-P269 WeakPolarHBondContact O-CD 3.43Å
270	Y	76	Confident	63.4	Low	99 Å²	99	116.2 Å²	116.2	39%	0.388	65%	0.646	S	S	.	*			trans	-129.3	133.2	172.2	71.7	-89.9	0	0	0	110.5	K260 L263 I268	K260-Y270 HydrophobicContact CB-CE1 4.29Å; K260-Y270 HydrophobicContact CD-CE2 4Å; K260-Y270 VanDerWaalsContact CD-OH 3.29Å; K260-Y270 WeakPolarHBondContact CD-OH 3.44Å; K260-Y270 HydrophobicContact CG-CE1 4.08Å; K260-Y270 HydrophobicContact CG-CE2 3.89Å; K260-Y270 VanDerWaalsContact CG-OH 3.3Å; K260-Y270 WeakPolarHBondContact CG-OH 3.48Å; L263-Y270 HydrophobicContact CB-CD1 3.98Å; L263-Y270 HydrophobicContact CB-CE1 4.31Å; L263-Y270 HydrophobicContact CD1-CD1 3.85Å; L263-Y270 HydrophobicContact CD1-CE1 4.48Å; L263-Y270 HydrophobicContact CD1-CG 4.18Å; I268-Y270 PolarHBondContact O-N 3.1Å
271	V	71	Confident	60.7	Low	139 Å²	139	121.6 Å²	121.6	84%	0.842	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-100.7	141.2	179.5	-179.8	0	0	0	0	109.3
272	R	58.7	Low	57.7	Low	181 Å²	181	128.3 Å²	128.3	68%	0.683	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-79.4	135.5	171.5	-70.6	-174.5	-161.7	-178.7	5.6	110.1	T274	R272-T274 PolarHBondContact O-N 3.07Å
273	P	41.3	Very low	54.7	Low	126 Å²	126	128.8 Å²	128.8	82%	0.818	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-66.1	120.9	155.3	-9.9	26	0	0	0	107.6
274	T	36.2	Very low	52.2	Low	136 Å²	136	134.9 Å²	134.9	83%	0.834	75%	0.745	S	S	*	*			trans	-93.7	108.3	175.8	-39.9	0	0	0	0	108	R272	R272-T274 PolarHBondContact O-N 3.07Å
275	E	34.5	Very low	49.5	Very low	181 Å²	181	139.9 Å²	139.9	85%	0.846	76%	0.758	S	S	*	*			trans	-83.4	138.5	161.8	-73.6	-175	166.6	0	0	109.9
276	T	37.5	Very low	46.8	Very low	143 Å²	143	139.1 Å²	139.1	88%	0.877	76%	0.764	S	S	*	*			trans	-45.9	141.5	-179.1	25.5	0	0	0	0	116.9
277	S	30.3	Very low	44.2	Very low	106 Å²	106	138.6 Å²	138.6	74%	0.741	77%	0.773	S	S	*	*			trans	-156.1	115.9	145.8	-172.6	0	0	0	0	112
278	S	32.2	Very low	41.8	Very low	98 Å²	98	147.5 Å²	147.5	69%	0.685	79%	0.787	S	S	*	*				55.5	118.8	129.7	-32.7	0	0	0	0	121.9
279	L	35.5	Very low	39.5	Very low	163 Å²	163	147.9 Å²	147.9	85%	0.853	80%	0.803	S	S	*	*				25.9	107.9	124.3	-89	149.7	0	0	0	117.5
280	E	29.9	Very low	38	Very low	200 Å²	200	151.5 Å²	151.5	94%	0.935	81%	0.806	S	S	*	*				-155	143.2	126.1	-111.8	178.9	-166.9	0	0	111.7
281	H	29.4	Very low	36.3	Very low	172 Å²	172	152.3 Å²	152.3	80%	0.796	82%	0.824	S	S	*	*			trans	-73.7	139.9	-174.2	-122.7	68.6	0	0	0	111.9
282	L	27.9	Very low	34.7	Very low	175 Å²	175	151.7 Å²	151.7	92%	0.916	82%	0.823	S	S	*	*				163.9	132.6	122.5	-101.9	134.6	0	0	0	112.2
283	G	27.1	Very low	33.7	Very low	73 Å²	73	152.1 Å²	152.1	75%	0.753	83%	0.833	S	S	*	*			trans	136.8	79.6	151.1	0	0	0	0	0	116.3	K285	G283-K285 PolarHBondContact O-N 3.2Å
284	H	32.6	Very low	33.8	Very low	184 Å²	184	157.6 Å²	157.6	85%	0.852	84%	0.837	S	S	*	*			trans	-43.1	128.7	162	-88.5	-65.8	0	0	0	113.7
285	K	29.4	Very low	34	Very low	202 Å²	202	159.6 Å²	159.6	88%	0.878	84%	0.842	S	S	*	*			trans	-149	112.9	135.6	-75.9	-163.1	179.9	172.6	0	110.7	G283	G283-K285 PolarHBondContact O-N 3.2Å
286	T	31.7	Very low	34.4	Very low	133 Å²	133	162.1 Å²	162.1	82%	0.816	84%	0.844	S	S	*	*	P	Polyproline II helix	trans	-80.7	130.4	169.5	-1.6	0	0	0	0	110.2
287	P	32	Very low	34.4	Very low	122 Å²	122	158.6 Å²	158.6	79%	0.792	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-95.6	132.6	158.5	-7.4	26.9	0	0	0	111.1
288	R	30	Very low	35	Very low	249 Å²	249	161 Å²	161	94%	0.94	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-54	127.4	179.8	-146.3	173.5	-174.5	179.1	0.4	112.3
289	A	33.3	Very low	35.7	Very low	99 Å²	99	162.1 Å²	162.1	82%	0.818	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-70.5	133.4	170.7	0	0	0	0	0	111.4
290	K	40.7	Very low	35.8	Very low	200 Å²	200	157.9 Å²	157.9	87%	0.87	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-94.5	151.1	161.9	-88	-177.1	175.9	-179.3	0	109.3
291	P	40.3	Very low	36.5	Very low	116 Å²	116	156.9 Å²	156.9	75%	0.753	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-76.5	161	-176.4	16.9	-5.6	0	0	0	112.4
292	P	39	Very low	37.1	Very low	127 Å²	127	160.7 Å²	160.7	83%	0.825	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-78.1	130.3	-170.6	31.2	-32.9	0	0	0	112
293	E	37.7	Very low	37.8	Very low	190 Å²	190	155.9 Å²	155.9	89%	0.888	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-81.9	125.7	170.3	-161.3	163.4	-167.2	0	0	109	L295	E293-L295 PolarHBondContact O-N 3.3Å
294	R	42.6	Very low	38.6	Very low	240 Å²	240	157.9 Å²	157.9	91%	0.906	84%	0.844	S	S	*	*			trans	-73.2	115.6	-179.7	-72.3	-177.3	173.6	-159.2	-1.3	109.7	R296	R294-R296 PolarHBondContact O-N 3.42Å
295	L	40.9	Very low	38.8	Very low	179 Å²	179	161 Å²	161	94%	0.937	87%	0.866	S	S	*	*			trans	-69.2	113.3	166	-71.4	166.4	0	0	0	109.1	E293	E293-L295 PolarHBondContact O-N 3.3Å
296	R	42.4	Very low	39.3	Very low	234 Å²	234	159 Å²	159	88%	0.883	87%	0.865	S	S	*	*	P	Polyproline II helix	trans	-79.9	120.1	174	-176.6	-177.3	-92	-140.1	-2.1	107.8	R294	R294-R296 PolarHBondContact O-N 3.42Å
297	G	38.2	Very low	39.7	Very low	69 Å²	69	160.3 Å²	160.3	71%	0.711	87%	0.867	S	S	*	*	P	Polyproline II helix	trans	-76.2	132.8	172.7	0	0	0	0	0	111.2
298	D	42.5	Very low	40.1	Very low	155 Å²	155	162.4 Å²	162.4	83%	0.829	87%	0.872	S	S	*	*	P	Polyproline II helix	trans	-78.4	132.6	170	-74.7	-33	0	0	0	110.3	G300	D298-G300 PolarHBondContact O-N 3.48Å
299	P	45.9	Very low	40.7	Very low	122 Å²	122	157.4 Å²	157.4	79%	0.792	87%	0.868	S	S	*	*			trans	-82.2	114.5	167.8	30.6	-28	0	0	0	109.6	L301	P299-L301 PolarHBondContact O-N 3.23Å
300	G	38.3	Very low	41.1	Very low	75 Å²	75	161 Å²	161	77%	0.773	87%	0.871	S	S	*	*			trans	-61.6	131.5	172.6	0	0	0	0	0	112.4	D298 R302	D298-G300 PolarHBondContact O-N 3.48Å; G300-R302 PolarHBondContact O-N 3.33Å
301	L	43.9	Very low	41.2	Very low	179 Å²	179	158.4 Å²	158.4	94%	0.937	87%	0.871	S	S	*	*			trans	-59.6	124.8	171.8	-81.9	144.1	0	0	0	111.2	P299 G303	P299-L301 PolarHBondContact O-N 3.23Å; L301-G303 PolarHBondContact O-N 3.36Å
302	R	43.8	Very low	41.2	Very low	251 Å²	251	161.4 Å²	161.4	95%	0.947	88%	0.879	S	S	*	*			trans	-71.5	114.3	162.9	-86.9	-176.9	172.8	-155.2	-2.2	109.1	G300	G300-R302 PolarHBondContact O-N 3.33Å
303	G	41.2	Very low	41.4	Very low	75 Å²	75	164.1 Å²	164.1	77%	0.773	88%	0.883	S	S	*	*			trans	-89.3	132.9	160.7	0	0	0	0	0	110	L301	L301-G303 PolarHBondContact O-N 3.36Å
304	S	43.8	Very low	41.7	Very low	115 Å²	115	161.9 Å²	161.9	80%	0.804	88%	0.883	S	S	*	*			trans	-70.2	132.5	179	46.3	0	0	0	0	113.7
305	L	37.1	Very low	41.6	Very low	249 Å²	249	154.8 Å²	154.8	100%	1.304	88%	0.881	S	S	*	*			trans	-163.4	0	131.7	-101.1	158.5	0	0	0	108.6

Retrieved 305 of 305 residues in 123.2 ms (Link to these results)

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